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C[C@H](C(=O)[O-])[NH+]1CCN([C@H]2CCCC(C)(C)C2)CC1 ZINC000086753931 184612346 /nfs/dbraw/zinc/61/23/46/184612346.db2.gz JFDIZRXQFXJSKU-OLZOCXBDSA-N 0 2 268.401 2.046 10 0 CEAELN O=C([O-])c1cccc(N[C@H]2CCN(c3ccccc3)C2)[nH+]1 ZINC000263442503 154088192 /nfs/dbraw/zinc/08/81/92/154088192.db2.gz XMWMEIVFSBYPGS-LBPRGKRZSA-N 0 2 283.331 2.471 10 0 CEAELN COC[C@H](C)n1c(=O)c2ccsc2[nH]c1=S ZINC000021949186 171338947 /nfs/dbraw/zinc/33/89/47/171338947.db2.gz HTUOBUDCUFERJM-LURJTMIESA-N 0 2 256.352 2.328 10 0 CEAELN Nc1cc(NS(=O)(=O)c2cccs2)ccc1F ZINC000022145562 171356223 /nfs/dbraw/zinc/35/62/23/171356223.db2.gz WTPHFCKVEZTPEC-UHFFFAOYSA-N 0 2 272.326 2.270 10 0 CEAELN COc1cc(OC)c([NH2+]C[C@H](C)C(=O)[O-])cc1Cl ZINC000035757817 172397804 /nfs/dbraw/zinc/39/78/04/172397804.db2.gz LQWYSUGUBYSZOX-ZETCQYMHSA-N 0 2 273.716 2.490 10 0 CEAELN Cc1[nH+]c2cc(C(=O)[O-])ccc2n1Cc1cccnc1 ZINC000037309505 173112946 /nfs/dbraw/zinc/11/29/46/173112946.db2.gz XAQFLSJOVRHMSV-UHFFFAOYSA-N 0 2 267.288 2.486 10 0 CEAELN Cc1csc(CNCc2nc(=O)c3sccc3[nH]2)n1 ZINC000038091602 174105570 /nfs/dbraw/zinc/10/55/70/174105570.db2.gz YTTOVSGTLHDYGZ-UHFFFAOYSA-N 0 2 292.389 2.039 10 0 CEAELN C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1nnn[n-]1 ZINC000044922847 175276984 /nfs/dbraw/zinc/27/69/84/175276984.db2.gz VNRBRDGSFBUDDD-JGVFFNPUSA-N 0 2 296.172 2.374 10 0 CEAELN O=C(O)c1cn(Cc2ccncc2)c2ccccc2c1=O ZINC000071196911 176076871 /nfs/dbraw/zinc/07/68/71/176076871.db2.gz YXKLFBXVHPOEDG-UHFFFAOYSA-N 0 2 280.283 2.143 10 0 CEAELN CN(C)c1[nH+]cccc1NCc1ccc(C(=O)[O-])o1 ZINC000071381010 176145163 /nfs/dbraw/zinc/14/51/63/176145163.db2.gz HJKRIRBXVDLVHQ-UHFFFAOYSA-N 0 2 261.281 2.051 10 0 CEAELN CC(C)N(C(=O)C[N@H+]([C@@H](C)C(=O)[O-])C1CC1)C1CCCC1 ZINC000263120641 279274440 /nfs/dbraw/zinc/27/44/40/279274440.db2.gz MBAGKVCLJWAVHL-LBPRGKRZSA-N 0 2 296.411 2.104 10 0 CEAELN CC(C)N(C(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1)C1CCCC1 ZINC000263120641 279274444 /nfs/dbraw/zinc/27/44/44/279274444.db2.gz MBAGKVCLJWAVHL-LBPRGKRZSA-N 0 2 296.411 2.104 10 0 CEAELN CCNc1ncccc1S(=O)(=O)Nc1nc(C)cs1 ZINC000050635094 520382801 /nfs/dbraw/zinc/38/28/01/520382801.db2.gz RYQNHTNFINSVPR-UHFFFAOYSA-N 0 2 298.393 2.079 10 0 CEAELN CC[N@H+](Cc1nnc(-c2ccco2)o1)C(C)(C)C(=O)[O-] ZINC000061177710 521463439 /nfs/dbraw/zinc/46/34/39/521463439.db2.gz MBISTGNBQJGWOA-UHFFFAOYSA-N 0 2 279.296 2.015 10 0 CEAELN CC[N@@H+](Cc1nnc(-c2ccco2)o1)C(C)(C)C(=O)[O-] ZINC000061177710 521463444 /nfs/dbraw/zinc/46/34/44/521463444.db2.gz MBISTGNBQJGWOA-UHFFFAOYSA-N 0 2 279.296 2.015 10 0 CEAELN CCn1cc[nH+]c1CN(CC(=O)[O-])c1ccc(C)cc1 ZINC000054743764 523524291 /nfs/dbraw/zinc/52/42/91/523524291.db2.gz WHUNIQGMCMEHDM-UHFFFAOYSA-N 0 2 273.336 2.303 10 0 CEAELN Cc1cc(F)ccc1[C@@H]1[NH2+][C@@H](C(=O)[O-])CCS1 ZINC000050568788 525005730 /nfs/dbraw/zinc/00/57/30/525005730.db2.gz LFMUBDIYICFEKJ-GHMZBOCLSA-N 0 2 255.314 2.312 10 0 CEAELN O=C([O-])[C@@H]1CCS[C@@H](c2cccc3cccnc32)[NH2+]1 ZINC000069500345 526280245 /nfs/dbraw/zinc/28/02/45/526280245.db2.gz QXXKYPGKMOJFGG-AAEUAGOBSA-N 0 2 274.345 2.413 10 0 CEAELN O=C([O-])c1c[nH]c(Cc2ccc(F)cc2Cl)[nH+]1 ZINC000062608879 526341647 /nfs/dbraw/zinc/34/16/47/526341647.db2.gz RXGJQNOFBMDWML-UHFFFAOYSA-N 0 2 254.648 2.491 10 0 CEAELN Cc1nc(CNc2ccc([NH3+])cc2C(=O)[O-])cs1 ZINC000049540533 526897720 /nfs/dbraw/zinc/89/77/20/526897720.db2.gz HUSOSYMXVQPPJH-UHFFFAOYSA-N 0 2 263.322 2.344 10 0 CEAELN Cc1ccc([C@H](C)[NH2+]Cc2cc(C(=O)[O-])no2)o1 ZINC000235525272 625623752 /nfs/dbraw/zinc/62/37/52/625623752.db2.gz KFNYTJLVAYBLNM-QMMMGPOBSA-N 0 2 250.254 2.125 10 0 CEAELN Cc1csc(C(C#N)C(=O)[C@@H]2CCCO[C@H]2C)n1 ZINC000249126662 628719493 /nfs/dbraw/zinc/71/94/93/628719493.db2.gz VAPBVRKQUUGCFS-HBNTYKKESA-N 0 2 264.350 2.443 10 0 CEAELN Cc1csc([C@H](C#N)C(=O)[C@@H]2CCCO[C@H]2C)n1 ZINC000249126662 628719498 /nfs/dbraw/zinc/71/94/98/628719498.db2.gz VAPBVRKQUUGCFS-HBNTYKKESA-N 0 2 264.350 2.443 10 0 CEAELN Cc1cc(=O)c(O)nn1-c1cccc(C(F)(F)F)c1 ZINC000033893737 361784961 /nfs/dbraw/zinc/78/49/61/361784961.db2.gz WRKXBGZHBMGSON-UHFFFAOYSA-N 0 2 270.210 2.265 10 0 CEAELN Cc1ncsc1[C@@H]1[NH2+][C@@H](C(=O)[O-])C(C)(C)S1 ZINC000083243707 178366945 /nfs/dbraw/zinc/36/69/45/178366945.db2.gz CBZLPACOXSMYAD-JGVFFNPUSA-N 0 2 258.368 2.018 10 0 CEAELN O=C([O-])[C@H]([NH2+]CC(=O)c1ccccc1)c1ccccc1 ZINC000144276304 344407295 /nfs/dbraw/zinc/40/72/95/344407295.db2.gz PMTNEGOQVCCPPY-OAHLLOKOSA-N 0 2 269.300 2.285 10 0 CEAELN Oc1cc(F)cc(F)c1I ZINC000168356909 344480268 /nfs/dbraw/zinc/48/02/68/344480268.db2.gz INXIOQDRVFDMLV-UHFFFAOYSA-N 0 2 255.989 2.275 10 0 CEAELN CCOC(=O)c1c(C)[nH]c2cc3c(cc2c1=O)OCO3 ZINC000259656308 344650076 /nfs/dbraw/zinc/65/00/76/344650076.db2.gz IVBWYETTZYFESP-UHFFFAOYSA-N 0 2 275.260 2.154 10 0 CEAELN COc1cc2[nH]c([C@@H]3[C@H](C(=O)[O-])C3(C)C)[nH+]c2cc1OC ZINC000085404804 179053919 /nfs/dbraw/zinc/05/39/19/179053919.db2.gz YHAKLPKUJGGTNT-NWDGAFQWSA-N 0 2 290.319 2.404 10 0 CEAELN O=c1[nH]c(CC(F)(F)F)ncc1Br ZINC000085449390 179064874 /nfs/dbraw/zinc/06/48/74/179064874.db2.gz PCVIPOHGENVNFD-UHFFFAOYSA-N 0 2 257.009 2.050 10 0 CEAELN C[C@@H](O)CCNc1ccc2c(cccc2C(=O)[O-])[nH+]1 ZINC000086017073 179216338 /nfs/dbraw/zinc/21/63/38/179216338.db2.gz VWTOPWRVNKRWFX-SECBINFHSA-N 0 2 260.293 2.116 10 0 CEAELN COc1ccc([C@@H](CC(=O)[O-])[NH+]2CCOCC2)cc1Cl ZINC000086596579 179311117 /nfs/dbraw/zinc/31/11/17/179311117.db2.gz KVGJYBLNDMROOL-GFCCVEGCSA-N 0 2 299.754 2.197 10 0 CEAELN COc1ccc(C[C@H](C)[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000086774328 179326824 /nfs/dbraw/zinc/32/68/24/179326824.db2.gz ZISBYRBJLWIAOY-XUJVJEKNSA-N 0 2 277.364 2.279 10 0 CEAELN COc1ccc(C[C@H](C)[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000086774328 179326826 /nfs/dbraw/zinc/32/68/26/179326826.db2.gz ZISBYRBJLWIAOY-XUJVJEKNSA-N 0 2 277.364 2.279 10 0 CEAELN C[C@H](c1nc2ccccc2s1)[N@@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000086804889 179338800 /nfs/dbraw/zinc/33/88/00/179338800.db2.gz SRDICUUDTWOSNA-KOLCDFICSA-N 0 2 292.360 2.143 10 0 CEAELN C[C@H](c1nc2ccccc2s1)[N@H+]1CCO[C@H](C(=O)[O-])C1 ZINC000086804889 179338801 /nfs/dbraw/zinc/33/88/01/179338801.db2.gz SRDICUUDTWOSNA-KOLCDFICSA-N 0 2 292.360 2.143 10 0 CEAELN Cc1cc2ccccc2[nH+]c1N[C@@H]1COC[C@@]1(C)C(=O)[O-] ZINC000090571608 180007393 /nfs/dbraw/zinc/00/73/93/180007393.db2.gz GDWNQGXVWRUPTN-CZUORRHYSA-N 0 2 286.331 2.445 10 0 CEAELN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2n[nH]c(C)n2)cc1 ZINC000090621512 180014035 /nfs/dbraw/zinc/01/40/35/180014035.db2.gz QQPIEMHPTCEYFI-SECBINFHSA-N 0 2 294.380 2.427 10 0 CEAELN Cc1cc(NS(=O)(=O)c2ccc(C)cc2C)[nH]n1 ZINC000104437567 186002641 /nfs/dbraw/zinc/00/26/41/186002641.db2.gz PKZOOQIRQQMXPH-UHFFFAOYSA-N 0 2 265.338 2.136 10 0 CEAELN COC(=O)c1cc(NC2(C(=O)[O-])CCCCCC2)cc[nH+]1 ZINC000090736274 180034368 /nfs/dbraw/zinc/03/43/68/180034368.db2.gz RQHUKNWWWIPBAH-UHFFFAOYSA-N 0 2 292.335 2.458 10 0 CEAELN Cc1nc(SCc2c[nH+]cn2C)sc1C(=O)[O-] ZINC000091278214 180120950 /nfs/dbraw/zinc/12/09/50/180120950.db2.gz BQEDRPIYPGIRPH-UHFFFAOYSA-N 0 2 269.351 2.176 10 0 CEAELN Cn1c[nH+]cc1CSc1ccc(CC(=O)[O-])cc1 ZINC000091278215 180121386 /nfs/dbraw/zinc/12/13/86/180121386.db2.gz AFESTAICUKWQQQ-UHFFFAOYSA-N 0 2 262.334 2.340 10 0 CEAELN Cc1ccc(OCC2(O)CCCCC2)c(C(=O)[O-])[nH+]1 ZINC000091998249 180303021 /nfs/dbraw/zinc/30/30/21/180303021.db2.gz ZCCYQGLFLJLDFW-UHFFFAOYSA-N 0 2 265.309 2.162 10 0 CEAELN Cc1ccc(OC[C@@](C)(O)c2ccccc2)c(C(=O)[O-])[nH+]1 ZINC000091998248 180303164 /nfs/dbraw/zinc/30/31/64/180303164.db2.gz CHGMBSVHCJCYAZ-MRXNPFEDSA-N 0 2 287.315 2.375 10 0 CEAELN CCOC(OCC)C(=O)C=C(O)c1ccccc1 ZINC000106606398 186129581 /nfs/dbraw/zinc/12/95/81/186129581.db2.gz HCZKBOLBDQQGJW-UHFFFAOYSA-N 0 2 250.294 2.228 10 0 CEAELN COc1ccc(C)cc1C(=O)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000110965690 186337754 /nfs/dbraw/zinc/33/77/54/186337754.db2.gz KPQBUJJNRPTZDM-UHFFFAOYSA-N 0 2 286.287 2.349 10 0 CEAELN O=C([O-])c1cc(NC(=O)c2ccc(F)c(F)c2)cc[nH+]1 ZINC000110965474 186338220 /nfs/dbraw/zinc/33/82/20/186338220.db2.gz XHHOPDYHQAYVFT-UHFFFAOYSA-N 0 2 278.214 2.310 10 0 CEAELN O=C([O-])c1ccc2c(ccn2CCn2cc[nH+]c2)c1 ZINC000111288068 186391460 /nfs/dbraw/zinc/39/14/60/186391460.db2.gz GUHDCMUDHGVDNN-UHFFFAOYSA-N 0 2 255.277 2.236 10 0 CEAELN CC(C)(O)CNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000175958415 188974480 /nfs/dbraw/zinc/97/44/80/188974480.db2.gz YCGBNOOGPONQDA-UHFFFAOYSA-N 0 2 278.135 2.200 10 0 CEAELN O=c1[nH]c(=S)[nH]c2cc(Br)ccc12 ZINC000149462903 366588819 /nfs/dbraw/zinc/58/88/19/366588819.db2.gz MWLFDIWJPMQINL-UHFFFAOYSA-N 0 2 257.112 2.348 10 0 CEAELN O=C([O-])C[C@@H]1CSCCN1c1cn[nH+]c2ccccc21 ZINC000091130063 135067327 /nfs/dbraw/zinc/06/73/27/135067327.db2.gz USPJOQJWNYCVIX-SNVBAGLBSA-N 0 2 289.360 2.026 10 0 CEAELN O=C([O-])c1cccc(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)[nH+]1 ZINC000263402093 154075204 /nfs/dbraw/zinc/07/52/04/154075204.db2.gz JHHQNCONLGXNQH-BNOWGMLFSA-N 0 2 290.363 2.300 10 0 CEAELN C[C@@H]1C[C@@H](CNc2cccc(C(=O)[O-])[nH+]2)C[C@H](C)O1 ZINC000263415934 154080154 /nfs/dbraw/zinc/08/01/54/154080154.db2.gz NVPXHYVLCALPHS-JGPRNRPPSA-N 0 2 264.325 2.395 10 0 CEAELN CCC[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)C(=O)[O-] ZINC000263564710 154128766 /nfs/dbraw/zinc/12/87/66/154128766.db2.gz VBFOGCWYIZMVDB-LLVKDONJSA-N 0 2 278.356 2.132 10 0 CEAELN