smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1sccc1CN1CCCSCC1 ZINC000082501705 178066086 /nfs/dbraw/zinc/06/60/86/178066086.db2.gz ULFMDJMKQFHGCB-UHFFFAOYSA-N -1 3 257.380 2.385 10 0 CEAEHM CCOC(=O)c1n[n-]c2ncc(C(F)(F)F)cc21 ZINC000095830981 185029960 /nfs/dbraw/zinc/02/99/60/185029960.db2.gz VNCFURITHGARKY-UHFFFAOYSA-N -1 3 259.187 2.153 10 0 CEAEHM CC(C)(C)OC(=O)c1nn[n-]c1C1CCSCC1 ZINC000725266417 539213557 /nfs/dbraw/zinc/21/35/57/539213557.db2.gz VUEUUURGICRJRG-UHFFFAOYSA-N -1 3 269.370 2.371 10 0 CEAEHM CC(C)(C)OC(=O)c1[n-]nnc1C1CCSCC1 ZINC000725266417 539213559 /nfs/dbraw/zinc/21/35/59/539213559.db2.gz VUEUUURGICRJRG-UHFFFAOYSA-N -1 3 269.370 2.371 10 0 CEAEHM CC(C)(C)OC(=O)c1n[n-]nc1C1CCSCC1 ZINC000725266417 539213561 /nfs/dbraw/zinc/21/35/61/539213561.db2.gz VUEUUURGICRJRG-UHFFFAOYSA-N -1 3 269.370 2.371 10 0 CEAEHM COC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000105568386 344256693 /nfs/dbraw/zinc/25/66/93/344256693.db2.gz AQFDNNSMSPVCLF-ONEGZZNKSA-N -1 3 287.109 2.350 10 0 CEAEHM O=C([O-])[C@H]1NCCc2c(Br)cc(Cl)cc21 ZINC000126836661 344326313 /nfs/dbraw/zinc/32/63/13/344326313.db2.gz DFUVFGJGIOUIEG-VIFPVBQESA-N -1 3 290.544 2.374 10 0 CEAEHM CC(C)=CCNc1nc[n-]c2nc(Br)nc1-2 ZINC000150179116 344416474 /nfs/dbraw/zinc/41/64/74/344416474.db2.gz SKCMAMITPOYXNX-UHFFFAOYSA-N -1 3 282.145 2.494 10 0 CEAEHM CC(C)=CCNc1[n-]cnc2nc(Br)nc1-2 ZINC000150179116 344416477 /nfs/dbraw/zinc/41/64/77/344416477.db2.gz SKCMAMITPOYXNX-UHFFFAOYSA-N -1 3 282.145 2.494 10 0 CEAEHM CC(C)=CCNc1ncnc2[n-]c(Br)nc21 ZINC000150179116 344416479 /nfs/dbraw/zinc/41/64/79/344416479.db2.gz SKCMAMITPOYXNX-UHFFFAOYSA-N -1 3 282.145 2.494 10 0 CEAEHM CC(C)=CCNc1ncnc2nc(Br)[n-]c21 ZINC000150179116 344416482 /nfs/dbraw/zinc/41/64/82/344416482.db2.gz SKCMAMITPOYXNX-UHFFFAOYSA-N -1 3 282.145 2.494 10 0 CEAEHM CN(Cc1oncc1C(=O)[O-])CC1CCCCC1 ZINC000306104506 344711978 /nfs/dbraw/zinc/71/19/78/344711978.db2.gz RMULYZLTNZJBEA-UHFFFAOYSA-N -1 3 252.314 2.385 10 0 CEAEHM CCNC(=O)c1cc(Cl)c(C(F)(F)F)[n-]c1=O ZINC000584632838 344969997 /nfs/dbraw/zinc/96/99/97/344969997.db2.gz PLTDYJZMUSQDJZ-UHFFFAOYSA-N -1 3 268.622 2.209 10 0 CEAEHM O=C([N-]c1cc(F)cnc1Br)c1ccon1 ZINC000584632183 344970054 /nfs/dbraw/zinc/97/00/54/344970054.db2.gz OXXQLURIHYXWAW-UHFFFAOYSA-N -1 3 286.060 2.224 10 0 CEAEHM CNc1nc(CSc2ccc(C)cc2)cc(=O)[n-]1 ZINC000058824037 362640474 /nfs/dbraw/zinc/64/04/74/362640474.db2.gz FPJHVIVAQSYDMA-UHFFFAOYSA-N -1 3 261.350 2.412 10 0 CEAEHM C[C@H]1CCCCN1Cc1ccc(S(=O)(=O)[O-])cc1 ZINC000058824807 362640764 /nfs/dbraw/zinc/64/07/64/362640764.db2.gz KVTQCPCUAMXFRG-NSHDSACASA-N -1 3 269.366 2.308 10 0 CEAEHM CC(=O)[N-]C(=O)c1ccc(-c2ccc(Cl)cc2N)o1 ZINC000085346824 179028890 /nfs/dbraw/zinc/02/88/90/179028890.db2.gz XOFRSIPOBYICKW-UHFFFAOYSA-N -1 3 278.695 2.459 10 0 CEAEHM Cc1ccc(F)c(OC[C@@](N)(C(=O)[O-])c2ccccc2)c1 ZINC000085561449 179094230 /nfs/dbraw/zinc/09/42/30/179094230.db2.gz MSMYPPHXAXVJGG-INIZCTEOSA-N -1 3 289.306 2.452 10 0 CEAEHM CC[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1cccc(Cl)c1 ZINC000085819206 179182122 /nfs/dbraw/zinc/18/21/22/179182122.db2.gz DZRMQDFDOCRTHA-NWDGAFQWSA-N -1 3 298.770 2.099 10 0 CEAEHM CC(C)c1ccc([C@H](C)NC(=O)[C@@H](N)CCC(=O)[O-])cc1 ZINC000085819526 179182801 /nfs/dbraw/zinc/18/28/01/179182801.db2.gz BGCZTTBQYDOXLR-FZMZJTMJSA-N -1 3 292.379 2.179 10 0 CEAEHM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(O)cc2)C1 ZINC000086773085 179325556 /nfs/dbraw/zinc/32/55/56/179325556.db2.gz DULOHJWKYFNZHI-LBPRGKRZSA-N -1 3 289.253 2.231 10 0 CEAEHM CCN([C@@H](C)CC(=O)[O-])[C@@H]1COc2cc(O)ccc21 ZINC000086763355 179325731 /nfs/dbraw/zinc/32/57/31/179325731.db2.gz HFINOXLRKULPQL-JOYOIKCWSA-N -1 3 265.309 2.011 10 0 CEAEHM C[C@H](c1cccnc1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000086773179 179326542 /nfs/dbraw/zinc/32/65/42/179326542.db2.gz HJRRTJQYJRDYCC-BXKDBHETSA-N -1 3 288.269 2.482 10 0 CEAEHM C[C@H]1C[N@H+](Cc2ccc([O-])c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000086774455 179326860 /nfs/dbraw/zinc/32/68/60/179326860.db2.gz NMLSFHHHPZXNGW-WPRPVWTQSA-N -1 3 269.728 2.198 10 0 CEAEHM C[C@H]1C[N@@H+](Cc2ccc([O-])c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000086774455 179326863 /nfs/dbraw/zinc/32/68/63/179326863.db2.gz NMLSFHHHPZXNGW-WPRPVWTQSA-N -1 3 269.728 2.198 10 0 CEAEHM CN(CCC(=O)[O-])Cc1cccc2c1OC(C)(C)C2 ZINC000086774881 179328206 /nfs/dbraw/zinc/32/82/06/179328206.db2.gz UFJCJXJNPOPFGH-UHFFFAOYSA-N -1 3 263.337 2.307 10 0 CEAEHM C[C@H](N[C@@H](C(=O)[O-])C1CC1)c1nc2ccccc2n1C ZINC000086758611 179323244 /nfs/dbraw/zinc/32/32/44/179323244.db2.gz AIZCBHCMTHTDOS-TVQRCGJNSA-N -1 3 273.336 2.087 10 0 CEAEHM Cn1ccc([N-]c2nc(Br)cs2)n1 ZINC000086781038 179330098 /nfs/dbraw/zinc/33/00/98/179330098.db2.gz KBIYJDSTHYVIDH-UHFFFAOYSA-N -1 3 259.132 2.383 10 0 CEAEHM CC(C)[N-]S(=O)(=O)c1occc1-c1cccc(C=O)c1 ZINC000675053246 539653252 /nfs/dbraw/zinc/65/32/52/539653252.db2.gz FOJLSGUBSCWYIC-UHFFFAOYSA-N -1 3 293.344 2.446 10 0 CEAEHM NCc1nc(C(=O)[N-]c2c(F)cc(F)cc2F)cs1 ZINC000090932182 180066138 /nfs/dbraw/zinc/06/61/38/180066138.db2.gz GVWKWAWLSNSUNG-UHFFFAOYSA-N -1 3 287.266 2.271 10 0 CEAEHM CN(C)[C@H]1CCCN(C(=O)Nc2sccc2C(=O)[O-])C1 ZINC000091449074 180157319 /nfs/dbraw/zinc/15/73/19/180157319.db2.gz DWNSQSMCIWSZLJ-VIFPVBQESA-N -1 3 297.380 2.004 10 0 CEAEHM Cc1nc(C)c([C@@H](C)Nc2cccnc2C)c(=O)[n-]1 ZINC000091495861 180171123 /nfs/dbraw/zinc/17/11/23/180171123.db2.gz SCKUKOPAKLLADY-SNVBAGLBSA-N -1 3 258.325 2.263 10 0 CEAEHM Cc1ccc([O-])c(CNc2ccccc2C(=O)N(C)C)n1 ZINC000091994188 180301022 /nfs/dbraw/zinc/30/10/22/180301022.db2.gz WAQKDNRKYDAYHK-UHFFFAOYSA-N -1 3 285.347 2.410 10 0 CEAEHM Cc1ccc([O-])c(CN2CCc3c(N)cccc3C2)n1 ZINC000091996043 180301744 /nfs/dbraw/zinc/30/17/44/180301744.db2.gz UMHUHMFUSMINBO-UHFFFAOYSA-N -1 3 269.348 2.236 10 0 CEAEHM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc([O-])cc1 ZINC000092331867 180364398 /nfs/dbraw/zinc/36/43/98/180364398.db2.gz MVIOYJOFOXVUJW-MRVPVSSYSA-N -1 3 260.293 2.488 10 0 CEAEHM COc1ccc(C(C)(C)C)cc1CNCC(=O)[O-] ZINC000107295108 186168624 /nfs/dbraw/zinc/16/86/24/186168624.db2.gz IMCDBRWOSMOJIE-UHFFFAOYSA-N -1 3 251.326 2.167 10 0 CEAEHM O=C([O-])c1cccc(F)c1N1CC[C@H](N2CCCC2)C1 ZINC000110345411 186292859 /nfs/dbraw/zinc/29/28/59/186292859.db2.gz RASLRMOFRMBPOE-NSHDSACASA-N -1 3 278.327 2.198 10 0 CEAEHM CC(=O)c1ccccc1[N-]S(=O)(=O)C(C)(C)C ZINC000111072548 186350968 /nfs/dbraw/zinc/35/09/68/186350968.db2.gz DHCWPWHVZRPGHE-UHFFFAOYSA-N -1 3 255.339 2.429 10 0 CEAEHM COC(=O)c1c[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000072416895 363132802 /nfs/dbraw/zinc/13/28/02/363132802.db2.gz PSKUMHDCAHMYHL-UHFFFAOYSA-N -1 3 252.657 2.018 10 0 CEAEHM CCC[C@@H](C(=O)Nc1cc(F)ccc1[O-])N(C)C ZINC000132135305 366121498 /nfs/dbraw/zinc/12/14/98/366121498.db2.gz ZDFIZRWVQOLNKQ-NSHDSACASA-N -1 3 254.305 2.200 10 0 CEAEHM Nc1c([O-])c(Br)ccc1OC(F)F ZINC000575722059 366346920 /nfs/dbraw/zinc/34/69/20/366346920.db2.gz DXLZHZSPNLSXQC-UHFFFAOYSA-N -1 3 254.030 2.338 10 0 CEAEHM CCCCCC[C@@H]([C@@H](C)O)n1cnc2c1nc[n-]c2=O ZINC000004217183 361304969 /nfs/dbraw/zinc/30/49/69/361304969.db2.gz RSMDQPNZAPMDJC-MNOVXSKESA-N -1 3 278.356 2.012 10 0 in-man CEAEHM COC(=O)c1cc([O-])c2cc(OC)c(OC)cc2c1 ZINC000082319730 363763902 /nfs/dbraw/zinc/76/39/02/363763902.db2.gz JTOIQIURFBFTNG-UHFFFAOYSA-N -1 3 262.261 2.349 10 0 CEAEHM Cc1cccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c1[O-] ZINC000176185063 368209262 /nfs/dbraw/zinc/20/92/62/368209262.db2.gz COBDVWWZEJXWSP-CYBMUJFWSA-N -1 3 285.347 2.202 10 0 CEAEHM O=C(c1cccc2[n-]nnc21)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000187966873 369264092 /nfs/dbraw/zinc/26/40/92/369264092.db2.gz JASWRCVGPFLMHN-CYBMUJFWSA-N -1 3 296.334 2.048 10 0 CEAEHM O=C(c1cccc2nn[n-]c21)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000187966873 369264097 /nfs/dbraw/zinc/26/40/97/369264097.db2.gz JASWRCVGPFLMHN-CYBMUJFWSA-N -1 3 296.334 2.048 10 0 CEAEHM O=C(c1cccc2n[n-]nc21)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000187966873 369264101 /nfs/dbraw/zinc/26/41/01/369264101.db2.gz JASWRCVGPFLMHN-CYBMUJFWSA-N -1 3 296.334 2.048 10 0 CEAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000248712074 371237024 /nfs/dbraw/zinc/23/70/24/371237024.db2.gz CWUZZAPBSQIJHF-HEHGZKQESA-N -1 3 291.395 2.179 10 0 CEAEHM Cc1ccc([C@@H](C)NC(=O)c2cccc3nn[n-]c32)o1 ZINC000182690793 542283337 /nfs/dbraw/zinc/28/33/37/542283337.db2.gz AHWUDIGDJNTTCZ-SECBINFHSA-N -1 3 270.292 2.350 10 0 CEAEHM Cc1ccc([C@@H](C)NC(=O)c2cccc3[n-]nnc32)o1 ZINC000182690793 542283341 /nfs/dbraw/zinc/28/33/41/542283341.db2.gz AHWUDIGDJNTTCZ-SECBINFHSA-N -1 3 270.292 2.350 10 0 CEAEHM Cc1ccc([C@@H](C)NC(=O)c2cccc3n[n-]nc32)o1 ZINC000182690793 542283345 /nfs/dbraw/zinc/28/33/45/542283345.db2.gz AHWUDIGDJNTTCZ-SECBINFHSA-N -1 3 270.292 2.350 10 0 CEAEHM C[C@@H](c1cccc(Cl)c1)N1CCN(CC(=O)[O-])CC1 ZINC000086730741 184610860 /nfs/dbraw/zinc/61/08/60/184610860.db2.gz HJUPLDAACYZGAQ-NSHDSACASA-N -1 3 282.771 2.103 10 0 CEAEHM CCN[C@H](C)c1cc(F)ccc1O[C@H](C)C(=O)[O-] ZINC000094618627 184828088 /nfs/dbraw/zinc/82/80/88/184828088.db2.gz CBJRIMDLKIAAOJ-RKDXNWHRSA-N -1 3 255.289 2.348 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000040480928 134862096 /nfs/dbraw/zinc/86/20/96/134862096.db2.gz YCTLJEGZCASADP-YGRLFVJLSA-N -1 3 290.363 2.037 10 0 CEAEHM CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000248876654 394548653 /nfs/dbraw/zinc/54/86/53/394548653.db2.gz MRLNRXTZMRFNMV-NOZJJQNGSA-N -1 3 298.333 2.129 10 0 CEAEHM [O-]c1ccccc1-c1nc(COC[C@@H]2CCCO2)no1 ZINC000647721639 395748899 /nfs/dbraw/zinc/74/88/99/395748899.db2.gz ISVNXPFVRCHYFU-JTQLQIEISA-N -1 3 276.292 2.138 10 0 CEAEHM Cc1cc(/C=C/C(=O)[O-])cc(C)c1OCCN(C)C ZINC000020526415 171239582 /nfs/dbraw/zinc/23/95/82/171239582.db2.gz JNEOIIWUNMTWEG-AATRIKPKSA-N -1 3 263.337 2.342 10 0 CEAEHM Cc1ccc(NC(=O)CNCCCC(=O)[O-])cc1Cl ZINC000035415676 172190263 /nfs/dbraw/zinc/19/02/63/172190263.db2.gz QXCQGOFENXENMT-UHFFFAOYSA-N -1 3 284.743 2.041 10 0 CEAEHM C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)s1)c1ccco1 ZINC000035739425 172393097 /nfs/dbraw/zinc/39/30/97/172393097.db2.gz SJZOWQBHRZUUMU-ZCFIWIBFSA-N -1 3 292.769 2.429 10 0 CEAEHM CCN[C@H](C(=O)[O-])c1cc(Br)ccc1F ZINC000037181787 173013890 /nfs/dbraw/zinc/01/38/90/173013890.db2.gz JNKPTWPJTUPQNW-VIFPVBQESA-N -1 3 276.105 2.323 10 0 CEAEHM CCN(CCC(=O)[O-])CC(=O)N(C(C)C)C1CCCCC1 ZINC000038025160 174009067 /nfs/dbraw/zinc/00/90/67/174009067.db2.gz WOEPDNLSEAEIKF-UHFFFAOYSA-N -1 3 298.427 2.353 10 0 CEAEHM CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000040480119 174284371 /nfs/dbraw/zinc/28/43/71/174284371.db2.gz HUXRORMLMVONET-BXKDBHETSA-N -1 3 264.325 2.005 10 0 CEAEHM CC(C)(C)N(CCC(=O)[O-])C(=O)C[C@H](N)c1ccccc1 ZINC000040484448 174288036 /nfs/dbraw/zinc/28/80/36/174288036.db2.gz QPXZJMAAVPVVAF-ZDUSSCGKSA-N -1 3 292.379 2.178 10 0 CEAEHM CC[C@@H](C)NCC(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484646 174288178 /nfs/dbraw/zinc/28/81/78/174288178.db2.gz KPSKZUYQAXZAMC-SNVBAGLBSA-N -1 3 298.770 2.146 10 0 CEAEHM Cc1ccc2cccc(Oc3nc[n-]c(=O)c3N)c2n1 ZINC000040752352 174395847 /nfs/dbraw/zinc/39/58/47/174395847.db2.gz QWTNQSBGSVEVSU-UHFFFAOYSA-N -1 3 268.276 2.001 10 0 CEAEHM CCCNC(=O)c1cc(-c2cc(C)ccc2F)nc(=O)[n-]1 ZINC000041190685 174508618 /nfs/dbraw/zinc/50/86/18/174508618.db2.gz SHDBLMREIOTZSD-UHFFFAOYSA-N -1 3 289.310 2.024 10 0 CEAEHM O=C([O-])/C=C/c1csc(CN2CCCC[C@H]2CO)c1 ZINC000043699244 175097622 /nfs/dbraw/zinc/09/76/22/175097622.db2.gz FZRJQUZOYABOBA-ITKZLYELSA-N -1 3 281.377 2.193 10 0 CEAEHM COC[C@@H](C)N(C)Cc1cc(/C=C/C(=O)[O-])cs1 ZINC000043699189 175097700 /nfs/dbraw/zinc/09/77/00/175097700.db2.gz CEPIOUWQIZTEMS-ORAHPGNNSA-N -1 3 269.366 2.313 10 0 CEAEHM CCOc1ccc([C@@H](C)N[C@@H](C)c2nn[n-]n2)cc1 ZINC000044888134 175271078 /nfs/dbraw/zinc/27/10/78/175271078.db2.gz ROGQAQJDRSKCND-ZJUUUORDSA-N -1 3 261.329 2.010 10 0 CEAEHM CCc1ccc([C@H](C)N[C@@H](C)c2nn[n-]n2)s1 ZINC000044926645 175277925 /nfs/dbraw/zinc/27/79/25/175277925.db2.gz PKUQCMIYZXIIHM-YUMQZZPRSA-N -1 3 251.359 2.235 10 0 CEAEHM CCc1ccc([C@H](C)N[C@@H](C)c2nnn[n-]2)s1 ZINC000044926645 175277926 /nfs/dbraw/zinc/27/79/26/175277926.db2.gz PKUQCMIYZXIIHM-YUMQZZPRSA-N -1 3 251.359 2.235 10 0 CEAEHM Cn1cc(CNc2c(C(=O)[O-])cnc3ccccc32)cn1 ZINC000045137577 175314548 /nfs/dbraw/zinc/31/45/48/175314548.db2.gz GAKOAYZYGWOMRR-UHFFFAOYSA-N -1 3 282.303 2.279 10 0 CEAEHM Cc1ccc([N-]S(=O)(=O)c2cnccc2N)c(Cl)c1 ZINC000071228160 176090775 /nfs/dbraw/zinc/09/07/75/176090775.db2.gz GEDOJNMOWUFMJE-UHFFFAOYSA-N -1 3 297.767 2.426 10 0 CEAEHM CN1CC[C@@H](Nc2nc3ccccc3cc2C(=O)[O-])C1 ZINC000071386801 176147887 /nfs/dbraw/zinc/14/78/87/176147887.db2.gz LOLVIUNYWKQWNC-LLVKDONJSA-N -1 3 271.320 2.049 10 0 CEAEHM Cc1ccc(O[C@H](C)C(=O)[O-])c(CNC(C)C)c1 ZINC000071406490 176155985 /nfs/dbraw/zinc/15/59/85/176155985.db2.gz YROOHCWAKYSECN-LLVKDONJSA-N -1 3 251.326 2.345 10 0 CEAEHM CCCN1CCN(c2ccc(C(=O)[O-])cc2C)CC1 ZINC000050545795 519860331 /nfs/dbraw/zinc/86/03/31/519860331.db2.gz NJEPLHMLJXZMFI-UHFFFAOYSA-N -1 3 262.353 2.225 10 0 CEAEHM CCC(CC)N(CCOC)Cc1ccnc(C(=O)[O-])c1 ZINC000068763780 521558271 /nfs/dbraw/zinc/55/82/71/521558271.db2.gz FKQZCVWDUVZZBF-UHFFFAOYSA-N -1 3 280.368 2.417 10 0 CEAEHM CCN1CCC(N(C)c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000054968591 521567813 /nfs/dbraw/zinc/56/78/13/521567813.db2.gz LEMRDENNRHJQFR-UHFFFAOYSA-N -1 3 283.397 2.070 10 0 CEAEHM CCN(Cc1ncc(C)c(OC)c1C)C[C@H](C)C(=O)[O-] ZINC000061218810 521460304 /nfs/dbraw/zinc/46/03/04/521460304.db2.gz FHCCXHFTYSNZSG-NSHDSACASA-N -1 3 280.368 2.250 10 0 CEAEHM CN(Cc1ccncc1)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000062752535 523463000 /nfs/dbraw/zinc/46/30/00/523463000.db2.gz JKXAWCVTOLICMD-OAHLLOKOSA-N -1 3 270.332 2.382 10 0 CEAEHM CC[C@@]1(C(=O)[O-])CCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000062937042 523702070 /nfs/dbraw/zinc/70/20/70/523702070.db2.gz IBKYJBBYPBSHMI-CYBMUJFWSA-N -1 3 285.775 2.069 10 0 CEAEHM CN1CCC(Oc2nc3c(cc2C(=O)[O-])CCCC3)CC1 ZINC000054553666 523783637 /nfs/dbraw/zinc/78/36/37/523783637.db2.gz CMNVOSRGJLQTDS-UHFFFAOYSA-N -1 3 290.363 2.132 10 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CEAEHM CCCCN1CCOC[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000184179406 189378837 /nfs/dbraw/zinc/37/88/37/189378837.db2.gz PKIBXELZLUXGFN-AWEZNQCLSA-N -1 3 292.379 2.140 10 0 CEAEHM CCC[C@@H](NCc1ccn(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000185027649 189401686 /nfs/dbraw/zinc/40/16/86/189401686.db2.gz VZSGDFQIYFOYEG-CQSZACIVSA-N -1 3 291.326 2.354 10 0 CEAEHM C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)CCS1 ZINC000163729546 367261334 /nfs/dbraw/zinc/26/13/34/367261334.db2.gz STIALKYUWMZQPG-VIFPVBQESA-N -1 3 284.356 2.178 10 0 CEAEHM O=C([O-])[C@@H]1CO[C@H](c2ccc(Cl)c(Cl)c2)CN1 ZINC000128114407 304136591 /nfs/dbraw/zinc/13/65/91/304136591.db2.gz JBGCICURBFIQMP-UWVGGRQHSA-N -1 3 276.119 2.108 10 0 CEAEHM C[C@H]1OCCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000189797741 369570011 /nfs/dbraw/zinc/57/00/11/369570011.db2.gz YCGZVTCAQXQQAY-PSASIEDQSA-N -1 3 253.273 2.285 10 0 CEAEHM CC(C)c1nc(C2([N-]C(=O)C(F)F)CCCC2)no1 ZINC000194722844 370069221 /nfs/dbraw/zinc/06/92/21/370069221.db2.gz OLMHKOCBAZYRNL-UHFFFAOYSA-N -1 3 273.283 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CEAEHM CN(CCOc1ccc(C(=O)[O-])cc1)[C@H]1CCSC1 ZINC000035732100 172383431 /nfs/dbraw/zinc/38/34/31/172383431.db2.gz NHDYPBFLZXHWGP-LBPRGKRZSA-N -1 3 281.377 2.201 10 0 CEAEHM CCN[C@@](C)(C(=O)[O-])c1ccccc1OC(F)F ZINC000037181338 173013506 /nfs/dbraw/zinc/01/35/06/173013506.db2.gz YTFOXBHRGSYHKL-GFCCVEGCSA-N -1 3 259.252 2.197 10 0 CEAEHM O=C([O-])[C@H](NC1CC1)c1ccccc1OC(F)F ZINC000037183589 173015604 /nfs/dbraw/zinc/01/56/04/173015604.db2.gz ZCKSDAKNTOWNSY-SNVBAGLBSA-N -1 3 257.236 2.166 10 0 CEAEHM Cc1cc(=O)[n-]c(-c2cc3c(c(Cl)c2)OCO3)n1 ZINC000037409045 173185237 /nfs/dbraw/zinc/18/52/37/173185237.db2.gz LVSACASDZZVDON-UHFFFAOYSA-N -1 3 264.668 2.127 10 0 CEAEHM CCC[C@@H](C)NC(=O)[C@@H](C)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028057 174015363 /nfs/dbraw/zinc/01/53/63/174015363.db2.gz KFPNKWVLIBDDRN-JHJVBQTASA-N -1 3 284.400 2.009 10 0 CEAEHM CC[C@H](C)[C@@H](N)C(=O)N(CCC(=O)[O-])c1ccc(C)cc1 ZINC000040483749 174286814 /nfs/dbraw/zinc/28/68/14/174286814.db2.gz RMAGTFJOOKQFEN-SWLSCSKDSA-N -1 3 292.379 2.176 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)N(CCCC(=O)[O-])c1ccccc1 ZINC000040484194 174287558 /nfs/dbraw/zinc/28/75/58/174287558.db2.gz CQOOPQSZPNQBIV-DOMZBBRYSA-N -1 3 292.379 2.258 10 0 CEAEHM Cc1cc(C)c(/C=C/C(=O)[O-])c(OCCN(C)C)c1 ZINC000040541818 174322960 /nfs/dbraw/zinc/32/29/60/174322960.db2.gz KXCFHNSSYITQSE-AATRIKPKSA-N -1 3 263.337 2.342 10 0 CEAEHM COc1ccc([O-])c(C(=O)N(C)c2ccccn2)c1 ZINC000043327942 175009803 /nfs/dbraw/zinc/00/98/03/175009803.db2.gz MACHJIHSWFUNAJ-UHFFFAOYSA-N -1 3 258.277 2.072 10 0 CEAEHM CCCOc1ccc([C@@H](C)N[C@@H](C)c2nn[n-]n2)cc1 ZINC000044888261 175271729 /nfs/dbraw/zinc/27/17/29/175271729.db2.gz XMKXPUCDSABYAM-MNOVXSKESA-N -1 3 275.356 2.400 10 0 CEAEHM C[C@@H](N[C@@H](C)c1cccc(Br)c1)c1nn[n-]n1 ZINC000044922948 175277455 /nfs/dbraw/zinc/27/74/55/175277455.db2.gz QDORACPCXWDJNN-JGVFFNPUSA-N -1 3 296.172 2.374 10 0 CEAEHM c1csc(-c2csc(CNCc3nn[n-]n3)c2)c1 ZINC000044929020 175279366 /nfs/dbraw/zinc/27/93/66/175279366.db2.gz 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525924060 /nfs/dbraw/zinc/92/40/60/525924060.db2.gz LATWEOVZCQXURU-VIFPVBQESA-N -1 3 295.335 2.155 10 0 CEAEHM O=C([O-])[C@@](COC1CCC1)(NC1CC1)c1ccccc1 ZINC000050521515 526295089 /nfs/dbraw/zinc/29/50/89/526295089.db2.gz HLJSPFICRAWSLA-INIZCTEOSA-N -1 3 275.348 2.288 10 0 CEAEHM O=C(c1ccccc1[O-])N(CCO)C1CCCCC1 ZINC000055475833 526808644 /nfs/dbraw/zinc/80/86/44/526808644.db2.gz YBPMYJVWLWQIIU-UHFFFAOYSA-N -1 3 263.337 2.159 10 0 CEAEHM Cc1ccc([C@@H]2CN(C)C[C@@H]2C(=O)[O-])c(Br)c1 ZINC000757194069 574512173 /nfs/dbraw/zinc/51/21/73/574512173.db2.gz YBIFYPXLVFBSNV-QWRGUYRKSA-N -1 3 298.180 2.487 10 0 CEAEHM O=C(Nc1ccccc1C(F)(F)F)c1cnc[n-]c1=O ZINC000082332718 177966748 /nfs/dbraw/zinc/96/67/48/177966748.db2.gz DHWBUNUUUHHPMG-UHFFFAOYSA-N -1 3 283.209 2.041 10 0 CEAEHM Cc1c(-c2nc(-c3ccc([O-])cc3)no2)cnn1C ZINC000034956027 361798520 /nfs/dbraw/zinc/79/85/20/361798520.db2.gz JNHPVWCTFWMGKO-UHFFFAOYSA-N -1 3 256.265 2.151 10 0 CEAEHM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2O)S1 ZINC000033908037 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COc1cc2c(c(Cl)c1OC)C[C@@H](C)N[C@@H]2C(=O)[O-] ZINC000091543457 180185014 /nfs/dbraw/zinc/18/50/14/180185014.db2.gz YPJQJTGJPKGEKE-KBUNVGBDSA-N -1 3 285.727 2.017 10 0 CEAEHM COC[C@@H](C)N(C)Cc1ccc(/C=C\C(=O)[O-])cc1 ZINC000105220737 186047768 /nfs/dbraw/zinc/04/77/68/186047768.db2.gz DKYLPMVSUVPRCH-JLVNDZCYSA-N -1 3 263.337 2.251 10 0 CEAEHM Cc1cccc([O-])c1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000624298240 350255131 /nfs/dbraw/zinc/25/51/31/350255131.db2.gz OGKNXPUGVUKQLX-GXTWGEPZSA-N -1 3 275.348 2.484 10 0 CEAEHM Cc1cccc(C(=O)N(C)C2CCC(=O)CC2)c1[O-] ZINC000091853035 180273784 /nfs/dbraw/zinc/27/37/84/180273784.db2.gz RUVARVHYPFNOFH-UHFFFAOYSA-N -1 3 261.321 2.284 10 0 CEAEHM CCCNCc1nc(C)ccc1O[C@@H](CC)C(=O)[O-] ZINC000091995257 180301960 /nfs/dbraw/zinc/30/19/60/180301960.db2.gz ISLUGFNLHIFGQT-LBPRGKRZSA-N -1 3 266.341 2.132 10 0 CEAEHM CCOC(=O)c1nnc([C@H]2Cc3ccccc3S2)[n-]1 ZINC000092235076 180349136 /nfs/dbraw/zinc/34/91/36/180349136.db2.gz AUZWTPVGLRVPLY-SNVBAGLBSA-N -1 3 275.333 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295.140 2.058 10 0 CEAEHM C[C@H](NC(=O)c1cn[n-]n1)c1ccccc1Br ZINC000108285322 186211349 /nfs/dbraw/zinc/21/13/49/186211349.db2.gz IDWVLIYOIXFSAX-ZETCQYMHSA-N -1 3 295.140 2.058 10 0 CEAEHM O=c1[n-]c(-c2cccc(O)c2)nc2c1CCCCC2 ZINC000109521513 186258818 /nfs/dbraw/zinc/25/88/18/186258818.db2.gz GCUOIYZRVCTZJY-UHFFFAOYSA-N -1 3 256.305 2.411 10 0 CEAEHM O=c1cc(C2CC2)nc(-c2ccc3c(c2)OCCO3)[n-]1 ZINC000109524682 186260273 /nfs/dbraw/zinc/26/02/73/186260273.db2.gz JDQXECRYVGTNLO-UHFFFAOYSA-N -1 3 270.288 2.086 10 0 CEAEHM CCN1CCC[C@@H](Nc2nc(Cl)ccc2C(=O)[O-])C1 ZINC000109599005 186265621 /nfs/dbraw/zinc/26/56/21/186265621.db2.gz QHINXFQUQLHJOH-SECBINFHSA-N -1 3 283.759 2.329 10 0 CEAEHM CN(C)[C@@H]1CCN(c2nc(C(C)(C)C)c(C(=O)[O-])s2)C1 ZINC000110272410 186289271 /nfs/dbraw/zinc/28/92/71/186289271.db2.gz JCJVEJOBVXLBHT-SECBINFHSA-N -1 3 297.424 2.279 10 0 CEAEHM Cc1ccc([C@@H](NC[C@H]2CCCO2)C(=O)[O-])cc1F ZINC000110978412 186338625 /nfs/dbraw/zinc/33/86/25/186338625.db2.gz 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CCc1c(N)nc(C(C)(C)c2ccc(F)cc2)[n-]c1=O ZINC000069394949 523723315 /nfs/dbraw/zinc/72/33/15/523723315.db2.gz GWYYINGFHYFYSA-UHFFFAOYSA-N -1 3 275.327 2.380 10 0 CEAEHM CC[C@H](C)C[N-]S(=O)(=O)c1cccnc1Cl ZINC000054472599 523886904 /nfs/dbraw/zinc/88/69/04/523886904.db2.gz JXCUAIWTPKYUDN-QMMMGPOBSA-N -1 3 262.762 2.059 10 0 CEAEHM Cc1cc(F)ccc1[C@H](NC[C@@H]1CCCO1)C(=O)[O-] ZINC000050579975 525008793 /nfs/dbraw/zinc/00/87/93/525008793.db2.gz LIVNDGOZFMZDOE-AAEUAGOBSA-N -1 3 267.300 2.028 10 0 CEAEHM CS(=O)(=O)[N-]c1cc(NCc2ccc[nH]2)ccc1F ZINC000051788874 525214672 /nfs/dbraw/zinc/21/46/72/525214672.db2.gz ZDLLTIAGARZKGI-UHFFFAOYSA-N -1 3 283.328 2.137 10 0 CEAEHM C[C@H](Oc1ccc2c([O-])coc2c1)C(=O)NC1CCCC1 ZINC000062805341 525940865 /nfs/dbraw/zinc/94/08/65/525940865.db2.gz GSZMFOSVFMVPHG-JTQLQIEISA-N -1 3 289.331 2.088 10 0 CEAEHM Cc1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC000151542441 526125027 /nfs/dbraw/zinc/12/50/27/526125027.db2.gz GNCRAAZVBLUYFS-CQSZACIVSA-N -1 3 298.342 2.389 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Cc1cc(-c2[n-]nnc2C(=O)OC(C)(C)C)ccn1 ZINC000725266376 539213741 /nfs/dbraw/zinc/21/37/41/539213741.db2.gz OZZBIDLXGUBZHD-UHFFFAOYSA-N -1 3 260.297 2.130 10 0 CEAEHM Cc1cc(-c2nn[n-]c2C(=O)OC(C)(C)C)ccn1 ZINC000725266376 539213742 /nfs/dbraw/zinc/21/37/42/539213742.db2.gz OZZBIDLXGUBZHD-UHFFFAOYSA-N -1 3 260.297 2.130 10 0 CEAEHM Cc1cc(-c2n[n-]nc2C(=O)OC(C)(C)C)ccn1 ZINC000725266376 539213743 /nfs/dbraw/zinc/21/37/43/539213743.db2.gz OZZBIDLXGUBZHD-UHFFFAOYSA-N -1 3 260.297 2.130 10 0 CEAEHM COC(=O)Cc1cc([O-])cc(F)c1Br ZINC000306824704 344717749 /nfs/dbraw/zinc/71/77/49/344717749.db2.gz UVJLMASCHVGYIE-UHFFFAOYSA-N -1 3 263.062 2.009 10 0 CEAEHM COc1ccc(C(=O)N[C@H]2COc3ccccc32)c([O-])c1 ZINC000058726522 362636406 /nfs/dbraw/zinc/63/64/06/362636406.db2.gz CTHIIXAWLMDLOK-ZDUSSCGKSA-N -1 3 285.299 2.264 10 0 CEAEHM Cc1cccc([C@@H](N)[C@@H](C(=O)[O-])C(=O)OC(C)(C)C)c1 ZINC000098087766 185685890 /nfs/dbraw/zinc/68/58/90/185685890.db2.gz FUWGOPCPDFONBM-NWDGAFQWSA-N -1 3 279.336 2.037 10 0 CEAEHM COc1cc(/C=C/CO)cc(Br)c1[O-] ZINC000086209856 179249080 /nfs/dbraw/zinc/24/90/80/179249080.db2.gz JKKNRFIVLRVVEZ-NSCUHMNNSA-N -1 3 259.099 2.169 10 0 CEAEHM O=C([O-])COC1CCN([C@H]2CCOc3ccccc32)CC1 ZINC000086773374 179327004 /nfs/dbraw/zinc/32/70/04/179327004.db2.gz DYMMULZIDUTNDG-AWEZNQCLSA-N -1 3 291.347 2.076 10 0 CEAEHM O=C([O-])C[C@H]1CCCCN1[C@@H]1COc2cc(O)ccc21 ZINC000086775465 179327959 /nfs/dbraw/zinc/32/79/59/179327959.db2.gz TXKLCBZEUFANPQ-ZWNOBZJWSA-N -1 3 277.320 2.155 10 0 CEAEHM C[C@@H](N[C@H](C(=O)[O-])C1CC1)c1ccc(F)cc1F ZINC000086758396 179323433 /nfs/dbraw/zinc/32/34/33/179323433.db2.gz WLFKHNSJORGHQE-KRTXAFLBSA-N -1 3 255.264 2.479 10 0 CEAEHM CCn1nc(C)c([C@H](C)N(C)C[C@@H](C)C(=O)[O-])c1C ZINC000086807092 179339478 /nfs/dbraw/zinc/33/94/78/179339478.db2.gz GPGCHTWNZAJTPG-KOLCDFICSA-N -1 3 267.373 2.233 10 0 CEAEHM CCC1(C(=O)[O-])CCN(Cc2ccc(O)c(OC)c2)CC1 ZINC000086788371 179334158 /nfs/dbraw/zinc/33/41/58/179334158.db2.gz ISQZEGAHLHECAA-UHFFFAOYSA-N -1 3 293.363 2.478 10 0 CEAEHM O=C([O-])[C@@H]1c2ccsc2CCN1[C@@H]1CCSC1 ZINC000086808489 179340816 /nfs/dbraw/zinc/34/08/16/179340816.db2.gz FATVNRMBKFGYNJ-KCJUWKMLSA-N -1 3 269.391 2.237 10 0 CEAEHM CC[C@@H]1CCC[C@@H](N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000086921872 179367721 /nfs/dbraw/zinc/36/77/21/179367721.db2.gz XCKNZNPDICXSEM-UPJWGTAASA-N -1 3 255.358 2.131 10 0 CEAEHM CC(C)N1CCOC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000616658225 348550461 /nfs/dbraw/zinc/55/04/61/348550461.db2.gz CDTCKIVKMUDZLW-GFCCVEGCSA-N -1 3 263.337 2.209 10 0 CEAEHM CCc1cc(=O)[n-]c([C@@H]2COc3ccccc3C2)n1 ZINC000088008341 179535388 /nfs/dbraw/zinc/53/53/88/179535388.db2.gz FRIQDZBGCCFNGL-NSHDSACASA-N -1 3 256.305 2.051 10 0 CEAEHM C[C@@H](N)c1nc(C(=O)Nc2ccc([O-])c(F)c2)cs1 ZINC000090957445 180075099 /nfs/dbraw/zinc/07/50/99/180075099.db2.gz MCNJWSFNWMBJJV-ZCFIWIBFSA-N -1 3 281.312 2.260 10 0 CEAEHM CCC1CCC(N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000091296514 180124532 /nfs/dbraw/zinc/12/45/32/180124532.db2.gz ULLHLPCRSQIQRT-BPCQOVAHSA-N -1 3 255.358 2.131 10 0 CEAEHM O=C([O-])c1cnc2ccccc2c1NCC1CC(O)C1 ZINC000091526019 180179134 /nfs/dbraw/zinc/17/91/34/180179134.db2.gz DYHRKAGQKXCLLC-UHFFFAOYSA-N -1 3 272.304 2.116 10 0 CEAEHM CC[C@H]1Cc2cc(F)c(F)c(F)c2[C@@H](C(=O)[O-])N1 ZINC000091547024 180187654 /nfs/dbraw/zinc/18/76/54/180187654.db2.gz KSVWNRGEUOFKBG-KGFZYKRKSA-N -1 3 259.227 2.154 10 0 CEAEHM CCCN(CCN(C)C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000091782101 180254045 /nfs/dbraw/zinc/25/40/45/180254045.db2.gz YSECGSQPAIEJPA-LLVKDONJSA-N -1 3 268.357 2.312 10 0 CEAEHM Cc1noc(C)c1[C@@H](C)N[C@H](C)c1c(C)nc(C)[n-]c1=O ZINC000092327705 180362938 /nfs/dbraw/zinc/36/29/38/180362938.db2.gz NWDLVCOCGCRJCO-HTQZYQBOSA-N -1 3 290.367 2.403 10 0 CEAEHM Cc1cc([N-]S(=O)(=O)c2c(N)ccc(C)c2C)ccn1 ZINC000092348773 180367648 /nfs/dbraw/zinc/36/76/48/180367648.db2.gz ZBSVVPFGOCUYSP-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM Cc1cc([N-]S(=O)(=O)c2ccc([C@@H](C)O)cc2)ccn1 ZINC000092365809 180369199 /nfs/dbraw/zinc/36/91/99/180369199.db2.gz JXZAHWJPOHCENB-LLVKDONJSA-N -1 3 292.360 2.244 10 0 CEAEHM Cc1nc(Cc2nc3c(c(=O)[n-]2)CCCCC3)cs1 ZINC000109521253 186258961 /nfs/dbraw/zinc/25/89/61/186258961.db2.gz RTJWZZXBNSURLA-UHFFFAOYSA-N -1 3 275.377 2.395 10 0 CEAEHM Cc1cc(-n2cnc(C(=O)[O-])c2)c2ccccc2n1 ZINC000109476553 186254911 /nfs/dbraw/zinc/25/49/11/186254911.db2.gz ORFVOVQYYNBRJN-UHFFFAOYSA-N -1 3 253.261 2.427 10 0 CEAEHM CCc1c(N)nc(Cc2ccc(C)c(C)c2)[n-]c1=O ZINC000110472717 186298489 /nfs/dbraw/zinc/29/84/89/186298489.db2.gz ZCQNOECFIJULFI-UHFFFAOYSA-N -1 3 257.337 2.122 10 0 CEAEHM CN1CCN([C@@H](CC(=O)[O-])c2ccccc2)CC1(C)C ZINC000110760916 186323449 /nfs/dbraw/zinc/32/34/49/186323449.db2.gz HVQBSUXWLYJTRT-AWEZNQCLSA-N -1 3 276.380 2.228 10 0 CEAEHM CC[C@@H]1CN([C@@H](CC(=O)[O-])c2ccccc2)CCN1C ZINC000110760806 186323550 /nfs/dbraw/zinc/32/35/50/186323550.db2.gz CTODLTJUJHQNPP-CABCVRRESA-N -1 3 276.380 2.228 10 0 CEAEHM Nc1csc(S(=O)(=O)[N-]C[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111076819 186351690 /nfs/dbraw/zinc/35/16/90/186351690.db2.gz RHOVVJCFMQVNMN-IVZWLZJFSA-N -1 3 286.422 2.045 10 0 CEAEHM COc1ccc(C(C)=O)cc1CN1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000111255339 186379363 /nfs/dbraw/zinc/37/93/63/186379363.db2.gz VLNNQVJJOAFXIF-YGRLFVJLSA-N -1 3 291.347 2.050 10 0 CEAEHM COc1cccc(-c2nc(CSC)no2)c1[O-] ZINC000111688309 186443837 /nfs/dbraw/zinc/44/38/37/186443837.db2.gz BQPULOOJJAMUTB-UHFFFAOYSA-N -1 3 252.295 2.314 10 0 CEAEHM O=C(c1ccccc1[O-])N1CCC(c2cc[nH]n2)CC1 ZINC000131948365 366103345 /nfs/dbraw/zinc/10/33/45/366103345.db2.gz PAJCYOHACNQPJJ-UHFFFAOYSA-N -1 3 271.320 2.135 10 0 CEAEHM COC(=O)Cc1c(C)ccc([O-])c1Br