CCC[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)C(=O)[O-] ZINC000263564710 154128771 /nfs/dbraw/zinc/12/87/71/154128771.db2.gz VBFOGCWYIZMVDB-LLVKDONJSA-N 0 2 278.356 2.132 10 0 CEAELN COc1ccc(NS(=O)(=O)c2cccs2)c(N)c1 ZINC000022149927 171358254 /nfs/dbraw/zinc/35/82/54/171358254.db2.gz RLNSGURLNNQTBW-UHFFFAOYSA-N 0 2 284.362 2.140 10 0 CEAELN CC[N@@H+]1CCc2nc3cc(F)ccc3c(C(=O)[O-])c2C1 ZINC000022178260 171371599 /nfs/dbraw/zinc/37/15/99/171371599.db2.gz SCUAZYDGXAQGKW-UHFFFAOYSA-N 0 2 274.295 2.450 10 0 CEAELN CC[N@H+]1CCc2nc3cc(F)ccc3c(C(=O)[O-])c2C1 ZINC000022178260 171371600 /nfs/dbraw/zinc/37/16/00/171371600.db2.gz SCUAZYDGXAQGKW-UHFFFAOYSA-N 0 2 274.295 2.450 10 0 CEAELN CC(C)c1[nH+]c2cc(C(=O)[O-])ccc2n1CCCO ZINC000040402230 174253208 /nfs/dbraw/zinc/25/32/08/174253208.db2.gz PDNLNRKFNYUPIZ-UHFFFAOYSA-N 0 2 262.309 2.240 10 0 CEAELN CCC[C@@H](CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)n1cc[nH+]c1 ZINC000040490765 174291729 /nfs/dbraw/zinc/29/17/29/174291729.db2.gz NWCATBFGAGVUGK-DYEKYZERSA-N 0 2 295.383 2.230 10 0 CEAELN CCc1cc(NCc2cc(C(=O)[O-])c(C)o2)nc[nH+]1 ZINC000040764912 174397652 /nfs/dbraw/zinc/39/76/52/174397652.db2.gz AABWELTWDBIKQO-UHFFFAOYSA-N 0 2 261.281 2.251 10 0 CEAELN C[C@@H]([NH2+][C@H](C)c1nc2ccccc2s1)c1nnn[n-]1 ZINC000044888391 175271710 /nfs/dbraw/zinc/27/17/10/175271710.db2.gz PXIMRQPGVVSKJV-HTQZYQBOSA-N 0 2 274.353 2.221 10 0 CEAELN CCOc1ccc(-c2[nH]cc(CCC(=O)[O-])[nH+]2)cc1 ZINC000071586197 176212407 /nfs/dbraw/zinc/21/24/07/176212407.db2.gz QGHSPIDTIUXJGV-UHFFFAOYSA-N 0 2 260.293 2.493 10 0 CEAELN CCOc1ccc(-c2[nH]c(CCC(=O)[O-])c[nH+]2)cc1 ZINC000071586197 176212408 /nfs/dbraw/zinc/21/24/08/176212408.db2.gz QGHSPIDTIUXJGV-UHFFFAOYSA-N 0 2 260.293 2.493 10 0 CEAELN Nc1ccc(NS(=O)(=O)c2cccs2)cc1F ZINC000076414445 177021466 /nfs/dbraw/zinc/02/14/66/177021466.db2.gz NOMZZMKBLRSJNB-UHFFFAOYSA-N 0 2 272.326 2.270 10 0 CEAELN Cc1nc(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(C)c(C)[nH+]1 ZINC000263546286 302573274 /nfs/dbraw/zinc/57/32/74/302573274.db2.gz HEFWJMIQDZDMQN-SWLSCSKDSA-N 0 2 275.352 2.093 10 0 CEAELN CCCNc1ccc(S(=O)(=O)Nc2cnoc2)cc1 ZINC000061685943 520169668 /nfs/dbraw/zinc/16/96/68/520169668.db2.gz UTYMMZWOEDZUOI-UHFFFAOYSA-N 0 2 281.337 2.297 10 0 CEAELN CCNc1cc(S(=O)(=O)Nc2nc(C)cs2)ccn1 ZINC000050635106 520278585 /nfs/dbraw/zinc/27/85/85/520278585.db2.gz PDBMQAUYLMXLKD-UHFFFAOYSA-N 0 2 298.393 2.079 10 0 CEAELN CNc1ncccc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000050649186 522715525 /nfs/dbraw/zinc/71/55/25/522715525.db2.gz XLKVVTKBNDAPSS-UHFFFAOYSA-N 0 2 299.302 2.202 10 0 CEAELN CC[C@H](C)N(CCOC)c1cccc(C(=O)[O-])[nH+]1 ZINC000051067193 523939813 /nfs/dbraw/zinc/93/98/13/523939813.db2.gz WZBBZYWGUZTIJO-JTQLQIEISA-N 0 2 252.314 2.031 10 0 CEAELN C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C(=O)[O-])cc1F 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251.351 2.482 10 0 CEAELN COC[C@H](C)Nc1[nH+]c2ccccc2cc1C(=O)[O-] ZINC000071386638 176147914 /nfs/dbraw/zinc/14/79/14/176147914.db2.gz ZZHXYFAZROLMHD-VIFPVBQESA-N 0 2 260.293 2.380 10 0 CEAELN O=C(Nc1ccc(F)cc1)c1nn(-c2ccccc2)c(=O)[nH]1 ZINC000071528379 176194579 /nfs/dbraw/zinc/19/45/79/176194579.db2.gz XYHCGAQAULVBAY-UHFFFAOYSA-N 0 2 298.277 2.364 10 0 CEAELN C[C@@H](C(=O)[O-])[N@H+](Cc1ncccc1Cl)C1CC1 ZINC000530212765 298051647 /nfs/dbraw/zinc/05/16/47/298051647.db2.gz UKPGLLGUXUYILY-QMMMGPOBSA-N 0 2 254.717 2.173 10 0 CEAELN C[C@@H](C(=O)[O-])[N@@H+](Cc1ncccc1Cl)C1CC1 ZINC000530212765 298051649 /nfs/dbraw/zinc/05/16/49/298051649.db2.gz UKPGLLGUXUYILY-QMMMGPOBSA-N 0 2 254.717 2.173 10 0 CEAELN Cc1cc(C)cc(NC(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000263092540 301226257 /nfs/dbraw/zinc/22/62/57/301226257.db2.gz JAJVRNXQOPUMHQ-LBPRGKRZSA-N 0 2 290.363 2.179 10 0 CEAELN Cc1cc(C)cc(NC(=O)C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000263092540 301226261 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361724357 /nfs/dbraw/zinc/72/43/57/361724357.db2.gz XLYWPXDWRZQDPW-UHFFFAOYSA-N 0 2 269.098 2.114 10 0 CEAELN CC[C@@H](O)CN1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000174078757 367980150 /nfs/dbraw/zinc/98/01/50/367980150.db2.gz CNPLMBLYBPDZKU-OAHLLOKOSA-N 0 2 282.453 2.253 10 0 CEAELN Cc1cnn(CCNC(=O)c2cc(F)c(O)c(Cl)c2)c1 ZINC000189899508 369577076 /nfs/dbraw/zinc/57/70/76/369577076.db2.gz WUASGSYQMOWGGW-UHFFFAOYSA-N 0 2 297.717 2.120 10 0 CEAELN COC[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000643879183 373291242 /nfs/dbraw/zinc/29/12/42/373291242.db2.gz MGNSHRHHVIXGKY-AWEZNQCLSA-N 0 2 285.290 2.030 10 0 CEAELN COC[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000643879183 373291249 /nfs/dbraw/zinc/29/12/49/373291249.db2.gz MGNSHRHHVIXGKY-AWEZNQCLSA-N 0 2 285.290 2.030 10 0 CEAELN C[C@H]1C[C@H]1C1=NC(=O)C(c2cccc(F)c2)C(=O)N1 ZINC000093174635 184652636 /nfs/dbraw/zinc/65/26/36/184652636.db2.gz LHWTZHSXKHWQCT-OIBJUYFYSA-N 0 2 260.268 2.405 10 0 CEAELN O=C([O-])c1ccc2[nH]c(C[C@H]3CCCCO3)[nH+]c2c1 ZINC000095032158 184919275 /nfs/dbraw/zinc/91/92/75/184919275.db2.gz GFDLGPFYPBCCRM-SNVBAGLBSA-N 0 2 260.293 2.373 10 0 CEAELN C[C@@H]1C[NH+](Cc2csc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000652366356 401495639 /nfs/dbraw/zinc/49/56/39/401495639.db2.gz RRIJBEARFDCIMS-RKDXNWHRSA-N 0 2 255.339 2.056 10 0 CEAELN COc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1 ZINC000005733076 170134789 /nfs/dbraw/zinc/13/47/89/170134789.db2.gz YLQYOUPUVFQNLO-UHFFFAOYSA-N 0 2 260.245 2.043 10 0 CEAELN Cc1ccc(S(=O)(=O)Nc2cccc(N)c2)s1 ZINC000020254616 171108317 /nfs/dbraw/zinc/10/83/17/171108317.db2.gz IUJYTMVMFCFJPN-UHFFFAOYSA-N 0 2 268.363 2.440 10 0 CEAELN COc1cc(Cl)c(C)cc1N1C(=O)NC(=O)C1=O ZINC000037335121 173135932 /nfs/dbraw/zinc/13/59/32/173135932.db2.gz XCGMJMGMNANLJO-UHFFFAOYSA-N 0 2 268.656 2.080 10 0 CEAELN CCC[C@H](CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)n1cc[nH+]c1 ZINC000037448727 173216169 /nfs/dbraw/zinc/21/61/69/173216169.db2.gz NWCATBFGAGVUGK-SCRDCRAPSA-N 0 2 295.383 2.230 10 0 CEAELN CCCc1cc(NCCCCCC(=O)[O-])nc[nH+]1 ZINC000040765397 174397860 /nfs/dbraw/zinc/39/78/60/174397860.db2.gz OWPRZCPJLBRKHB-UHFFFAOYSA-N 0 2 251.330 2.486 10 0 CEAELN CCc1ccc(S(=O)(=O)Nc2ccc(N)nc2)s1 ZINC000042521010 174772605 /nfs/dbraw/zinc/77/26/05/174772605.db2.gz BPFMQJOIRMTMRF-UHFFFAOYSA-N 0 2 283.378 2.089 10 0 CEAELN Cc1c2ccccc2oc1[C@H](C)NCc1nn[nH]n1 ZINC000044928775 175279170 /nfs/dbraw/zinc/27/91/70/175279170.db2.gz NIRIIFYTJIIVRU-VIFPVBQESA-N 0 2 257.297 2.105 10 0 CEAELN O=C([O-])c1ccc2c(c1)[nH+]cn2C[C@H]1CCCOC1 ZINC000044982510 175283624 /nfs/dbraw/zinc/28/36/24/175283624.db2.gz FYHZBVHNXLPAAI-SNVBAGLBSA-N 0 2 260.293 2.161 10 0 CEAELN CCO[C@@H](CCn1cc[nH+]c1-c1ccccc1)C(=O)[O-] ZINC000062758140 520305080 /nfs/dbraw/zinc/30/50/80/520305080.db2.gz PWFOUJKSRISTFV-ZDUSSCGKSA-N 0 2 274.320 2.430 10 0 CEAELN CCO[C@H](CCn1cc[nH+]c1-c1ccccc1)C(=O)[O-] ZINC000062758141 520514410 /nfs/dbraw/zinc/51/44/10/520514410.db2.gz PWFOUJKSRISTFV-CYBMUJFWSA-N 0 2 274.320 2.430 10 0 CEAELN COCCn1c(CCCCC(=O)[O-])[nH+]c2ccccc21 ZINC000052125450 522063907 /nfs/dbraw/zinc/06/39/07/522063907.db2.gz QAOBOJSZIBUUKP-UHFFFAOYSA-N 0 2 276.336 2.480 10 0 CEAELN CCc1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@H]1CCOC1 ZINC000061147236 522482953 /nfs/dbraw/zinc/48/29/53/522482953.db2.gz SPWRFWZQLJNRHM-SNVBAGLBSA-N 0 2 274.320 2.333 10 0 CEAELN CNc1ccccc1S(=O)(=O)Nc1nc(C)c(C)s1 ZINC000050677365 522657839 /nfs/dbraw/zinc/65/78/39/522657839.db2.gz VNFHADPOIUIVIS-UHFFFAOYSA-N 0 2 297.405 2.024 10 0 CEAELN Cc1nc(N2CCC[C@H](C(=O)[O-])C2)cc(C(C)C)[nH+]1 ZINC000045951355 526664645 /nfs/dbraw/zinc/66/46/45/526664645.db2.gz RVXWNFINKZQXDI-NSHDSACASA-N 0 2 263.341 2.209 10 0 CEAELN Cc1cccc(S(=O)(=O)Nc2[nH]nc3ncccc32)c1 ZINC000082347739 177971419 /nfs/dbraw/zinc/97/14/19/177971419.db2.gz ULWHTRMTGSFSKA-UHFFFAOYSA-N 0 2 288.332 2.067 10 0 CEAELN Nc1ccc2[nH]cc(S(=O)(=O)Nc3nccs3)c2c1 ZINC000085376911 179044459 /nfs/dbraw/zinc/04/44/59/179044459.db2.gz XDOSBPQTJGJCTM-UHFFFAOYSA-N 0 2 294.361 2.007 10 0 CEAELN Cc1cc2ccccc2[nH+]c1N[C@]1(C(=O)[O-])CCOC1 ZINC000085858393 179190281 /nfs/dbraw/zinc/19/02/81/179190281.db2.gz HHKGOKZOWLGFBF-OAHLLOKOSA-N 0 2 272.304 2.199 10 0 CEAELN O=C([O-])[C@@H]1CS[C@H](c2ccc3ccccc3n2)[NH2+]1 ZINC000086317213 179269451 /nfs/dbraw/zinc/26/94/51/179269451.db2.gz FHMMSFCAMQODEZ-NWDGAFQWSA-N 0 2 260.318 2.023 10 0 CEAELN Cc1ccc(C[NH+]2CCC(OCC(=O)[O-])CC2)c(C)c1 ZINC000086773406 179326434 /nfs/dbraw/zinc/32/64/34/179326434.db2.gz VCKZMFXHAIBDJX-UHFFFAOYSA-N 0 2 277.364 2.369 10 0 CEAELN C[C@@H](c1ccsc1)[NH+]1CCC(OCC(=O)[O-])CC1 ZINC000086773430 179326555 /nfs/dbraw/zinc/32/65/55/179326555.db2.gz KECAUVBMPBEMOJ-JTQLQIEISA-N 0 2 269.366 2.375 10 0 CEAELN C[C@H](Cc1ccccc1)[NH+]1CCC(OCC(=O)[O-])CC1 ZINC000086773584 179326597 /nfs/dbraw/zinc/32/65/97/179326597.db2.gz BFBFCWTWFLBXEE-CYBMUJFWSA-N 0 2 277.364 2.183 10 0 CEAELN C[C@@H](Cc1ccco1)[NH+]1CCC(OCCC(=O)[O-])CC1 ZINC000086773696 179326848 /nfs/dbraw/zinc/32/68/48/179326848.db2.gz PENSCIIZCDLBDQ-LBPRGKRZSA-N 0 2 281.352 2.166 10 0 CEAELN C[C@@H](c1ccc(F)cc1)[NH+]1CCC(OCC(=O)[O-])CC1 ZINC000086773526 179326924 /nfs/dbraw/zinc/32/69/24/179326924.db2.gz ADHBBAHVSQESAE-NSHDSACASA-N 0 2 281.327 2.452 10 0 CEAELN CC(C)[C@@H]1C[C@H]([NH+]2CCC(OCCC(=O)[O-])CC2)CCO1 ZINC000086773666 179327014 /nfs/dbraw/zinc/32/70/14/179327014.db2.gz GSFQLDPILJPSKV-HIFRSBDPSA-N 0 2 299.411 2.146 10 0 CEAELN C[C@@]1(C(=O)[O-])COC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000090571577 180007990 /nfs/dbraw/zinc/00/79/90/180007990.db2.gz WKJFWVPTNWYQTM-SWLSCSKDSA-N 0 2 272.304 2.136 10 0 CEAELN Cc1nc(-c2cc(F)c(F)c(F)c2)[nH]c(=O)c1F ZINC000091499916 180174634 /nfs/dbraw/zinc/17/46/34/180174634.db2.gz FZXWPJCFWLNLDS-UHFFFAOYSA-N 0 2 258.174 2.302 10 0 CEAELN COc1ccc(-c2nc(C)c(F)c(=O)[nH]2)cc1F ZINC000091501097 180174820 /nfs/dbraw/zinc/17/48/20/180174820.db2.gz SURJMXSPUNENGP-UHFFFAOYSA-N 0 2 252.220 2.032 10 0 CEAELN CCC[C@H](CC(=O)N(CC(=O)[O-])C(C)(C)C)n1cc[nH+]c1 ZINC000092447432 180387126 /nfs/dbraw/zinc/38/71/26/180387126.db2.gz KNRNQUGEAHWKPG-GFCCVEGCSA-N 0 2 295.383 2.326 10 0 CEAELN CC(C)(C)[N@H+](CC(=O)[O-])Cc1nc(-c2cccs2)no1 ZINC000092450436 180387787 /nfs/dbraw/zinc/38/77/87/180387787.db2.gz ZBSLDJKWYLOAIM-UHFFFAOYSA-N 0 2 295.364 2.483 10 0 CEAELN CC(C)(C)[N@@H+](CC(=O)[O-])Cc1nc(-c2cccs2)no1 ZINC000092450436 180387790 /nfs/dbraw/zinc/38/77/90/180387790.db2.gz ZBSLDJKWYLOAIM-UHFFFAOYSA-N 0 2 295.364 2.483 10 0 CEAELN COC(OC)C(=O)C=C(O)c1cc(C)ccc1C ZINC000108067157 186203210 /nfs/dbraw/zinc/20/32/10/186203210.db2.gz UJRUGUHGAATKLT-UHFFFAOYSA-N 0 2 250.294 2.064 10 0 CEAELN Cc1nc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cs1 ZINC000111242226 186374284 /nfs/dbraw/zinc/37/42/84/186374284.db2.gz MTZUVQVFVAWTIY-SNVBAGLBSA-N 0 2 294.298 2.291 10 0 CEAELN Cc1nc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cs1 ZINC000111242226 186374286 /nfs/dbraw/zinc/37/42/86/186374286.db2.gz MTZUVQVFVAWTIY-SNVBAGLBSA-N 0 2 294.298 2.291 10 0 CEAELN CCCc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(CC)[nH+]1 ZINC000070452457 363083413 /nfs/dbraw/zinc/08/34/13/363083413.db2.gz ZNONIQPUFMUZHG-NSHDSACASA-N 0 2 277.368 2.293 10 0 CEAELN CCC[C@H]([NH2+]Cc1nc(-c2ccccc2C)no1)C(=O)[O-] ZINC000036839904 539886458 /nfs/dbraw/zinc/88/64/58/539886458.db2.gz IXHOGVHMRAXWDD-LBPRGKRZSA-N 0 2 289.335 2.388 10 0 CEAELN Cc1nc(N[C@H](C)C(=O)[O-])cc(-c2ccccc2)[nH+]1 ZINC000011770242 361364839 /nfs/dbraw/zinc/36/48/39/361364839.db2.gz HXXZCLHRPUZUGP-SECBINFHSA-N 0 2 257.293 2.337 10 0 CEAELN CCOC(=O)c1cc(F)c(O)c(Br)c1 ZINC000261126659 371636461 /nfs/dbraw/zinc/63/64/61/371636461.db2.gz IXGLGYAZPGKRJZ-UHFFFAOYSA-N 0 2 263.062 2.471 10 0 CEAELN CN1CC[C@@H](Nc2nc(-c3cccc(Cl)c3)no2)C1=O ZINC000301352604 379264028 /nfs/dbraw/zinc/26/40/28/379264028.db2.gz JKWMMONEAFWXOK-SNVBAGLBSA-N 0 2 292.726 2.033 10 0 CEAELN COc1ccc([C@@H]([NH2+][C@H](C)c2nnn[n-]2)C2CC2)cc1 ZINC000044926151 184561416 /nfs/dbraw/zinc/56/14/16/184561416.db2.gz LOJZPMJOZRMKDC-RNCFNFMXSA-N 0 2 273.340 2.010 10 0 CEAELN C[N@H+](CCOCc1ccccc1)Cc1nc(C(=O)[O-])co1 ZINC000383832256 395188057 /nfs/dbraw/zinc/18/80/57/395188057.db2.gz JSJUNIGUQITAJQ-UHFFFAOYSA-N 0 2 290.319 2.021 10 0 CEAELN C[N@@H+](CCOCc1ccccc1)Cc1nc(C(=O)[O-])co1 ZINC000383832256 395188063 /nfs/dbraw/zinc/18/80/63/395188063.db2.gz JSJUNIGUQITAJQ-UHFFFAOYSA-N 0 2 290.319 2.021 10 0 CEAELN Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263200953 154035962 /nfs/dbraw/zinc/03/59/62/154035962.db2.gz XJGNIQWHHPXRCE-SKDRFNHKSA-N 0 2 291.351 2.273 10 0 CEAELN O=C([O-])c1cccc(N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)[nH+]1 ZINC000263402094 154077197 /nfs/dbraw/zinc/07/71/97/154077197.db2.gz JHHQNCONLGXNQH-IACUBPJLSA-N 0 2 290.363 2.300 10 0 CEAELN COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1Cl ZINC000009280489 170370145 /nfs/dbraw/zinc/37/01/45/170370145.db2.gz COYKUGIVNFDNKZ-PSASIEDQSA-N 0 2 273.741 2.137 10 0 CEAELN Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1 ZINC000020373319 171168608 /nfs/dbraw/zinc/16/86/08/171168608.db2.gz OGZZIUKPRFYAFQ-UHFFFAOYSA-N 0 2 283.740 2.118 10 0 CEAELN O=C([O-])/C=C/c1ccccc1OCCn1cc[nH+]c1 ZINC000020526561 171239751 /nfs/dbraw/zinc/23/97/51/171239751.db2.gz GYAPWYMVBFQPEW-AATRIKPKSA-N 0 2 258.277 2.060 10 0 CEAELN Cc1nn(-c2ccccc2)c(C)c1[C@H](C(=O)[O-])[NH+](C)C ZINC000021949041 171338791 /nfs/dbraw/zinc/33/87/91/171338791.db2.gz FJIBYKJWOQIJSB-CQSZACIVSA-N 0 2 273.336 2.176 10 0 CEAELN Nc1ccccc1NS(=O)(=O)c1ccccc1F ZINC000021963464 171342961 /nfs/dbraw/zinc/34/29/61/171342961.db2.gz HADXALZNMNOPDN-UHFFFAOYSA-N 0 2 266.297 2.209 10 0 CEAELN CCOCCCn1c(C)[nH+]c2cc(C(=O)[O-])ccc21 ZINC000036893561 172784979 /nfs/dbraw/zinc/78/49/79/172784979.db2.gz UEMOKYDRXSJGGJ-UHFFFAOYSA-N 0 2 262.309 2.470 10 0 CEAELN O=C([O-])c1ccc(NCCc2ccc(O)cc2)[nH+]c1 ZINC000040737199 174389608 /nfs/dbraw/zinc/38/96/08/174389608.db2.gz URIVHGYLFQIGAR-UHFFFAOYSA-N 0 2 258.277 2.140 10 0 CEAELN Cc1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@H]1CCCOC1 ZINC000044982506 175283639 /nfs/dbraw/zinc/28/36/39/175283639.db2.gz ZBXCMOLYRVDEQL-LLVKDONJSA-N 0 2 274.320 2.470 10 0 CEAELN CC[C@H](C)NC(=O)CCn1c[nH+]c2cc(C(=O)[O-])ccc21 ZINC000045006522 175288432 /nfs/dbraw/zinc/28/84/32/175288432.db2.gz KLLXRDLUKOJHHB-JTQLQIEISA-N 0 2 289.335 2.039 10 0 CEAELN COc1ccccc1NS(=O)(=O)c1c(N)cccc1F ZINC000045147488 175317460 /nfs/dbraw/zinc/31/74/60/175317460.db2.gz PAFYWOVWKIYNFC-UHFFFAOYSA-N 0 2 296.323 2.217 10 0 CEAELN O=C([O-])C1C[NH+](Cc2csc(-c3ccsc3)n2)C1 ZINC000071173660 176053695 /nfs/dbraw/zinc/05/36/95/176053695.db2.gz ARQDYYRWOSPDGK-UHFFFAOYSA-N 0 2 280.374 2.388 10 0 CEAELN COc1ccccc1Cc1[nH]c(CCC(=O)[O-])c[nH+]1 ZINC000071586199 176212375 /nfs/dbraw/zinc/21/23/75/176212375.db2.gz BLHKWIGPIHJMIF-UHFFFAOYSA-N 0 2 260.293 2.026 10 0 CEAELN COc1ccccc1Cc1[nH]cc(CCC(=O)[O-])[nH+]1 ZINC000071586199 176212376 /nfs/dbraw/zinc/21/23/76/176212376.db2.gz BLHKWIGPIHJMIF-UHFFFAOYSA-N 0 2 260.293 2.026 10 0 CEAELN Oc1cc(F)ccc1-c1nc([C@H]2CCOC2)no1 ZINC000230698280 270314022 /nfs/dbraw/zinc/31/40/22/270314022.db2.gz OYKQVHDJKDTJAR-ZETCQYMHSA-N 0 2 250.229 2.085 10 0 CEAELN CCO[C@@H](CCn1c(C)[nH+]c2ccccc21)C(=O)[O-] ZINC000062757688 520304480 /nfs/dbraw/zinc/30/44/80/520304480.db2.gz PSQSZDLKKZAVNZ-ZDUSSCGKSA-N 0 2 262.309 2.225 10 0 CEAELN CC[N@H+](CC1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC000052198441 520938916 /nfs/dbraw/zinc/93/89/16/520938916.db2.gz PAEVNTGVMPIKOU-UHFFFAOYSA-N 0 2 263.337 2.394 10 0 CEAELN CC[N@@H+](CC1(C(=O)[O-])CCOCC1)c1ccccc1 ZINC000052198441 520938922 /nfs/dbraw/zinc/93/89/22/520938922.db2.gz PAEVNTGVMPIKOU-UHFFFAOYSA-N 0 2 263.337 2.394 10 0 CEAELN COCCN(c1cccc(C(=O)[O-])[nH+]1)[C@H](C)C1CC1 ZINC000051067219 523784607 /nfs/dbraw/zinc/78/46/07/523784607.db2.gz PJDNAUBTVMOKFZ-SNVBAGLBSA-N 0 2 264.325 2.031 10 0 CEAELN Cc1ccc(N[C@H](C)Cn2cc[nH+]c2)c(C(=O)[O-])c1 ZINC000052983597 525317280 /nfs/dbraw/zinc/31/72/80/525317280.db2.gz LFOTYUYXMVEVRH-LLVKDONJSA-N 0 2 259.309 2.390 10 0 CEAELN Cc1nc(N)sc1S(=O)(=O)Nc1cccc(C)c1 ZINC000069364485 526960043 /nfs/dbraw/zinc/96/00/43/526960043.db2.gz DKGIDCAYRHWFCT-UHFFFAOYSA-N 0 2 283.378 2.143 10 0 CEAELN O=c1c2ccsc2[nH]c(=S)n1C[C@H]1CCOC1 ZINC000061147088 527468566 /nfs/dbraw/zinc/46/85/66/527468566.db2.gz MVKFWEIVSVMBGI-SSDOTTSWSA-N 0 2 268.363 2.157 10 0 CEAELN O=C1CC(=O)NC(Cc2cccc(Br)c2)=N1 ZINC000082473612 178044725 /nfs/dbraw/zinc/04/47/25/178044725.db2.gz RSINELUOIGIJHL-UHFFFAOYSA-N 0 2 281.109 2.241 10 0 CEAELN C[C@H](COc1ccccc1)[C@H]1SC(=O)NC1=O ZINC000034002834 361787014 /nfs/dbraw/zinc/78/70/14/361787014.db2.gz STVPBRGHYXQBLZ-PSASIEDQSA-N 0 2 251.307 2.053 10 0 CEAELN C[C@H](O)CCNc1cc(C(=O)[O-])[nH+]c2ccccc12 ZINC000086017168 179216639 /nfs/dbraw/zinc/21/66/39/179216639.db2.gz CQJFQMGGCGQIRU-VIFPVBQESA-N 0 2 260.293 2.116 10 0 CEAELN COc1ccc([C@H](C)[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000086774360 179326459 /nfs/dbraw/zinc/32/64/59/179326459.db2.gz WNXXECIVOBTSHF-MDZLAQPJSA-N 0 2 293.363 2.417 10 0 CEAELN COc1ccc([C@H](C)[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000086774360 179326462 /nfs/dbraw/zinc/32/64/62/179326462.db2.gz WNXXECIVOBTSHF-MDZLAQPJSA-N 0 2 293.363 2.417 10 0 CEAELN C[C@@H]1CCC[C@H]1[NH+]1CCC(OCCC(=O)[O-])CC1 ZINC000086773847 179326674 /nfs/dbraw/zinc/32/66/74/179326674.db2.gz LJZOSJYYVNNXSE-DGCLKSJQSA-N 0 2 255.358 2.131 10 0 CEAELN Cc1cccc(C[NH+]2CCC(OCC(=O)[O-])CC2)c1C ZINC000086773274 179326686 /nfs/dbraw/zinc/32/66/86/179326686.db2.gz HTMTWONGBDMKSL-UHFFFAOYSA-N 0 2 277.364 2.369 10 0 CEAELN CC(C)n1c[nH+]cc1[C@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000091272936 180117565 /nfs/dbraw/zinc/11/75/65/180117565.db2.gz BYQVYQVDSUUGNS-LLVKDONJSA-N 0 2 297.355 2.457 10 0 CEAELN Cc1cc(C(=O)[O-])cc(C)c1OCc1c[nH+]cn1C ZINC000091278570 180121008 /nfs/dbraw/zinc/12/10/08/180121008.db2.gz GSZOSPBKYDQOOD-UHFFFAOYSA-N 0 2 260.293 2.314 10 0 CEAELN Cc1cc([C@H]2[NH2+][C@H](C(=O)[O-])CS2)c2ccccc2n1 ZINC000092344475 180366615 /nfs/dbraw/zinc/36/66/15/180366615.db2.gz KDJPHDXCXAEBGV-STQMWFEESA-N 0 2 274.345 2.331 10 0 CEAELN Cc1cc([C@@H]2[NH2+][C@@H](C(=O)[O-])CS2)c2ccccc2n1 ZINC000092344476 180366635 /nfs/dbraw/zinc/36/66/35/180366635.db2.gz KDJPHDXCXAEBGV-CHWSQXEVSA-N 0 2 274.345 2.331 10 0 CEAELN Cc1cc(NC(=O)CC2(C(=O)[O-])CCCC2)cc[nH+]1 ZINC000092348882 180367008 /nfs/dbraw/zinc/36/70/08/180367008.db2.gz AAROVFFHEMBOSA-UHFFFAOYSA-N 0 2 262.309 2.364 10 0 CEAELN CC(C)(C)[N@H+](CC(=O)[O-])Cc1nnc(-c2ccco2)o1 ZINC000092449863 180387922 /nfs/dbraw/zinc/38/79/22/180387922.db2.gz VUAGBIUHGMYBJF-UHFFFAOYSA-N 0 2 279.296 2.015 10 0 CEAELN CC(C)(C)[N@@H+](CC(=O)[O-])Cc1nnc(-c2ccco2)o1 ZINC000092449863 180387923 /nfs/dbraw/zinc/38/79/23/180387923.db2.gz VUAGBIUHGMYBJF-UHFFFAOYSA-N 0 2 279.296 2.015 10 0 CEAELN CCOCCC(=O)C1=C(O)c2ccsc2CC1 ZINC000108287445 186211178 /nfs/dbraw/zinc/21/11/78/186211178.db2.gz RSEGNDCJOSVTIW-VIFPVBQESA-N 0 2 252.335 2.489 10 0 CEAELN O=c1c2sccc2[nH]c(=S)n1[C@@H]1CCCOC1 ZINC000109549074 186262296 /nfs/dbraw/zinc/26/22/96/186262296.db2.gz SYSNCZRTIDTNDC-SSDOTTSWSA-N 0 2 268.363 2.098 10 0 CEAELN COCCCNc1cc(C(=O)[O-])[nH+]c2ccccc12 ZINC000109587294 186263940 /nfs/dbraw/zinc/26/39/40/186263940.db2.gz IRKMAXIDGGQBJG-UHFFFAOYSA-N 0 2 260.293 2.381 10 0 CEAELN C[C@H](Oc1ccccc1)C(=O)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000110965559 186338200 /nfs/dbraw/zinc/33/82/00/186338200.db2.gz GGILGHBIQVKSGJ-JTQLQIEISA-N 0 2 286.287 2.186 10 0 CEAELN O=S(=O)(CC(F)(F)F)N[C@H]1CC12CCCCC2 ZINC000336457810 213325217 /nfs/dbraw/zinc/32/52/17/213325217.db2.gz QASXJBYPDUAPEU-QMMMGPOBSA-N 0 2 271.304 2.191 10 0 CEAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@H]1CO ZINC000153851540 188108370 /nfs/dbraw/zinc/10/83/70/188108370.db2.gz HEOYRQSMCKWGEV-ZETCQYMHSA-N 0 2 290.146 2.296 10 0 CEAELN CO[C@H](C)c1nsc(NCC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000337937511 366185182 /nfs/dbraw/zinc/18/51/82/366185182.db2.gz FCGXRADNBUUKPL-LPEHRKFASA-N 0 2 285.413 2.283 10 0 CEAELN CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)CC1=O ZINC000140667204 366562465 /nfs/dbraw/zinc/56/24/65/366562465.db2.gz JASNOTOSLYHXAY-SNVBAGLBSA-N 0 2 269.341 2.385 10 0 CEAELN CC(C)(C)c1csc(C[NH+]2CC(CC(=O)[O-])C2)n1 ZINC000094969507 184908378 /nfs/dbraw/zinc/90/83/78/184908378.db2.gz IVJDEIUURVLXTG-UHFFFAOYSA-N 0 2 268.382 2.347 10 0 CEAELN O=C(O)c1c(=O)c2ccccc2n2c1SCCC2 ZINC000095883461 394674706 /nfs/dbraw/zinc/67/47/06/394674706.db2.gz CMYQTBYGEAASEJ-UHFFFAOYSA-N 0 2 261.302 2.196 10 0 CEAELN Cc1c(Cl)cc(C(N)=O)c(O)c1Br ZINC000575422192 400608710 /nfs/dbraw/zinc/60/87/10/400608710.db2.gz HNDAJETZFNPIEG-UHFFFAOYSA-N 0 2 264.506 2.215 10 0 CEAELN CCc1ccccc1NC(=O)C[N@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000263153940 154025493 /nfs/dbraw/zinc/02/54/93/154025493.db2.gz PUBYRIUFZINYKS-NSHDSACASA-N 0 2 290.363 2.125 10 0 CEAELN CCc1ccccc1NC(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1 ZINC000263153940 154025495 /nfs/dbraw/zinc/02/54/95/154025495.db2.gz PUBYRIUFZINYKS-NSHDSACASA-N 0 2 290.363 2.125 10 0 CEAELN Cc1cnn([C@H]2CCCN(c3cccc(C(=O)[O-])[nH+]3)C2)c1 ZINC000263412226 154079376 /nfs/dbraw/zinc/07/93/76/154079376.db2.gz MRXOAHOWEBQUIM-LBPRGKRZSA-N 0 2 286.335 2.126 10 0 CEAELN Cc1cn2c([nH+]1)[C@H](CNc1cccc(C(=O)[O-])n1)CCC2 ZINC000263437684 154087576 /nfs/dbraw/zinc/08/75/76/154087576.db2.gz VWJUBBITXQFOGP-NSHDSACASA-N 0 2 286.335 2.274 10 0 CEAELN Cc1cc([C@H]2CCCN(c3cccc(C(=O)[O-])[nH+]3)C2)n[nH]1 ZINC000263441443 154089360 /nfs/dbraw/zinc/08/93/60/154089360.db2.gz XEPHSEKZKLFYDR-NSHDSACASA-N 0 2 286.335 2.195 10 0 CEAELN CCC[C@@H](Nc1nc(NC)c2ccccc2[nH+]1)C(=O)[O-] ZINC000263562805 154124637 /nfs/dbraw/zinc/12/46/37/154124637.db2.gz SWSADSKFCIKFTK-LLVKDONJSA-N 0 2 274.324 2.337 10 0 CEAELN C[C@H](CCc1ccccc1)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000178617922 165252835 /nfs/dbraw/zinc/25/28/35/165252835.db2.gz PGDRWCBHZZOBRZ-NVXWUHKLSA-N 0 2 276.424 2.270 10 0 CEAELN COCCCn1c(=O)c2ccsc2[nH]c1=S ZINC000021948723 171338700 /nfs/dbraw/zinc/33/87/00/171338700.db2.gz FOOWECGMGGQGHP-UHFFFAOYSA-N 0 2 256.352 2.157 10 0 CEAELN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000037335109 173135624 /nfs/dbraw/zinc/13/56/24/173135624.db2.gz BJJDPJYHIMNGSV-UHFFFAOYSA-N 0 2 258.155 2.129 10 0 CEAELN CCc1[nH+]c2cc(C(=O)[O-])ccc2n1Cc1nc(C)no1 ZINC000045006501 175288268 /nfs/dbraw/zinc/28/82/68/175288268.db2.gz TZIJFLZROAVABH-UHFFFAOYSA-N 0 2 286.291 2.037 10 0 CEAELN CC(C(=O)[O-])=C(C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000071165158 176047978 /nfs/dbraw/zinc/04/79/78/176047978.db2.gz IFXGCQDRWWLCDH-FPLPWBNLSA-N 0 2 273.292 2.231 10 0 CEAELN CC(C)(C)c1ccccc1NS(=O)(=O)c1c[nH]nc1N ZINC000071174123 176053608 /nfs/dbraw/zinc/05/36/08/176053608.db2.gz HLNFOYGWAZZPDV-UHFFFAOYSA-N 0 2 294.380 2.090 10 0 CEAELN O=C([O-])c1cccc(N[C@H]2COc3ccccc32)[nH+]1 ZINC000078802723 177390116 /nfs/dbraw/zinc/39/01/16/177390116.db2.gz PDYQRHCTYXMUTG-NSHDSACASA-N 0 2 256.261 2.325 10 0 CEAELN CCC(CC)N(CCOC)c1cccc(C(=O)[O-])[nH+]1 ZINC000051067215 521562863 /nfs/dbraw/zinc/56/28/63/521562863.db2.gz GSVHSJVLKDBNPR-UHFFFAOYSA-N 0 2 266.341 2.421 10 0 CEAELN CCC[C@H](CC(=O)N(CC)C[C@H](C)C(=O)[O-])n1cc[nH+]c1 ZINC000061215739 521073473 /nfs/dbraw/zinc/07/34/73/521073473.db2.gz LIZDFCWIBBIGIU-QWHCGFSZSA-N 0 2 295.383 2.184 10 0 CEAELN CC[N@H+](Cc1nnc(-c2ccccc2)o1)C(C)(C)C(=O)[O-] ZINC000061174687 521462878 /nfs/dbraw/zinc/46/28/78/521462878.db2.gz TZNCOKHFSKHGMG-UHFFFAOYSA-N 0 2 289.335 2.422 10 0 CEAELN CC[N@@H+](Cc1nnc(-c2ccccc2)o1)C(C)(C)C(=O)[O-] ZINC000061174687 521462883 /nfs/dbraw/zinc/46/28/83/521462883.db2.gz TZNCOKHFSKHGMG-UHFFFAOYSA-N 0 2 289.335 2.422 10 0 CEAELN CC[N@H+](Cc1noc(-c2cccs2)n1)C(C)(C)C(=O)[O-] ZINC000061176331 521467422 /nfs/dbraw/zinc/46/74/22/521467422.db2.gz UNEAWMIWBSJRCO-UHFFFAOYSA-N 0 2 295.364 2.483 10 0 CEAELN CC[N@@H+](Cc1noc(-c2cccs2)n1)C(C)(C)C(=O)[O-] ZINC000061176331 521467430 /nfs/dbraw/zinc/46/74/30/521467430.db2.gz UNEAWMIWBSJRCO-UHFFFAOYSA-N 0 2 295.364 2.483 10 0 CEAELN CCc1[nH+]c2ccccc2n1C[C@H]1CC[C@H](C(=O)[O-])O1 ZINC000062807405 522504748 /nfs/dbraw/zinc/50/47/48/522504748.db2.gz OYCKVMRKUSMZQI-ZWNOBZJWSA-N 0 2 274.320 2.231 10 0 CEAELN Cc1cc(N(CC(=O)[O-])CC(C)C)nc(C(C)C)[nH+]1 ZINC000062742661 525032037 /nfs/dbraw/zinc/03/20/37/525032037.db2.gz YTAKLLMVSCSDRY-UHFFFAOYSA-N 0 2 265.357 2.455 10 0 CEAELN Cc1csc(NS(=O)(=O)C=Cc2ccccc2)n1 ZINC000068037743 641369978 /nfs/dbraw/zinc/36/99/78/641369978.db2.gz WRUVPRQXNVTGOP-BQYQJAHWSA-N 0 2 280.374 2.286 10 0 CEAELN O=c1cc(O)nc(-c2ccc(Br)cc2)[nH]1 ZINC000082473631 178045255 /nfs/dbraw/zinc/04/52/55/178045255.db2.gz TWLHHCUJMQMNHN-UHFFFAOYSA-N 0 2 267.082 2.317 10 0 CEAELN O=C1CC(=O)NC(c2ccc(Br)cc2)=N1 ZINC000082473631 178045256 /nfs/dbraw/zinc/04/52/56/178045256.db2.gz TWLHHCUJMQMNHN-UHFFFAOYSA-N 0 2 267.082 2.317 10 0 CEAELN C[C@H](COc1ccccc1)[C@@H]1SC(=O)NC1=O ZINC000034002836 361787033 /nfs/dbraw/zinc/78/70/33/361787033.db2.gz STVPBRGHYXQBLZ-SCZZXKLOSA-N 0 2 251.307 2.053 10 0 CEAELN CCCC(=O)C[C@H](C(=O)OCC)C(=O)c1ccoc1 ZINC000725248260 539193242 /nfs/dbraw/zinc/19/32/42/539193242.db2.gz PSMRSFLEIHRQBW-LBPRGKRZSA-N 0 2 266.293 2.401 10 0 CEAELN C[C@@H](O)CCNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000127525369 187312620 /nfs/dbraw/zinc/31/26/20/187312620.db2.gz MPGRIEQZIKVJRI-ZCFIWIBFSA-N 0 2 278.135 2.200 10 0 CEAELN COc1cc2[nH]c([C@H]3[C@@H](C(=O)[O-])C3(C)C)[nH+]c2cc1OC ZINC000085404810 179053756 /nfs/dbraw/zinc/05/37/56/179053756.db2.gz YHAKLPKUJGGTNT-NEPJUHHUSA-N 0 2 290.319 2.404 10 0 CEAELN O=C([O-])[C@H]1CS[C@@H](c2ccc3ccccc3n2)[NH2+]1 ZINC000086317216 179269753 /nfs/dbraw/zinc/26/97/53/179269753.db2.gz FHMMSFCAMQODEZ-NEPJUHHUSA-N 0 2 260.318 2.023 10 0 CEAELN COc1cccc([C@H](C)[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000086774352 179326378 /nfs/dbraw/zinc/32/63/78/179326378.db2.gz HQHGPLNHBAJXST-SUNKGSAMSA-N 0 2 263.337 2.409 10 0 CEAELN COc1cccc([C@H](C)[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000086774352 179326381 /nfs/dbraw/zinc/32/63/81/179326381.db2.gz HQHGPLNHBAJXST-SUNKGSAMSA-N 0 2 263.337 2.409 10 0 CEAELN C[C@@H](c1ccc(O)cc1)[NH+]1CCC(OCCC(=O)[O-])CC1 ZINC000086773824 179326452 /nfs/dbraw/zinc/32/64/52/179326452.db2.gz ACMPYONLUOKDBS-LBPRGKRZSA-N 0 2 293.363 2.409 10 0 CEAELN COc1ccccc1[C@@H](C)[NH+]1CCC(OCC(=O)[O-])CC1 ZINC000086773475 179326687 /nfs/dbraw/zinc/32/66/87/179326687.db2.gz GXGFHUCRLBKQOW-GFCCVEGCSA-N 0 2 293.363 2.322 10 0 CEAELN COCC[N@H+](CC(=O)[O-])[C@@H](c1ccco1)c1ccccc1 ZINC000086804328 179338384 /nfs/dbraw/zinc/33/83/84/179338384.db2.gz NCPGEKGWOZOKKX-MRXNPFEDSA-N 0 2 289.331 2.402 10 0 CEAELN COCC[N@@H+](CC(=O)[O-])[C@@H](c1ccco1)c1ccccc1 ZINC000086804328 179338385 /nfs/dbraw/zinc/33/83/85/179338385.db2.gz NCPGEKGWOZOKKX-MRXNPFEDSA-N 0 2 289.331 2.402 10 0 CEAELN O=C([O-])CC1C[NH+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000086812090 179341495 /nfs/dbraw/zinc/34/14/95/179341495.db2.gz VIZDXWCUQMTSED-UHFFFAOYSA-N 0 2 259.227 2.010 10 0 CEAELN Nc1cc([C@H]2CNc3ccccc3N2C(=O)[O-])cc[nH+]1 ZINC000616682098 348558972 /nfs/dbraw/zinc/55/89/72/348558972.db2.gz GFOWXJUUMVTLEX-GFCCVEGCSA-N 0 2 270.292 2.145 10 0 CEAELN Cc1ccsc1C(=O)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000104345149 185976095 /nfs/dbraw/zinc/97/60/95/185976095.db2.gz ZAWPKOCIEIUUBS-UHFFFAOYSA-N 0 2 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521229065 /nfs/dbraw/zinc/22/90/65/521229065.db2.gz NMAYFMBXWGCQTE-QMMMGPOBSA-N 0 2 276.292 2.167 10 0 CEAELN Cc1cc(N)cc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1 ZINC000061682475 525037266 /nfs/dbraw/zinc/03/72/66/525037266.db2.gz JVKWTBZONXAJDL-UHFFFAOYSA-N 0 2 294.380 2.155 10 0 CEAELN Cc1ccc(N[C@@H](C)Cn2cc[nH+]c2)c(C(=O)[O-])c1 ZINC000052983595 525310180 /nfs/dbraw/zinc/31/01/80/525310180.db2.gz LFOTYUYXMVEVRH-NSHDSACASA-N 0 2 259.309 2.390 10 0 CEAELN O=C([O-])c1ccc(NCCCn2cc[nH+]c2)c(F)c1 ZINC000054527634 526378201 /nfs/dbraw/zinc/37/82/01/526378201.db2.gz GWZHKBWOZNLBMV-UHFFFAOYSA-N 0 2 263.272 2.223 10 0 CEAELN Cc1nc(N)sc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000069365068 526959900 /nfs/dbraw/zinc/95/99/00/526959900.db2.gz YWVQALZIRXMRMJ-UHFFFAOYSA-N 0 2 297.405 2.451 10 0 CEAELN Cc1nc(N)sc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000069364935 526960111 /nfs/dbraw/zinc/96/01/11/526960111.db2.gz JKVIWOYNBHVAFF-UHFFFAOYSA-N 0 2 297.405 2.451 10 0 CEAELN Cc1nc(N2CCc3sccc3[C@@H]2C(=O)[O-])cc[nH+]1 ZINC000054935320 527347507 /nfs/dbraw/zinc/34/75/07/527347507.db2.gz MEQIHJMRJDDVNJ-GFCCVEGCSA-N 0 2 275.333 2.035 10 0 CEAELN Cc1conc1NS(=O)(=O)/C=C\c1ccccc1 ZINC000255194186 623312444 /nfs/dbraw/zinc/31/24/44/623312444.db2.gz DMAPKURFYMCYLF-FPLPWBNLSA-N 0 2 264.306 2.396 10 0 CEAELN C[C@H]1CN(C(=O)c2c(O)cc(F)cc2F)CCS1 ZINC000170901313 344492499 /nfs/dbraw/zinc/49/24/99/344492499.db2.gz AFXFXLPDXOWREQ-ZETCQYMHSA-N 0 2 273.304 2.248 10 0 CEAELN O=C([O-])[C@@H]1CC[N@H+](Cc2ccccc2)CC1(F)F ZINC000224220643 344543836 /nfs/dbraw/zinc/54/38/36/344543836.db2.gz OFAYEFASYBFVIA-NSHDSACASA-N 0 2 255.264 2.228 10 0 CEAELN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(F)F ZINC000224220643 344543839 /nfs/dbraw/zinc/54/38/39/344543839.db2.gz OFAYEFASYBFVIA-NSHDSACASA-N 0 2 255.264 2.228 10 0 CEAELN O=C1CC(c2ccc(I)cc2)=NN1 ZINC000228855366 344564090 /nfs/dbraw/zinc/56/40/90/344564090.db2.gz RBCFYTQVJRDSOB-UHFFFAOYSA-N 0 2 286.072 2.387 10 0 CEAELN CCOC(=O)c1[nH]c(Br)nc1C1(C)CC1 ZINC000584882999 344996900 /nfs/dbraw/zinc/99/69/00/344996900.db2.gz DGOHDXFQODLLTI-UHFFFAOYSA-N 0 2 273.130 2.400 10 0 CEAELN COc1cc2[nH]c([C@@H]3[C@@H](C(=O)[O-])C3(C)C)[nH+]c2cc1OC ZINC000085404808 179053868 /nfs/dbraw/zinc/05/38/68/179053868.db2.gz YHAKLPKUJGGTNT-RYUDHWBXSA-N 0 2 290.319 2.404 10 0 CEAELN C[C@H](c1cccc(O)c1)[NH+]1CCC(OCC(=O)[O-])CC1 ZINC000086773460 179326667 /nfs/dbraw/zinc/32/66/67/179326667.db2.gz LHTHVEMKXSRZMT-LLVKDONJSA-N 0 2 279.336 2.019 10 0 CEAELN CC(C)c1nc(-c2ccncn2)[nH]c(=O)c1Br ZINC000090746837 180035424 /nfs/dbraw/zinc/03/54/24/180035424.db2.gz QPHHQZWYDNIMFZ-UHFFFAOYSA-N 0 2 295.140 2.113 10 0 CEAELN Cc1cc2[nH+]c(CC[C@H](C)O)n(CCC(=O)[O-])c2cc1C ZINC000092150787 180334702 /nfs/dbraw/zinc/33/47/02/180334702.db2.gz NRPKEPPQTQIOOJ-LBPRGKRZSA-N 0 2 290.363 2.441 10 0 CEAELN CCOC(OCC)C(=O)C=C(O)c1ccc(OC)c(F)c1 ZINC000106606400 186129432 /nfs/dbraw/zinc/12/94/32/186129432.db2.gz YTDBDSWGTBJUCP-UHFFFAOYSA-N 0 2 298.310 2.375 10 0 CEAELN CC(C)(C)[N@H+](CC(=O)[O-])Cc1nc(=O)c2sccc2[nH]1 ZINC000092449745 180388062 /nfs/dbraw/zinc/38/80/62/180388062.db2.gz XNCDVQUBNGMIAN-UHFFFAOYSA-N 0 2 295.364 2.082 10 0 CEAELN CC(C)(C)[N@@H+](CC(=O)[O-])Cc1nc(=O)c2sccc2[nH]1 ZINC000092449745 180388063 /nfs/dbraw/zinc/38/80/63/180388063.db2.gz XNCDVQUBNGMIAN-UHFFFAOYSA-N 0 2 295.364 2.082 10 0 CEAELN Cc1[nH+]c2ccc(C(=O)[O-])cc2n1Cc1cccnc1 ZINC000107834316 186194513 /nfs/dbraw/zinc/19/45/13/186194513.db2.gz WAFQHMKLZMHDFT-UHFFFAOYSA-N 0 2 267.288 2.486 10 0 CEAELN COC[C@@H](C)Nc1cc(C(=O)[O-])[nH+]c2ccccc12 ZINC000109586927 186263568 /nfs/dbraw/zinc/26/35/68/186263568.db2.gz OMFODFQMCWGKEJ-SECBINFHSA-N 0 2 260.293 2.380 10 0 CEAELN COC(=O)c1cc(=O)c2cc(OC(F)(F)F)ccc2[nH]1 ZINC000109596954 186265580 /nfs/dbraw/zinc/26/55/80/186265580.db2.gz UUTODJBXAJLMDD-UHFFFAOYSA-N 0 2 287.193 2.213 10 0 CEAELN O=c1cc(O)nc(-c2ccccc2C(F)(F)F)[nH]1 ZINC000110618977 186305574 /nfs/dbraw/zinc/30/55/74/186305574.db2.gz AXBDANWIEMSJLO-UHFFFAOYSA-N 0 2 256.183 2.161 10 0 CEAELN O=C([O-])c1cc(NC(=O)c2c(F)cccc2F)cc[nH+]1 ZINC000110965626 186337251 /nfs/dbraw/zinc/33/72/51/186337251.db2.gz QYQJEYYVSOGOMD-UHFFFAOYSA-N 0 2 278.214 2.310 10 0 CEAELN COc1ccccc1C(=O)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000110965070 186337335 /nfs/dbraw/zinc/33/73/35/186337335.db2.gz XCVBEFFCZZWJQW-UHFFFAOYSA-N 0 2 272.260 2.041 10 0 CEAELN Cc1ccc(C(=O)Nc2cc[nH+]c(C(=O)[O-])c2)c(C)n1 ZINC000110964905 186338297 /nfs/dbraw/zinc/33/82/97/186338297.db2.gz QMJAKCBEGKYHLF-UHFFFAOYSA-N 0 2 271.276 2.044 10 0 CEAELN CCc1cc(N2CCC(C(=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000070452740 363084164 /nfs/dbraw/zinc/08/41/64/363084164.db2.gz BWNXTWVLXMDKKY-UHFFFAOYSA-N 0 2 277.368 2.463 10 0 CEAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@@H]1CO ZINC000153851430 188107947 /nfs/dbraw/zinc/10/79/47/188107947.db2.gz HEOYRQSMCKWGEV-SSDOTTSWSA-N 0 2 290.146 2.296 10 0 CEAELN Cc1c(Br)cc(C(N)=O)c(O)c1Cl ZINC000575423381 366284353 /nfs/dbraw/zinc/28/43/53/366284353.db2.gz ULWKNZAXQFRIRX-UHFFFAOYSA-N 0 2 264.506 2.215 10 0 CEAELN C[C@@H]1C[C@@H]1NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194012431 297310172 /nfs/dbraw/zinc/31/01/72/297310172.db2.gz BOQFHUDCDGPDGE-KCJUWKMLSA-N 0 2 291.738 2.370 10 0 CEAELN O=C(c1ccc(Cl)c(Cl)c1O)N1CCCO1 ZINC000186343765 368960412 /nfs/dbraw/zinc/96/04/12/368960412.db2.gz PAGIWYHISGIOEJ-UHFFFAOYSA-N 0 2 262.092 2.477 10 0 CEAELN CCCc1nc(C[N@@H+]2CCC[C@@]2(COC)C(=O)[O-])cs1 ZINC000643877980 373290135 /nfs/dbraw/zinc/29/01/35/373290135.db2.gz GFJAAFDLSWVZJR-CQSZACIVSA-N 0 2 298.408 2.161 10 0 CEAELN CCCc1nc(C[N@H+]2CCC[C@@]2(COC)C(=O)[O-])cs1 ZINC000643877980 373290143 /nfs/dbraw/zinc/29/01/43/373290143.db2.gz GFJAAFDLSWVZJR-CQSZACIVSA-N 0 2 298.408 2.161 10 0 CEAELN Cc1ccc(NC(=O)N[C@H](C)CCC(=O)[O-])c(C)[nH+]1 ZINC000094666761 184837840 /nfs/dbraw/zinc/83/78/40/184837840.db2.gz ULZSLJGLWWYIHW-SECBINFHSA-N 0 2 265.313 2.073 10 0 CEAELN O=C([O-])c1cccc2[nH+]c(N3C[C@H]4CC[C@@H](C3)O4)ccc21 ZINC000090908624 135066448 /nfs/dbraw/zinc/06/64/48/135066448.db2.gz WYXRWWGOXPIWQM-PHIMTYICSA-N 0 2 284.315 2.301 10 0 CEAELN CCC[C@H](Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1)C(=O)[O-] ZINC000263568571 154132147 /nfs/dbraw/zinc/13/21/47/154132147.db2.gz YPUNNDRVERNGNW-RYUDHWBXSA-N 0 2 292.383 2.378 10 0 CEAELN CCC[C@H](Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1)C(=O)[O-] ZINC000263568571 154132155 /nfs/dbraw/zinc/13/21/55/154132155.db2.gz YPUNNDRVERNGNW-RYUDHWBXSA-N 0 2 292.383 2.378 10 0 CEAELN O=S(=O)(Nc1cccc(CO)c1)c1ccccc1F ZINC000007421955 170283925 /nfs/dbraw/zinc/28/39/25/170283925.db2.gz CFIZDXOJBQPCTP-UHFFFAOYSA-N 0 2 281.308 2.119 10 0 CEAELN COc1ccc([NH2+]CCCCC(=O)[O-])c(OC)c1 ZINC000020474488 171218731 /nfs/dbraw/zinc/21/87/31/171218731.db2.gz KBCNZANIMKEPLM-UHFFFAOYSA-N 0 2 253.298 2.371 10 0 CEAELN CCCc1nnc(SCC(=O)[O-])n1-c1c[nH+]ccc1C ZINC000071414086 176158962 /nfs/dbraw/zinc/15/89/62/176158962.db2.gz MFPGOSNZHZNUDL-UHFFFAOYSA-N 0 2 292.364 2.100 10 0 CEAELN C[C@]1(C(=O)[O-])CCCN1c1cn[nH+]c2ccccc21 ZINC000079485725 177502148 /nfs/dbraw/zinc/50/21/48/177502148.db2.gz MWLKBYXQSGSUDP-CQSZACIVSA-N 0 2 257.293 2.073 10 0 CEAELN CC(C)[C@]1(C)CCC[C@@](OC(=O)O)([C@@H](O)CO)C1 ZINC000238790840 280529889 /nfs/dbraw/zinc/52/98/89/280529889.db2.gz XYJVAXSDJWONRP-UHTWSYAYSA-N 0 2 260.330 2.009 10 0 CEAELN Nc1cc(C(=O)[O-])[nH+]c2ccc(Br)cc12 ZINC000040176304 303493835 /nfs/dbraw/zinc/49/38/35/303493835.db2.gz LGBJHBDWKSWQQR-UHFFFAOYSA-N 0 2 267.082 2.278 10 0 CEAELN CCNc1ccccc1S(=O)(=O)Nc1nccs1 ZINC000050636477 520343338 /nfs/dbraw/zinc/34/33/38/520343338.db2.gz FTMWSSBZTKIDLM-UHFFFAOYSA-N 0 2 283.378 2.376 10 0 CEAELN CCC[C@@]1(C(=O)[O-])CCCN(c2cc[nH+]c(C)n2)C1 ZINC000062875301 520946266 /nfs/dbraw/zinc/94/62/66/520946266.db2.gz UPNLEKCJVZDWJK-CQSZACIVSA-N 0 2 263.341 2.256 10 0 CEAELN CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000050511315 521333200 /nfs/dbraw/zinc/33/32/00/521333200.db2.gz WXUZQHUYKWLWFY-YPMHNXCESA-N 0 2 292.379 2.095 10 0 CEAELN Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2CO)c1 ZINC000049363461 524835419 /nfs/dbraw/zinc/83/54/19/524835419.db2.gz SDWUBMTWLZZORC-UHFFFAOYSA-N 0 2 295.335 2.427 10 0 CEAELN Cc1cc(NC(=O)CCn2cc[nH+]c2)cc(C(=O)[O-])c1C ZINC000062337919 525132518 /nfs/dbraw/zinc/13/25/18/525132518.db2.gz BIKXFVMEKUIHFR-UHFFFAOYSA-N 0 2 287.319 2.227 10 0 CEAELN O=C([O-])c1cc(NC[C@H]2Cc3ccccc3O2)cc[nH+]1 ZINC000051087480 526352954 /nfs/dbraw/zinc/35/29/54/526352954.db2.gz GNILFAKOSXSZTB-GFCCVEGCSA-N 0 2 270.288 2.195 10 0 CEAELN O=C([O-])c1cc(NC[C@@H]2Cc3ccccc3O2)cc[nH+]1 ZINC000051087482 526353264 /nfs/dbraw/zinc/35/32/64/526353264.db2.gz GNILFAKOSXSZTB-LBPRGKRZSA-N 0 2 270.288 2.195 10 0 CEAELN O=C(O)c1cn(CC2CC2)c2cc(F)c(F)cc2c1=O ZINC000062670922 526401699 /nfs/dbraw/zinc/40/16/99/526401699.db2.gz DQWSNCYBQUQQQD-UHFFFAOYSA-N 0 2 279.242 2.388 10 0 CEAELN Cc1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@@H]1CCOC1 ZINC000061147259 527119712 /nfs/dbraw/zinc/11/97/12/527119712.db2.gz ZYYZHLOHBIJDDN-JTQLQIEISA-N 0 2 260.293 2.079 10 0 CEAELN CCC[C@H]([NH2+]Cc1nc(-c2cccc(C)c2)no1)C(=O)[O-] ZINC000262260794 624844753 /nfs/dbraw/zinc/84/47/53/624844753.db2.gz GGVHCEUHGJOUEB-LBPRGKRZSA-N 0 2 289.335 2.388 10 0 CEAELN COc1cc(NCC2CCC(C(=O)[O-])CC2)cc[nH+]1 ZINC000097031587 185154636 /nfs/dbraw/zinc/15/46/36/185154636.db2.gz WLYQFOFFJSLNTE-UHFFFAOYSA-N 0 2 264.325 2.393 10 0 CEAELN O=C1NC(=O)[C@H](CCCCCc2ccc(O)cc2)O1 ZINC000136373526 344384723 /nfs/dbraw/zinc/38/47/23/344384723.db2.gz WOKYHATZQDTQSL-LBPRGKRZSA-N 0 2 263.293 2.130 10 0 CEAELN CCOC(=O)c1oc2c(cncc2Br)c1O ZINC000166483217 344476605 /nfs/dbraw/zinc/47/66/05/344476605.db2.gz JQEBDKPNMXJDEH-UHFFFAOYSA-N 0 2 286.081 2.473 10 0 CEAELN O=C([O-])c1cc(N2CCOCC2)c2c(F)cc(F)cc2[nH+]1 ZINC000584904575 345004551 /nfs/dbraw/zinc/00/45/51/345004551.db2.gz DVBGIFMOOYJGAR-UHFFFAOYSA-N 0 2 294.257 2.048 10 0 CEAELN O=C([O-])[C@H]1CCC[C@H]1Nc1cn[nH+]c2ccccc12 ZINC000085328932 179019743 /nfs/dbraw/zinc/01/97/43/179019743.db2.gz SPRCSUBTEABKCM-WDEREUQCSA-N 0 2 257.293 2.295 10 0 CEAELN Cc1ccc(-c2nc(C)c(Br)c(=O)[nH]2)o1 ZINC000085463555 179070001 /nfs/dbraw/zinc/07/00/01/179070001.db2.gz ODLPGIFWWMRDFY-UHFFFAOYSA-N 0 2 269.098 2.409 10 0 CEAELN CC[C@@H]1CC[C@@H]([NH+]2CCC(OCC(=O)[O-])CC2)C1 ZINC000086773594 179326429 /nfs/dbraw/zinc/32/64/29/179326429.db2.gz DLNSVMMLNWCUAG-VXGBXAGGSA-N 0 2 255.358 2.131 10 0 CEAELN C[C@H](c1ccccc1)[NH+]1CCC(OCC(=O)[O-])CC1 ZINC000086773357 179326617 /nfs/dbraw/zinc/32/66/17/179326617.db2.gz GZSBEPNCNNFTQU-GFCCVEGCSA-N 0 2 263.337 2.313 10 0 CEAELN CC(C)C[C@H](C)[NH+]1CCC(OCCC(=O)[O-])CC1 ZINC000086773679 179326661 /nfs/dbraw/zinc/32/66/61/179326661.db2.gz YZLJAEUDFIJIEG-LBPRGKRZSA-N 0 2 257.374 2.377 10 0 CEAELN CCC[C@@H]1C[C@H]([NH+]2CCC(OCCC(=O)[O-])CC2)CCO1 ZINC000086773772 179326706 /nfs/dbraw/zinc/32/67/06/179326706.db2.gz CXRXEKRMPAMJAI-UKRRQHHQSA-N 0 2 299.411 2.290 10 0 CEAELN c1c[nH+]c([C@@H]2COCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000616658781 348551197 /nfs/dbraw/zinc/55/11/97/348551197.db2.gz FAOWACNPVSHMCP-AWEZNQCLSA-N 0 2 257.337 2.026 10 0 CEAELN Cc1[nH]n(C)c(=O)c1-c1nc(Br)cs1 ZINC000675053732 539699640 /nfs/dbraw/zinc/69/96/40/539699640.db2.gz KJJOJYAUXINGPQ-UHFFFAOYSA-N 0 2 274.143 2.320 10 0 CEAELN CCCN(C(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1c[nH+]cn1C ZINC000090168689 179923914 /nfs/dbraw/zinc/92/39/14/179923914.db2.gz BBCMMEGYJMEAPE-LLVKDONJSA-N 0 2 297.355 2.193 10 0 CEAELN O=C([O-])c1[nH+]cccc1OC[C@H]1Cc2cc(F)ccc2O1 ZINC000090879065 180052931 /nfs/dbraw/zinc/05/29/31/180052931.db2.gz RLKXNBDRGARVKE-LLVKDONJSA-N 0 2 289.262 2.301 10 0 CEAELN C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1C(=O)[O-] ZINC000235384581 539767299 /nfs/dbraw/zinc/76/72/99/539767299.db2.gz YBNJHAKRCUCRJH-VXNVDRBHSA-N 0 2 274.242 2.257 10 0 CEAELN Cc1cc2[nH+]c(C3CC(O)C3)n(CCC(=O)[O-])c2cc1C ZINC000091433038 180153655 /nfs/dbraw/zinc/15/36/55/180153655.db2.gz WGWIAYVHFSDRFO-UHFFFAOYSA-N 0 2 288.347 2.366 10 0 CEAELN Cc1ccc(OC[C@H]2Cc3ccccc3O2)c(C(=O)[O-])[nH+]1 ZINC000091998260 180303272 /nfs/dbraw/zinc/30/32/72/180303272.db2.gz KRPJJUBDAKMGKV-GFCCVEGCSA-N 0 2 285.299 2.471 10 0 CEAELN Cc1cc(NC(=O)c2ccc(/C=C/C(=O)[O-])cn2)cc[nH+]1 ZINC000092366061 180368910 /nfs/dbraw/zinc/36/89/10/180368910.db2.gz IZCDBVRXMOTYJR-HWKANZROSA-N 0 2 283.287 2.135 10 0 CEAELN CC(C)[C@H](CO)Nc1ccc2c(cccc2C(=O)[O-])[nH+]1 ZINC000092401348 180377425 /nfs/dbraw/zinc/37/74/25/180377425.db2.gz APUNLTVDGOTWJC-ZDUSSCGKSA-N 0 2 274.320 2.362 10 0 CEAELN C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H]1CCC1(C)C ZINC000334258565 295811724 /nfs/dbraw/zinc/81/17/24/295811724.db2.gz SCOGCHCYIAJUDE-BQBZGAKWSA-N 0 2 259.293 2.045 10 0 CEAELN CCc1c(O)nc(-c2ccccc2OC(F)F)[nH]c1=O ZINC000110620761 186305453 /nfs/dbraw/zinc/30/54/53/186305453.db2.gz XIPRHUCSZIHEGQ-UHFFFAOYSA-N 0 2 282.246 2.306 10 0 CEAELN CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000122839137 187054638 /nfs/dbraw/zinc/05/46/38/187054638.db2.gz GBCQGJALHPNIDC-OAHLLOKOSA-N 0 2 287.411 2.325 10 0 CEAELN O=S(=O)(CC(F)(F)F)NC1CCCCCC1 ZINC000336074439 365372868 /nfs/dbraw/zinc/37/28/68/365372868.db2.gz MJLSHTLDLYCIGR-UHFFFAOYSA-N 0 2 259.293 2.191 10 0 CEAELN CCCCc1ccc2occ(-c3nn[nH]n3)c(=O)c2c1 ZINC000169346499 367368886 /nfs/dbraw/zinc/36/88/86/367368886.db2.gz OQLAJQAQEYDCQH-UHFFFAOYSA-N 0 2 270.292 2.316 10 0 CEAELN Cc1cc([NH2+]C[C@](C)(O)CC(C)C)cc(C(=O)[O-])c1N ZINC000094695906 184841954 /nfs/dbraw/zinc/84/19/54/184841954.db2.gz LTJPZNCERMFQJB-OAHLLOKOSA-N 0 2 280.368 2.484 10 0 CEAELN Cc1cc(N2CCSC[C@H]2CC(=O)[O-])nc(C(C)C)[nH+]1 ZINC000091129951 135067260 /nfs/dbraw/zinc/06/72/60/135067260.db2.gz OBCCQRRQSVIEST-LLVKDONJSA-N 0 2 295.408 2.305 10 0 CEAELN CCC[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)C(=O)[O-] ZINC000263557152 154124817 /nfs/dbraw/zinc/12/48/17/154124817.db2.gz PBSAUXKMDGHGFO-SNVBAGLBSA-N 0 2 291.355 2.247 10 0 CEAELN Nc1ccc(S(=O)(=O)Nc2ccccn2)c(Cl)c1 ZINC000020561599 171251980 /nfs/dbraw/zinc/25/19/80/171251980.db2.gz CUWAOZWNWJVCQN-UHFFFAOYSA-N 0 2 283.740 2.118 10 0 CEAELN O=C([O-])c1ccc2c(c1)[nH+]cn2Cc1cscn1 ZINC000020563125 171252685 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/nfs/dbraw/zinc/37/31/63/365373163.db2.gz XPBWNFIJFPRUBD-BRPSZJMVSA-N 0 2 273.320 2.293 10 0 CEAELN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1cccc(F)c1F ZINC000643879206 373290797 /nfs/dbraw/zinc/29/07/97/373290797.db2.gz MUARNIQZRFCUGI-CQSZACIVSA-N 0 2 285.290 2.030 10 0 CEAELN COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cccc(F)c1F ZINC000643879206 373290803 /nfs/dbraw/zinc/29/08/03/373290803.db2.gz MUARNIQZRFCUGI-CQSZACIVSA-N 0 2 285.290 2.030 10 0 CEAELN Cc1ccc(C)c(C(O)=CS(=O)(=O)C2CCOCC2)c1 ZINC000081909952 177892069 /nfs/dbraw/zinc/89/20/69/177892069.db2.gz YUGFQFVVKVGHOC-UHFFFAOYSA-N 0 2 296.388 2.080 10 0 CEAELN Cc1ccc(NC(=O)N(CC(=O)[O-])CC(C)C)c(C)[nH+]1 ZINC000094666662 184837730 /nfs/dbraw/zinc/83/77/30/184837730.db2.gz PUVSNHCPCGQFJJ-UHFFFAOYSA-N 0 2 279.340 2.273 10 0 CEAELN Cc1cc(C)cc(NC(=O)C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000263092538 154014785 /nfs/dbraw/zinc/01/47/85/154014785.db2.gz JAJVRNXQOPUMHQ-GFCCVEGCSA-N 0 2 290.363 2.179 10 0 CEAELN Cc1cc(C)cc(NC(=O)C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000263092538 154014788 /nfs/dbraw/zinc/01/47/88/154014788.db2.gz JAJVRNXQOPUMHQ-GFCCVEGCSA-N 0 2 290.363 2.179 10 0 CEAELN CCN(C(=O)C[N@H+]([C@@H](C)C(=O)[O-])C1CC1)C1CCCCC1 ZINC000263374122 154066866 /nfs/dbraw/zinc/06/68/66/154066866.db2.gz ZTQZTWUWMRZJQE-LBPRGKRZSA-N 0 2 296.411 2.105 10 0 CEAELN CCN(C(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1)C1CCCCC1 ZINC000263374122 154066869 /nfs/dbraw/zinc/06/68/69/154066869.db2.gz ZTQZTWUWMRZJQE-LBPRGKRZSA-N 0 2 296.411 2.105 10 0 CEAELN O=C([O-])[C@H](Cc1ccccc1)SCCn1cc[nH+]c1 ZINC000037527983 173251982 /nfs/dbraw/zinc/25/19/82/173251982.db2.gz UTBAFQBDYZTMFB-ZDUSSCGKSA-N 0 2 276.361 2.312 10 0 CEAELN C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccn(C2CCCC2)n1 ZINC000069997103 414763570 /nfs/dbraw/zinc/76/35/70/414763570.db2.gz ZYXCGCCZPYJTRU-OAHLLOKOSA-N 0 2 277.368 2.437 10 0 CEAELN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccn(C2CCCC2)n1 ZINC000069997103 414763577 /nfs/dbraw/zinc/76/35/77/414763577.db2.gz ZYXCGCCZPYJTRU-OAHLLOKOSA-N 0 2 277.368 2.437 10 0 CEAELN O=S(=O)(Nc1cc[nH]n1)c1cccc(C(F)(F)F)c1 ZINC000048798973 175449105 /nfs/dbraw/zinc/44/91/05/175449105.db2.gz YHDRVNVRYQCHAH-UHFFFAOYSA-N 0 2 291.254 2.229 10 0 CEAELN CCNc1ncccc1S(=O)(=O)Nc1cnccc1C ZINC000071414857 176159984 /nfs/dbraw/zinc/15/99/84/176159984.db2.gz JWRYTCWIGOJDPU-UHFFFAOYSA-N 0 2 292.364 2.018 10 0 CEAELN CC(C)(C)c1nnc(NC2CCCCC2)[nH]c1=O ZINC000002718759 278575986 /nfs/dbraw/zinc/57/59/86/278575986.db2.gz GTCKVPMUAHUOIO-UHFFFAOYSA-N 0 2 250.346 2.207 10 0 CEAELN CCN(CC)C(=O)c1csc(Nc2ncccn2)n1 ZINC000056924283 520566254 /nfs/dbraw/zinc/56/62/54/520566254.db2.gz CGOJJLRKGSJPIR-UHFFFAOYSA-N 0 2 277.353 2.159 10 0 CEAELN Cc1cccc(-c2nnc(C[N@@H+](C)C(C)(C)C(=O)[O-])o2)c1 ZINC000061172647 524124676 /nfs/dbraw/zinc/12/46/76/524124676.db2.gz DGFAUKDZBOIZOL-UHFFFAOYSA-N 0 2 289.335 2.340 10 0 CEAELN Cc1cccc(-c2nnc(C[N@H+](C)C(C)(C)C(=O)[O-])o2)c1 ZINC000061172647 524124684 /nfs/dbraw/zinc/12/46/84/524124684.db2.gz DGFAUKDZBOIZOL-UHFFFAOYSA-N 0 2 289.335 2.340 10 0 CEAELN O=C([O-])[C@H]1CCS[C@@H](c2ccc3ncccc3c2)[NH2+]1 ZINC000069500341 526328030 /nfs/dbraw/zinc/32/80/30/526328030.db2.gz NZPFPEXEGQHNRS-OLZOCXBDSA-N 0 2 274.345 2.413 10 0 CEAELN CC[C@H]1C[NH+](Cc2nc(C(=O)[O-])cs2)C[C@H](CC)O1 ZINC000398637438 570299424 /nfs/dbraw/zinc/29/94/24/570299424.db2.gz RKCWCLUONVZTOM-UWVGGRQHSA-N 0 2 284.381 2.231 10 0 CEAELN Cc1cnc([C@@H](C)NC(=O)C(F)(F)C(F)F)o1 ZINC000226617164 639555659 /nfs/dbraw/zinc/55/56/59/639555659.db2.gz LINPIVUMKUQGRO-RXMQYKEDSA-N 0 2 254.183 2.061 10 0 CEAELN O=C1CC(=O)NC(Cc2ccccc2Br)=N1 ZINC000082473645 178045031 /nfs/dbraw/zinc/04/50/31/178045031.db2.gz KWJMSNQSVLQBDE-UHFFFAOYSA-N 0 2 281.109 2.241 10 0 CEAELN C[C@@H](CCO)NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000127227814 187290394 /nfs/dbraw/zinc/29/03/94/187290394.db2.gz IRDOOSHSBGBRBT-LURJTMIESA-N 0 2 278.135 2.200 10 0 CEAELN O=C1Oc2ccc(O)cc2C1=C(O)c1ccc(F)cc1 ZINC000140874132 344399698 /nfs/dbraw/zinc/39/96/98/344399698.db2.gz DCPDCNMGCGSDLR-CYBMUJFWSA-N 0 2 272.231 2.417 10 0 CEAELN O=C([O-])[C@H]1CS[C@H](c2ccc3ccccc3n2)[NH2+]1 ZINC000086317215 179269983 /nfs/dbraw/zinc/26/99/83/179269983.db2.gz FHMMSFCAMQODEZ-VXGBXAGGSA-N 0 2 260.318 2.023 10 0 CEAELN C[C@H](c1ccccc1F)[NH+]1CCC(OCC(=O)[O-])CC1 ZINC000086773525 179326619 /nfs/dbraw/zinc/32/66/19/179326619.db2.gz VBHZQRSZZZCMJO-LLVKDONJSA-N 0 2 281.327 2.452 10 0 CEAELN CC[C@H](c1ccco1)[NH+]1CCC(OCC(=O)[O-])CC1 ZINC000086773434 179326951 /nfs/dbraw/zinc/32/69/51/179326951.db2.gz UPQLPHWWUROQKL-GFCCVEGCSA-N 0 2 267.325 2.296 10 0 CEAELN COCC[N@H+](CC(=O)[O-])[C@H](c1ccco1)c1ccccc1 ZINC000086804325 179338525 /nfs/dbraw/zinc/33/85/25/179338525.db2.gz NCPGEKGWOZOKKX-INIZCTEOSA-N 0 2 289.331 2.402 10 0 CEAELN COCC[N@@H+](CC(=O)[O-])[C@H](c1ccco1)c1ccccc1 ZINC000086804325 179338526 /nfs/dbraw/zinc/33/85/26/179338526.db2.gz NCPGEKGWOZOKKX-INIZCTEOSA-N 0 2 289.331 2.402 10 0 CEAELN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1c[nH+]cn1C1CC1 ZINC000091277007 180120461 /nfs/dbraw/zinc/12/04/61/180120461.db2.gz BQXAEQJFZMWXTG-LLVKDONJSA-N 0 2 295.339 2.211 10 0 CEAELN CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)[nH+]c1C(=O)[O-] ZINC000091998385 180302868 /nfs/dbraw/zinc/30/28/68/180302868.db2.gz ASLWLNFLKXLHRN-GXSJLCMTSA-N 0 2 294.351 2.160 10 0 CEAELN CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)[nH+]c1C(=O)[O-] ZINC000091998386 180302961 /nfs/dbraw/zinc/30/29/61/180302961.db2.gz ASLWLNFLKXLHRN-KOLCDFICSA-N 0 2 294.351 2.160 10 0 CEAELN O=C([O-])c1cc(NC[C@H]2CCOC2)c2ccccc2[nH+]1 ZINC000109589139 186265112 /nfs/dbraw/zinc/26/51/12/186265112.db2.gz IHNPYPXJYDMFSD-SNVBAGLBSA-N 0 2 272.304 2.381 10 0 CEAELN Cn1cc(CNc2cc(C(=O)[O-])[nH+]c3ccccc23)cn1 ZINC000109588941 186265226 /nfs/dbraw/zinc/26/52/26/186265226.db2.gz OJQIWZCXUZZUMY-UHFFFAOYSA-N 0 2 282.303 2.279 10 0 CEAELN COC(=O)c1cc(=O)c2cc(C)cc(Br)c2[nH]1 ZINC000109596907 186265960 /nfs/dbraw/zinc/26/59/60/186265960.db2.gz ZSWLAQNLTOHNIU-UHFFFAOYSA-N 0 2 296.120 2.386 10 0 CEAELN Cc1c(O)nc(-c2ccccc2C(F)(F)F)[nH]c1=O ZINC000110620512 186305509 /nfs/dbraw/zinc/30/55/09/186305509.db2.gz LTQGBNLKHOQDSN-UHFFFAOYSA-N 0 2 270.210 2.470 10 0 CEAELN NC(=O)c1ccc(Br)c(C(F)F)c1O ZINC000575686476 366328687 /nfs/dbraw/zinc/32/86/87/366328687.db2.gz QLZLETLGILZGDA-UHFFFAOYSA-N 0 2 266.041 2.191 10 0 CEAELN Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(F)c1 ZINC000261882711 371760760 /nfs/dbraw/zinc/76/07/60/371760760.db2.gz FNRFMISZRVNKRK-FVQBIDKESA-N 0 2 296.361 2.212 10 0 CEAELN CC(C)CCC[C@H](C)NC(=O)C[N@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000262747797 371904658 /nfs/dbraw/zinc/90/46/58/371904658.db2.gz BJTJFNORJZBMOE-QWHCGFSZSA-N 0 2 298.427 2.255 10 0 CEAELN CC(C)CCC[C@H](C)NC(=O)C[N@@H+]([C@H](C)C(=O)[O-])C1CC1 ZINC000262747797 371904661 /nfs/dbraw/zinc/90/46/61/371904661.db2.gz BJTJFNORJZBMOE-QWHCGFSZSA-N 0 2 298.427 2.255 10 0 CEAELN CC[C@](C)([NH2+]Cc1nc(-c2ccccc2)no1)C(=O)[O-] ZINC000094229159 184766262 /nfs/dbraw/zinc/76/62/62/184766262.db2.gz LTFLZQGUAADAAX-AWEZNQCLSA-N 0 2 275.308 2.080 10 0 CEAELN C[C@H]1CC(CNc2cccc(C(=O)[O-])[nH+]2)C[C@H](C)O1 ZINC000263415936 154079679 /nfs/dbraw/zinc/07/96/79/154079679.db2.gz NVPXHYVLCALPHS-UWVGGRQHSA-N 0 2 264.325 2.395 10 0 CEAELN COCCCNc1[nH+]c(C(=O)[O-])cc2ccccc21 ZINC000037373137 173162995 /nfs/dbraw/zinc/16/29/95/173162995.db2.gz YITMNMPWKWNPGS-UHFFFAOYSA-N 0 2 260.293 2.381 10 0 CEAELN O=C([O-])c1cc(NCCc2ccc(O)cc2)cc[nH+]1 ZINC000040737211 174389663 /nfs/dbraw/zinc/38/96/63/174389663.db2.gz FPBNOIASEWMIEV-UHFFFAOYSA-N 0 2 258.277 2.140 10 0 CEAELN O=C([O-])[C@@H]1CS[C@H](c2ccc(Cl)c(F)c2)[NH2+]1 ZINC000043388671 175033143 /nfs/dbraw/zinc/03/31/43/175033143.db2.gz WTWMNPWYNUNXIX-DTWKUNHWSA-N 0 2 261.705 2.267 10 0 CEAELN C[C@H]([NH2+][C@@H](C)c1nc2ccccc2s1)c1nnn[n-]1 ZINC000044888385 175271467 /nfs/dbraw/zinc/27/14/67/175271467.db2.gz PXIMRQPGVVSKJV-YUMQZZPRSA-N 0 2 274.353 2.221 10 0 CEAELN CCc1c2ccccc2oc1[C@@H](C)NCc1nn[nH]n1 ZINC000044927526 175278123 /nfs/dbraw/zinc/27/81/23/175278123.db2.gz SJYVSYUXVNPLDD-SECBINFHSA-N 0 2 271.324 2.359 10 0 CEAELN FC(F)(F)Sc1ccc(CNCc2nn[nH]n2)cc1 ZINC000044927800 175278199 /nfs/dbraw/zinc/27/81/99/175278199.db2.gz REXJLCKSOFIDRG-UHFFFAOYSA-N 0 2 289.286 2.101 10 0 CEAELN Cc1cc(NS(=O)(=O)c2ccc3c(c2)NCCC3)no1 ZINC000071102988 176033439 /nfs/dbraw/zinc/03/34/39/176033439.db2.gz PLCFCJLBZKFOBM-UHFFFAOYSA-N 0 2 293.348 2.142 10 0 CEAELN O=S(=O)(Nc1ccc(F)cc1)c1ccccc1O ZINC000071598962 176223434 /nfs/dbraw/zinc/22/34/34/176223434.db2.gz DNCIBDNXVLQLDS-UHFFFAOYSA-N 0 2 267.281 2.332 10 0 CEAELN CCCO[C@@H]1CCCN(c2cccc(C(=O)[O-])[nH+]2)C1 ZINC000051067129 520277004 /nfs/dbraw/zinc/27/70/04/520277004.db2.gz QNJVIYGQTWAVPR-LLVKDONJSA-N 0 2 264.325 2.175 10 0 CEAELN CC[N@@H+](Cc1nnc(-c2cccs2)o1)C(C)(C)C(=O)[O-] ZINC000061174778 521462958 /nfs/dbraw/zinc/46/29/58/521462958.db2.gz GIWKBZYIHCDPNO-UHFFFAOYSA-N 0 2 295.364 2.483 10 0 CEAELN CC[N@H+](Cc1nnc(-c2cccs2)o1)C(C)(C)C(=O)[O-] ZINC000061174778 521462952 /nfs/dbraw/zinc/46/29/52/521462952.db2.gz GIWKBZYIHCDPNO-UHFFFAOYSA-N 0 2 295.364 2.483 10 0 CEAELN Cc1cc(F)ccc1[C@@H]1[NH2+][C@H](C(=O)[O-])CCS1 ZINC000050568786 525005146 /nfs/dbraw/zinc/00/51/46/525005146.db2.gz LFMUBDIYICFEKJ-WDEREUQCSA-N 0 2 255.314 2.312 10 0 CEAELN Cc1c(N)cccc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000061682432 525821687 /nfs/dbraw/zinc/82/16/87/525821687.db2.gz UZYVTDROQMGRSP-UHFFFAOYSA-N 0 2 294.380 2.155 10 0 CEAELN O=C([O-])[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)C1CC1 ZINC000054522311 526314020 /nfs/dbraw/zinc/31/40/20/526314020.db2.gz NEXUMTLHYCMDFN-CQSZACIVSA-N 0 2 272.304 2.294 10 0 CEAELN Cc1nc(N)sc1S(=O)(=O)Nc1ccccc1C ZINC000069365114 526959959 /nfs/dbraw/zinc/95/99/59/526959959.db2.gz CSTLWDFWVIQNQN-UHFFFAOYSA-N 0 2 283.378 2.143 10 0 CEAELN [NH3+]c1ccc(N2Cc3ccccc3C2)c(C(=O)[O-])c1 ZINC000050913652 527490627 /nfs/dbraw/zinc/49/06/27/527490627.db2.gz SJEJXIIOMXNGRP-UHFFFAOYSA-N 0 2 254.289 2.487 10 0 CEAELN CC[C@H](CO)NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000181265976 529391948 /nfs/dbraw/zinc/39/19/48/529391948.db2.gz UMVJQQPKQSVNFS-ZCFIWIBFSA-N 0 2 278.135 2.200 10 0 CEAELN COc1cc2[nH]c([C@H]3[C@H](C(=O)[O-])C3(C)C)[nH+]c2cc1OC ZINC000085404807 179053896 /nfs/dbraw/zinc/05/38/96/179053896.db2.gz YHAKLPKUJGGTNT-VXGBXAGGSA-N 0 2 290.319 2.404 10 0 CEAELN CC[C@@H](C1CC1)[NH+]1CCC(OCCC(=O)[O-])CC1 ZINC000086773625 179326437 /nfs/dbraw/zinc/32/64/37/179326437.db2.gz LLGHXRQKJCCYCD-ZDUSSCGKSA-N 0 2 255.358 2.131 10 0 CEAELN C[C@@H](c1cccnc1)[NH+]1CCC(OCCC(=O)[O-])CC1 ZINC000086773803 179326519 /nfs/dbraw/zinc/32/65/19/179326519.db2.gz LIPOFUYHACHKRF-LBPRGKRZSA-N 0 2 278.352 2.098 10 0 CEAELN CC(C)[C@H]1C[C@@H]([NH+]2CCC(OCCC(=O)[O-])CC2)CCO1 ZINC000086773669 179326570 /nfs/dbraw/zinc/32/65/70/179326570.db2.gz GSFQLDPILJPSKV-DZGCQCFKSA-N 0 2 299.411 2.146 10 0 CEAELN COC(C)(C)C[C@@H](C)[NH+]1CCC(OCCC(=O)[O-])CC1 ZINC000086773693 179326790 /nfs/dbraw/zinc/32/67/90/179326790.db2.gz DLBWTKUBYXGURN-GFCCVEGCSA-N 0 2 287.400 2.146 10 0 CEAELN CC[C@H](C(C)C)[NH+]1CCC(OCCC(=O)[O-])CC1 ZINC000086773649 179326960 /nfs/dbraw/zinc/32/69/60/179326960.db2.gz POACIMKTQNZEHI-CYBMUJFWSA-N 0 2 257.374 2.377 10 0 CEAELN O=C([O-])COC1CC[NH+]([C@@H]2CCOc3ccccc32)CC1 ZINC000086773373 179327098 /nfs/dbraw/zinc/32/70/98/179327098.db2.gz DYMMULZIDUTNDG-CQSZACIVSA-N 0 2 291.347 2.076 10 0 CEAELN CCCn1c[nH+]cc1[C@H]1[C@@H](C(=O)[O-])CCCC(=O)N1CC ZINC000090204907 179930691 /nfs/dbraw/zinc/93/06/91/179930691.db2.gz FJSXXCOVSWFAFJ-SMDDNHRTSA-N 0 2 293.367 2.067 10 0 CEAELN CCCc1ccc(S(=O)(=O)Nc2cc(C)n[nH]2)cc1 ZINC000104436231 186001334 /nfs/dbraw/zinc/00/13/34/186001334.db2.gz RNMSTPQIOJMXJU-UHFFFAOYSA-N 0 2 279.365 2.471 10 0 CEAELN C[C@@H](Cn1cccn1)n1c(=O)c2sccc2[nH]c1=S ZINC000105016436 186037926 /nfs/dbraw/zinc/03/79/26/186037926.db2.gz RQWRDMYZXDSWKO-QMMMGPOBSA-N 0 2 292.389 2.204 10 0 CEAELN COc1ccc(Cn2cc[nH+]c2)cc1/C=C\C(=O)[O-] ZINC000105223698 186047880 /nfs/dbraw/zinc/04/78/80/186047880.db2.gz YRQRQXVDKSRDQR-HYXAFXHYSA-N 0 2 258.277 2.038 10 0 CEAELN CCO[C@@H](C)[C@@H]1Oc2cc(C)c(O)c(C)c2C1=O ZINC000105652013 186066770 /nfs/dbraw/zinc/06/67/70/186066770.db2.gz DTSUGZJRYNOBGO-XPTSAGLGSA-N 0 2 250.294 2.378 10 0 CEAELN Cc1ccc(OCc2ncc(Cl)n2C)c(C(=O)[O-])[nH+]1 ZINC000091998394 180302714 /nfs/dbraw/zinc/30/27/14/180302714.db2.gz HFRYXAVHRKAZQW-UHFFFAOYSA-N 0 2 281.699 2.054 10 0 CEAELN CO[C@H]1CCC[C@@H](Oc2ccc(C)[nH+]c2C(=O)[O-])C1 ZINC000091997069 180303126 /nfs/dbraw/zinc/30/31/26/180303126.db2.gz AGESADHKBFCFLJ-WDEREUQCSA-N 0 2 265.309 2.425 10 0 CEAELN C[N@@H+]1CCCC[C@@H]1Cn1c(=O)c2ccccc2[nH]c1=S ZINC000105948094 186093841 /nfs/dbraw/zinc/09/38/41/186093841.db2.gz OCVTUDODYKOKIP-LLVKDONJSA-N 0 2 289.404 2.170 10 0 CEAELN Cc1cccc(CN(C)c2ccc([NH3+])cc2C(=O)[O-])n1 ZINC000092430218 180384201 /nfs/dbraw/zinc/38/42/01/180384201.db2.gz QTQKWSJTNJNCMT-UHFFFAOYSA-N 0 2 271.320 2.307 10 0 CEAELN COCCCN(C)c1cc(C(=O)[O-])[nH+]c2ccccc21 ZINC000109589219 186264536 /nfs/dbraw/zinc/26/45/36/186264536.db2.gz BETCUIYOVMLTBO-UHFFFAOYSA-N 0 2 274.320 2.406 10 0 CEAELN CCOc1cc2[nH]c(C(=O)OC)cc(=O)c2cc1OCC ZINC000109596685 186266213 /nfs/dbraw/zinc/26/62/13/186266213.db2.gz AYLLFHRBOPQYGZ-UHFFFAOYSA-N 0 2 291.303 2.112 10 0 CEAELN O=C([O-])c1cc(NC(=O)c2ccc(F)cc2F)cc[nH+]1 ZINC000110965276 186337768 /nfs/dbraw/zinc/33/77/68/186337768.db2.gz KFDODNUXNUMWMS-UHFFFAOYSA-N 0 2 278.214 2.310 10 0 CEAELN Cc1ccccc1OCC(=O)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000110964880 186337831 /nfs/dbraw/zinc/33/78/31/186337831.db2.gz LDQNBSHYAVRSGU-UHFFFAOYSA-N 0 2 286.287 2.106 10 0 CEAELN O=C([O-])c1cc(NC(=O)CCOc2ccccc2)cc[nH+]1 ZINC000110965099 186337939 /nfs/dbraw/zinc/33/79/39/186337939.db2.gz ONRARWRLDJYFPD-UHFFFAOYSA-N 0 2 286.287 2.187 10 0 CEAELN O=C([O-])c1cc(NC(=O)c2cccn2C2CC2)cc[nH+]1 ZINC000110966132 186338117 /nfs/dbraw/zinc/33/81/17/186338117.db2.gz KCUUYAGOWZGKJO-UHFFFAOYSA-N 0 2 271.276 2.169 10 0 CEAELN CC(C)n1cccc1C(=O)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000110965239 186338237 /nfs/dbraw/zinc/33/82/37/186338237.db2.gz JJCNXSOPJXBKQA-UHFFFAOYSA-N 0 2 273.292 2.415 10 0 CEAELN COc1cccc(NC(=O)Nc2cc[nH+]c(C(=O)[O-])c2)c1 ZINC000110966222 186338283 /nfs/dbraw/zinc/33/82/83/186338283.db2.gz VGXGVSFHCDBHAD-UHFFFAOYSA-N 0 2 287.275 2.432 10 0 CEAELN O=C([O-])[C@@H]1CCS[C@H](c2ccnc3ccccc32)[NH2+]1 ZINC000111753718 186453363 /nfs/dbraw/zinc/45/33/63/186453363.db2.gz LOHBDJJARCCCGX-QWHCGFSZSA-N 0 2 274.345 2.413 10 0 CEAELN CCCc1cc(N2CCC[C@@H](C(=O)[O-])C2)nc(CC)[nH+]1 ZINC000070452458 363083594 /nfs/dbraw/zinc/08/35/94/363083594.db2.gz ZNONIQPUFMUZHG-LLVKDONJSA-N 0 2 277.368 2.293 10 0 CEAELN CCC[N@H+](CC(=O)[O-])Cc1nnc(-c2ccc(C)cc2)o1 ZINC000038022151 283113237 /nfs/dbraw/zinc/11/32/37/283113237.db2.gz IHSPTCGSUAXSBI-UHFFFAOYSA-N 0 2 289.335 2.342 10 0 CEAELN CCC[N@@H+](CC(=O)[O-])Cc1nnc(-c2ccc(C)cc2)o1 ZINC000038022151 283113240 /nfs/dbraw/zinc/11/32/40/283113240.db2.gz IHSPTCGSUAXSBI-UHFFFAOYSA-N 0 2 289.335 2.342 10 0 CEAELN C[C@H]1CCC[C@@H](NS(=O)(=O)CC(F)(F)F)C1 ZINC000335849917 365068319 /nfs/dbraw/zinc/06/83/19/365068319.db2.gz FYGKRXGYYXJITQ-JGVFFNPUSA-N 0 2 259.293 2.047 10 0 CEAELN C[C@@H](Nc1cccc(C(=O)[O-])[nH+]1)[C@H]1CCCCO1 ZINC000262015973 296166507 /nfs/dbraw/zinc/16/65/07/296166507.db2.gz WEBKNUQEIRPVPL-MWLCHTKSSA-N 0 2 250.298 2.149 10 0 CEAELN C[C@@](Nc1cn[nH+]c2ccccc12)(C(=O)[O-])C(F)(F)F ZINC000094221968 184764925 /nfs/dbraw/zinc/76/49/25/184764925.db2.gz PBHSTXQINITRNY-LLVKDONJSA-N 0 2 285.225 2.447 10 0 CEAELN CCCC[C@H](C(=O)[O-])[C@H](O)c1c[nH+]cn1CCC ZINC000094610697 184825775 /nfs/dbraw/zinc/82/57/75/184825775.db2.gz HCCZSXPBUCKWMK-JQWIXIFHSA-N 0 2 254.330 2.218 10 0 CEAELN Cc1ccc(NC(=O)C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)cc1F ZINC000263329951 154058753 /nfs/dbraw/zinc/05/87/53/154058753.db2.gz LTQLCXHVQPIYCR-SNVBAGLBSA-N 0 2 294.326 2.010 10 0 CEAELN Cc1ccc(NC(=O)C[N@H+]([C@H](C)C(=O)[O-])C2CC2)cc1F ZINC000263329951 154058755 /nfs/dbraw/zinc/05/87/55/154058755.db2.gz LTQLCXHVQPIYCR-SNVBAGLBSA-N 0 2 294.326 2.010 10 0 CEAELN CCC[C@H](Nc1nc(NC)c2ccccc2[nH+]1)C(=O)[O-] ZINC000263562806 154126436 /nfs/dbraw/zinc/12/64/36/154126436.db2.gz SWSADSKFCIKFTK-NSHDSACASA-N 0 2 274.324 2.337 10 0 CEAELN Cc1nc(CN(C)c2ccc(C(=O)[O-])c[nH+]2)cs1 ZINC000044609916 175216635 /nfs/dbraw/zinc/21/66/35/175216635.db2.gz QMPFSVLXIPVCJL-UHFFFAOYSA-N 0 2 263.322 2.181 10 0 CEAELN C[C@@H]([NH2+]Cc1nnn[n-]1)c1cc(F)c(Cl)cc1Cl ZINC000044928956 175279350 /nfs/dbraw/zinc/27/93/50/175279350.db2.gz FRSRPWLBXPIWCF-RXMQYKEDSA-N 0 2 290.129 2.496 10 0 CEAELN Cn1cc[nH+]c1CNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000071275719 176106625 /nfs/dbraw/zinc/10/66/25/176106625.db2.gz WPDOMKLJNONWJT-UHFFFAOYSA-N 0 2 265.700 2.384 10 0 CEAELN CCO[C@@H](Cn1c[nH+]c2cc(C)c(C)cc21)C(=O)[O-] ZINC000062757642 520315774 /nfs/dbraw/zinc/31/57/74/520315774.db2.gz VBIRAOZRKHRZLR-ZDUSSCGKSA-N 0 2 262.309 2.143 10 0 CEAELN COc1cc2[nH]c(C(F)F)cc(=O)c2c(OC)c1OC ZINC000061629451 522987231 /nfs/dbraw/zinc/98/72/31/522987231.db2.gz VGRMJXYTSKGATQ-UHFFFAOYSA-N 0 2 285.246 2.492 10 0 CEAELN CCn1cc[nH+]c1Cn1cc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000054743733 523547564 /nfs/dbraw/zinc/54/75/64/523547564.db2.gz FQRKTBQIUIKUPV-UHFFFAOYSA-N 0 2 287.241 2.470 10 0 CEAELN COc1ccccc1CNc1cccc(C(=O)[O-])[nH+]1 ZINC000051041866 524491848 /nfs/dbraw/zinc/49/18/48/524491848.db2.gz IZGNWBYYAPPPBM-UHFFFAOYSA-N 0 2 258.277 2.401 10 0 CEAELN COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])CCS2)cc1C ZINC000050596492 525429907 /nfs/dbraw/zinc/42/99/07/525429907.db2.gz GDZATFUBPHSCLI-JQWIXIFHSA-N 0 2 267.350 2.182 10 0 CEAELN CSCCC[NH2+]c1cc(C(=O)[O-])c(N)cc1F ZINC000069462770 525483593 /nfs/dbraw/zinc/48/35/93/525483593.db2.gz AXFWNRAUSSRUMB-UHFFFAOYSA-N 0 2 258.318 2.271 10 0 CEAELN O=C([O-])c1ccc(N2CCOc3ccccc3C2)[nH+]c1 ZINC000063013374 526374017 /nfs/dbraw/zinc/37/40/17/526374017.db2.gz XRPWYWVYOJCFBN-UHFFFAOYSA-N 0 2 270.288 2.179 10 0 CEAELN Cc1ccc(C)c(NC(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000263304609 631400108 /nfs/dbraw/zinc/40/01/08/631400108.db2.gz DVTFEUYNFBRKCA-LBPRGKRZSA-N 0 2 290.363 2.179 10 0 CEAELN Cc1ccc(C)c(NC(=O)C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000263304609 631400111 /nfs/dbraw/zinc/40/01/11/631400111.db2.gz DVTFEUYNFBRKCA-LBPRGKRZSA-N 0 2 290.363 2.179 10 0 CEAELN Oc1cc(C(F)F)cc2nc(CC(F)(F)F)nn21 ZINC000725243260 539190740 /nfs/dbraw/zinc/19/07/40/539190740.db2.gz SWHSKYTYVBHDRB-UHFFFAOYSA-N 0 2 267.157 2.477 10 0 CEAELN O=c1[nH]nc(-c2ccc(Cl)c(Br)c2)[nH]1 ZINC000126886428 344327226 /nfs/dbraw/zinc/32/72/26/344327226.db2.gz ADPOCZGMQYGSLE-UHFFFAOYSA-N 0 2 274.505 2.181 10 0 CEAELN C[C@H](CCO)NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000127228077 187290709 /nfs/dbraw/zinc/29/07/09/187290709.db2.gz IRDOOSHSBGBRBT-ZCFIWIBFSA-N 0 2 278.135 2.200 10 0 CEAELN O=C([O-])[C@@H]1CCC[C@@H]1Nc1cn[nH+]c2ccccc12 ZINC000085328940 179019930 /nfs/dbraw/zinc/01/99/30/179019930.db2.gz SPRCSUBTEABKCM-MNOVXSKESA-N 0 2 257.293 2.295 10 0 CEAELN CCCc1[nH+]c2cc(C(=O)[O-])ccc2n1CC[C@@H](C)O ZINC000086017215 179216309 /nfs/dbraw/zinc/21/63/09/179216309.db2.gz LEUXLTAKJYTPLX-SNVBAGLBSA-N 0 2 276.336 2.458 10 0 CEAELN CC(C)c1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@@H](C)CO ZINC000086634616 179314763 /nfs/dbraw/zinc/31/47/63/179314763.db2.gz LSJXXZLHYAWIDT-SNVBAGLBSA-N 0 2 276.336 2.486 10 0 CEAELN CC(C)c1[nH+]c2cc(C(=O)[O-])ccc2n1C[C@H](C)CO ZINC000086634617 179315033 /nfs/dbraw/zinc/31/50/33/179315033.db2.gz LSJXXZLHYAWIDT-JTQLQIEISA-N 0 2 276.336 2.486 10 0 CEAELN O=C([O-])c1cc(NC(=O)c2c(F)cc(F)cc2F)cc[nH+]1 ZINC000086996110 179376655 /nfs/dbraw/zinc/37/66/55/179376655.db2.gz CXUSDCQZCCSGAG-UHFFFAOYSA-N 0 2 296.204 2.449 10 0 CEAELN Cc1nc(N2CCCC[C@H]2C(=O)[O-])cc(C(C)C)[nH+]1 ZINC000045951287 302562330 /nfs/dbraw/zinc/56/23/30/302562330.db2.gz NRPGYXOGNOIGLB-LBPRGKRZSA-N 0 2 263.341 2.352 10 0 CEAELN COC(=O)c1cc(NC[C@@H]2CCCC[C@H]2C(=O)[O-])cc[nH+]1 ZINC000090736627 180034098 /nfs/dbraw/zinc/03/40/98/180034098.db2.gz RXKNPEYBDLZORH-CMPLNLGQSA-N 0 2 292.335 2.171 10 0 CEAELN Nc1cc(F)c(F)c(S(=O)(=O)Nc2ccsc2)c1 ZINC000090866431 180047721 /nfs/dbraw/zinc/04/77/21/180047721.db2.gz DIGYPBYPIQVRIJ-UHFFFAOYSA-N 0 2 290.316 2.409 10 0 CEAELN Cc1nc(N[C@@H](C)c2nc(C(=O)[O-])cs2)cc[nH+]1 ZINC000090943221 180068668 /nfs/dbraw/zinc/06/86/68/180068668.db2.gz LXFCWJUBZMSJTM-LURJTMIESA-N 0 2 264.310 2.113 10 0 CEAELN CC(C)n1cncc1[C@@H]([NH2+]Cc1ccccc1)C(=O)[O-] ZINC000091272646 180117929 /nfs/dbraw/zinc/11/79/29/180117929.db2.gz KEZQBGGAXPOUCS-CQSZACIVSA-N 0 2 273.336 2.380 10 0 CEAELN O=C([O-])c1cccc2[nH+]c(NCC3CC(O)C3)ccc21 ZINC000091526012 180178719 /nfs/dbraw/zinc/17/87/19/180178719.db2.gz SLDVONYHWUJUQR-UHFFFAOYSA-N 0 2 272.304 2.116 10 0 CEAELN CO[C@H]1CCC[C@H](Oc2ccc(C)[nH+]c2C(=O)[O-])C1 ZINC000091997070 180303249 /nfs/dbraw/zinc/30/32/49/180303249.db2.gz AGESADHKBFCFLJ-QWRGUYRKSA-N 0 2 265.309 2.425 10 0 CEAELN CC(C)(C)c1noc(C[N@@H+](CC(=O)[O-])C(C)(C)C)n1 ZINC000092449115 180386952 /nfs/dbraw/zinc/38/69/52/180386952.db2.gz GITRZFLHRZNKPA-UHFFFAOYSA-N 0 2 269.345 2.052 10 0 CEAELN CC(C)(C)c1noc(C[N@H+](CC(=O)[O-])C(C)(C)C)n1 ZINC000092449115 180386953 /nfs/dbraw/zinc/38/69/53/180386953.db2.gz GITRZFLHRZNKPA-UHFFFAOYSA-N 0 2 269.345 2.052 10 0 CEAELN O=c1cc(-c2ccccc2)[nH]n1[C@@H]1CCCCC[C@H]1O ZINC000107889370 186196331 /nfs/dbraw/zinc/19/63/31/186196331.db2.gz YFSMDKIXMKOLRC-HUUCEWRRSA-N 0 2 272.348 2.317 10 0 CEAELN C[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])[nH+]1 ZINC000110933648 186334808 /nfs/dbraw/zinc/33/48/08/186334808.db2.gz OJNAKGVVBNPZLC-JTQLQIEISA-N 0 2 286.287 2.186 10 0 CEAELN O=C([O-])c1cccc(NC(=O)CCc2ccccc2O)[nH+]1 ZINC000110934078 186334901 /nfs/dbraw/zinc/33/49/01/186334901.db2.gz IKAGDVLUNXNKSF-UHFFFAOYSA-N 0 2 286.287 2.057 10 0 CEAELN O=C(/C=C/c1ccco1)Nc1cc[nH+]c(C(=O)[O-])c1 ZINC000110965800 186337943 /nfs/dbraw/zinc/33/79/43/186337943.db2.gz MSAVIURMOKEAGI-ONEGZZNKSA-N 0 2 258.233 2.025 10 0 CEAELN Cc1cc([NH2+][C@H](CO)CC(C)C)cc(C(=O)[O-])c1N ZINC000094694610 184840255 /nfs/dbraw/zinc/84/02/55/184840255.db2.gz YTYNVFLLKHHWRI-NSHDSACASA-N 0 2 266.341 2.094 10 0 CEAELN O=C([O-])c1cc(N2C[C@H]3CC[C@@H](C2)O3)c2ccccc2[nH+]1 ZINC000090908643 135066789 /nfs/dbraw/zinc/06/67/89/135066789.db2.gz RNWHGNKNSFBCSS-PHIMTYICSA-N 0 2 284.315 2.301 10 0 CEAELN CN1c2ccccc2C(C(=O)Nc2ccccc2)C1=O ZINC000005175855 170073418 /nfs/dbraw/zinc/07/34/18/170073418.db2.gz YSWIKZFIFHWDCV-CQSZACIVSA-N 0 2 266.300 2.385 10 0 CEAELN COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])CS2)cc1Cl ZINC000009280490 170369984 /nfs/dbraw/zinc/36/99/84/170369984.db2.gz COYKUGIVNFDNKZ-SCZZXKLOSA-N 0 2 273.741 2.137 10 0 CEAELN Nc1ccc(S(=O)(=O)Nc2nccs2)c(Cl)c1 ZINC000021511638 171310592 /nfs/dbraw/zinc/31/05/92/171310592.db2.gz CDCRCMLJYUDHPH-UHFFFAOYSA-N 0 2 289.769 2.180 10 0 CEAELN Cc1ccc(N)cc1NS(=O)(=O)c1cccs1 ZINC000022141138 171355124 /nfs/dbraw/zinc/35/51/24/171355124.db2.gz YLBMSTDYFLQTMF-UHFFFAOYSA-N 0 2 268.363 2.440 10 0 CEAELN O=C([O-])c1cc(OCCOc2ccccc2)cc[nH+]1 ZINC000037323858 173124065 /nfs/dbraw/zinc/12/40/65/173124065.db2.gz MCDKJMDRQUYOCU-UHFFFAOYSA-N 0 2 259.261 2.238 10 0 CEAELN Nc1cccc(OCc2nc(=O)c3sccc3[nH]2)c1 ZINC000038054818 174066480 /nfs/dbraw/zinc/06/64/80/174066480.db2.gz KGYKZIZHDMFLIH-UHFFFAOYSA-N 0 2 273.317 2.146 10 0 CEAELN CCc1[nH+]c2cc(C(=O)[O-])ccc2n1Cc1cnn(C)c1 ZINC000045136309 175313658 /nfs/dbraw/zinc/31/36/58/175313658.db2.gz BXZBZRHXEVCDIY-UHFFFAOYSA-N 0 2 284.319 2.079 10 0 CEAELN COc1ccc2[nH+]c(C)cc(O[C@@H](C)C(=O)[O-])c2c1 ZINC000045928196 175387044 /nfs/dbraw/zinc/38/70/44/175387044.db2.gz AMNYTOUQSSFMEJ-VIFPVBQESA-N 0 2 261.277 2.404 10 0 CEAELN Cc1ccncc1NS(=O)(=O)c1c(F)cc(N)cc1F ZINC000071413569 176158978 /nfs/dbraw/zinc/15/89/78/176158978.db2.gz MQIINJZNPIBPFJ-UHFFFAOYSA-N 0 2 299.302 2.051 10 0 CEAELN CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424273371 271037893 /nfs/dbraw/zinc/03/78/93/271037893.db2.gz SMWJIBGDOJRIBC-DGCLKSJQSA-N 0 2 265.357 2.149 10 0 CEAELN CC(C)n1ccnc1C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424273371 271037895 /nfs/dbraw/zinc/03/78/95/271037895.db2.gz SMWJIBGDOJRIBC-DGCLKSJQSA-N 0 2 265.357 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