ZINC000575712732 366339824 /nfs/dbraw/zinc/33/98/24/366339824.db2.gz OWICNKKMBXSDGF-UHFFFAOYSA-N -1 3 259.099 2.179 10 0 CEAEHM CC1(C)CON(Cc2cc([O-])ccc2Cl)C1=O ZINC000205146789 542255023 /nfs/dbraw/zinc/25/50/23/542255023.db2.gz WWPMUDRCXMUBOU-UHFFFAOYSA-N -1 3 255.701 2.346 10 0 CEAEHM COCCNc1c2c(nc3ccc(C(=O)[O-])cc31)CCC2 ZINC000004226646 361306691 /nfs/dbraw/zinc/30/66/91/361306691.db2.gz BRSZWJSKCFLBKO-UHFFFAOYSA-N -1 3 286.331 2.480 10 0 CEAEHM CCc1ccc([C@H](C(=O)OC(C)(C)C)[C@@H](N)C(=O)[O-])cc1 ZINC000091365398 364071407 /nfs/dbraw/zinc/07/14/07/364071407.db2.gz AXRUMHYJYZMKBE-QWHCGFSZSA-N -1 3 293.363 2.086 10 0 CEAEHM C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1ccco1 ZINC000188729387 369401522 /nfs/dbraw/zinc/40/15/22/369401522.db2.gz MDBYRWKFNCZJSW-GFCCVEGCSA-N -1 3 295.360 2.163 10 0 CEAEHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1CCCO ZINC000236491947 370589837 /nfs/dbraw/zinc/58/98/37/370589837.db2.gz JXVMLTDFBABNHN-JTQLQIEISA-N -1 3 283.755 2.423 10 0 CEAEHM C[C@H]1CC(CNC(=O)c2ccccc2[O-])C[C@H](C)O1 ZINC000281042407 195079719 /nfs/dbraw/zinc/07/97/19/195079719.db2.gz FNNNHGDPLLGZJH-QWRGUYRKSA-N -1 3 263.337 2.326 10 0 CEAEHM [O-]c1cccc(CN[C@H]2CCC[C@H](O)C2)c1Cl ZINC000328254866 394551405 /nfs/dbraw/zinc/55/14/05/394551405.db2.gz UAEDMEUCNVBYOJ-QWRGUYRKSA-N -1 3 255.745 2.439 10 0 CEAEHM O=C1[N-]C(=O)[C@@]2(N1)c1ccccc1CCC=C1CC=CC=C12 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ZINC000040484222 174287353 /nfs/dbraw/zinc/28/73/53/174287353.db2.gz XQKRHOHVPCYAHA-MRXNPFEDSA-N -1 3 292.379 2.402 10 0 CEAEHM CCc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c([O-])c1 ZINC000188262599 414837833 /nfs/dbraw/zinc/83/78/33/414837833.db2.gz CJWCSIYLZLOVBD-CQSZACIVSA-N -1 3 299.374 2.456 10 0 CEAEHM COc1ccc([O-])c(C(=O)Nc2ccc(F)cc2N)c1 ZINC000043327710 175009249 /nfs/dbraw/zinc/00/92/49/175009249.db2.gz AUAOGYLLXKVELB-UHFFFAOYSA-N -1 3 276.267 2.374 10 0 CEAEHM O=C([O-])[C@H](NC[C@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000043391054 175034145 /nfs/dbraw/zinc/03/41/45/175034145.db2.gz SEHKYULINGUGMS-BXKDBHETSA-N -1 3 287.718 2.373 10 0 CEAEHM CCc1cc(=O)[n-]c(-c2cc(F)c(F)c(F)c2)n1 ZINC000043391788 175034312 /nfs/dbraw/zinc/03/43/12/175034312.db2.gz NIBVVVNWROGTMF-UHFFFAOYSA-N -1 3 254.211 2.417 10 0 CEAEHM COC[C@@H](C)N(C)Cc1sccc1/C=C/C(=O)[O-] ZINC000043684609 175093281 /nfs/dbraw/zinc/09/32/81/175093281.db2.gz ZEEDPQCPLKBGGS-ORAHPGNNSA-N -1 3 269.366 2.313 10 0 CEAEHM CC[C@@H](C)NCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044750481 175245012 /nfs/dbraw/zinc/24/50/12/175245012.db2.gz ZOSDKISUVOJPIA-SNVBAGLBSA-N -1 3 264.325 2.020 10 0 CEAEHM Clc1ccc([C@@H](NCc2nn[n-]n2)C2CC2)cc1 ZINC000044928942 175278674 /nfs/dbraw/zinc/27/86/74/175278674.db2.gz PMYNSHGFGCDJJS-LBPRGKRZSA-N -1 3 263.732 2.094 10 0 CEAEHM Cc1cc(N[C@@H](C)c2nnn[n-]2)c2ccccc2n1 ZINC000044931380 175279857 /nfs/dbraw/zinc/27/98/57/175279857.db2.gz FGRQQALEVNQTMS-VIFPVBQESA-N -1 3 254.297 2.229 10 0 CEAEHM C[C@@H](CNc1cc(C(=O)[O-])ccn1)N1CCCCC1 ZINC000045010983 175289882 /nfs/dbraw/zinc/28/98/82/175289882.db2.gz YBSQNQNYNZZFQI-NSHDSACASA-N -1 3 263.341 2.066 10 0 CEAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)c1nccs1 ZINC000070942252 176015107 /nfs/dbraw/zinc/01/51/07/176015107.db2.gz JTVPEAURBONOLW-QMMMGPOBSA-N -1 3 286.353 2.322 10 0 CEAEHM O=S(=O)([N-]Cc1ccccc1)c1cnccc1Cl ZINC000071203399 176078468 /nfs/dbraw/zinc/07/84/68/176078468.db2.gz AGJJZLZIEBZXFU-UHFFFAOYSA-N -1 3 282.752 2.214 10 0 CEAEHM CC[C@@H](C)N1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000071265116 176098745 /nfs/dbraw/zinc/09/87/45/176098745.db2.gz BBWULUUBYKPILP-GFCCVEGCSA-N -1 3 294.370 2.440 10 0 CEAEHM CN(C)[C@H](CNCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000071380324 176144980 /nfs/dbraw/zinc/14/49/80/176144980.db2.gz VCRBUCJDFFPGOW-CQSZACIVSA-N -1 3 288.347 2.370 10 0 CEAEHM CCC[C@@](C)(N)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392075 176148679 /nfs/dbraw/zinc/14/86/79/176148679.db2.gz XAXDDIHIPFDTGR-CYBMUJFWSA-N -1 3 284.743 2.494 10 0 CEAEHM CC(C)C[C@@H](N)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392021 176148970 /nfs/dbraw/zinc/14/89/70/176148970.db2.gz VLJPKWDADYETQM-SNVBAGLBSA-N -1 3 284.743 2.350 10 0 CEAEHM COc1ccc(C(C)=O)cc1CN1CCC[C@]1(C)C(=O)[O-] ZINC000079490025 177504910 /nfs/dbraw/zinc/50/49/10/177504910.db2.gz IXURWYHEMCAIQZ-MRXNPFEDSA-N -1 3 291.347 2.337 10 0 CEAEHM CCCC[C@H](C)NS(=O)(=O)c1ccc([O-])cc1 ZINC000050890277 521150519 /nfs/dbraw/zinc/15/05/19/521150519.db2.gz UFZGPFBBMLFEJB-JTQLQIEISA-N -1 3 257.355 2.249 10 0 CEAEHM CC(C)C[C@H](CN(C)C)n1ccc(=O)[n-]c1=S ZINC000052313088 519344585 /nfs/dbraw/zinc/34/45/85/519344585.db2.gz YMMREPRCZPZLDS-SNVBAGLBSA-N -1 3 255.387 2.055 10 0 CEAEHM CCN(C(=O)c1ccc(CN(C)C)cc1)C(C)(C)C(=O)[O-] ZINC000061149448 520082965 /nfs/dbraw/zinc/08/29/65/520082965.db2.gz UENQZZAKYJFBJX-UHFFFAOYSA-N -1 3 292.379 2.074 10 0 CEAEHM CCN(C(=O)c1ccc(CN(C)C)cc1)[C@@H](C)CC(=O)[O-] ZINC000061179750 520083032 /nfs/dbraw/zinc/08/30/32/520083032.db2.gz XWIZWIWKWKUXJM-LBPRGKRZSA-N -1 3 292.379 2.074 10 0 CEAEHM CCO[C@@H](CCN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000062756360 520292838 /nfs/dbraw/zinc/29/28/38/520292838.db2.gz LXKZYYYAGGTDET-ZDUSSCGKSA-N -1 3 269.316 2.137 10 0 CEAEHM CCN(CC(=O)Nc1cccc(Cl)c1)[C@H](C)CC(=O)[O-] ZINC000061183227 520362430 /nfs/dbraw/zinc/36/24/30/520362430.db2.gz DVBAXLANWGGRDT-SNVBAGLBSA-N -1 3 298.770 2.464 10 0 CEAEHM CCC[C@](C)(N)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061564396 521277388 /nfs/dbraw/zinc/27/73/88/521277388.db2.gz 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Cc1ccc(C(=O)NC[C@]2(O)CCC[C@@H](C)C2)c([O-])c1 ZINC000087074574 179392327 /nfs/dbraw/zinc/39/23/27/179392327.db2.gz ROOPIFVILLGSSI-WBMJQRKESA-N -1 3 277.364 2.372 10 0 CEAEHM CC[C@@H](C)SCc1nc2c(c(=O)[n-]1)CCCN2 ZINC000087141539 179397316 /nfs/dbraw/zinc/39/73/16/179397316.db2.gz XMUMFYQKDMDERR-MRVPVSSYSA-N -1 3 253.371 2.160 10 0 CEAEHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1c[nH]ccc1=O ZINC000090546851 180000939 /nfs/dbraw/zinc/00/09/39/180000939.db2.gz SZGIVRGMSQJEFN-UHFFFAOYSA-N -1 3 298.751 2.138 10 0 CEAEHM O=C([O-])CC1CN(C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090899876 180058920 /nfs/dbraw/zinc/05/89/20/180058920.db2.gz UJRQHUIVRZOLNF-LBPRGKRZSA-N -1 3 281.739 2.050 10 0 CEAEHM NCc1nc(C(=O)[N-]c2cc(F)cc(F)c2F)cs1 ZINC000090931773 180065622 /nfs/dbraw/zinc/06/56/22/180065622.db2.gz FHJZFBVTBUYDGF-UHFFFAOYSA-N -1 3 287.266 2.271 10 0 CEAEHM CC[C@@]1(C(=O)[O-])CCN(Cc2cncn2C(C)C)C1 ZINC000091274032 180119089 /nfs/dbraw/zinc/11/90/89/180119089.db2.gz XZURZVYXTIZLRS-CQSZACIVSA-N -1 3 265.357 2.151 10 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CCC[C@H](C(=O)Nc1nc(Cl)ccc1[O-])N(C)C ZINC000188373786 369345638 /nfs/dbraw/zinc/34/56/38/369345638.db2.gz LHYWGAMCZFWLND-MRVPVSSYSA-N -1 3 271.748 2.109 10 0 CEAEHM C[C@H](c1cccc(Cl)c1)N1CCN(CCC(=O)[O-])CC1 ZINC000086730064 184611397 /nfs/dbraw/zinc/61/13/97/184611397.db2.gz ZTANDZJBWCLQJK-GFCCVEGCSA-N -1 3 296.798 2.493 10 0 CEAEHM O=C(c1ccc([O-])cc1)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000093448551 184675797 /nfs/dbraw/zinc/67/57/97/184675797.db2.gz ZYWYLEGNIPKKNJ-KGLIPLIRSA-N -1 3 273.332 2.366 10 0 CEAEHM COc1ncccc1CNC(C)(C)C(C)(C)C(=O)[O-] ZINC000095009163 184914543 /nfs/dbraw/zinc/91/45/43/184914543.db2.gz GREZHUCGLWAWHL-UHFFFAOYSA-N -1 3 266.341 2.069 10 0 CEAEHM O=C([O-])c1cc(F)ccc1N1CCN2CCCC[C@@H]2C1 ZINC000094439722 135087908 /nfs/dbraw/zinc/08/79/08/135087908.db2.gz KVSFHYXKAOWSGM-GFCCVEGCSA-N -1 3 278.327 2.198 10 0 CEAEHM CCN(Cc1ccoc1)CC1(O)CCC(C(=O)[O-])CC1 ZINC000652408241 401505490 /nfs/dbraw/zinc/50/54/90/401505490.db2.gz OXKUFTSLSZHDNG-UHFFFAOYSA-N -1 3 281.352 2.107 10 0 CEAEHM CC(C)N(Cc1c([O-])nnn1-c1ccccc1)C1CC1 ZINC000193994031 153245949 /nfs/dbraw/zinc/24/59/49/153245949.db2.gz VMVMIEILAXBURF-UHFFFAOYSA-N -1 3 272.352 2.346 10 0 CEAEHM O=C(c1ccc2ccccc2c1[O-])N1CCN2CCC[C@@H]2C1 ZINC000195318657 153281013 /nfs/dbraw/zinc/28/10/13/153281013.db2.gz XXGQQESPODLCPO-CQSZACIVSA-N -1 3 296.370 2.466 10 0 CEAEHM O=c1[n-]c(=O)n(C(c2ccccc2)c2ccccc2)cc1F ZINC000005574187 170115414 /nfs/dbraw/zinc/11/54/14/170115414.db2.gz XTAOOKSIHMFYDD-UHFFFAOYSA-N -1 3 296.301 2.313 10 0 CEAEHM Cc1ccc([N-]S(=O)(=O)c2cccc(CN)c2)cc1 ZINC000022212114 171374014 /nfs/dbraw/zinc/37/40/14/171374014.db2.gz RJHMRWDCIAYVLA-UHFFFAOYSA-N -1 3 276.361 2.255 10 0 CEAEHM Cc1c(Cl)cccc1NC(=O)CNCCCC(=O)[O-] ZINC000035422534 172191238 /nfs/dbraw/zinc/19/12/38/172191238.db2.gz HXRQLNHGRCJSJI-UHFFFAOYSA-N -1 3 284.743 2.041 10 0 CEAEHM O=C([O-])CN[C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037251099 173062805 /nfs/dbraw/zinc/06/28/05/173062805.db2.gz CGRDSJJIMGJULM-VIFPVBQESA-N -1 3 276.119 2.491 10 0 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CEAEHM Cc1ncsc1-c1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266620 539213781 /nfs/dbraw/zinc/21/37/81/539213781.db2.gz VOZFWMBHPMYWNK-UHFFFAOYSA-N -1 3 266.326 2.192 10 0 CEAEHM Cc1ncsc1-c1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266620 539213782 /nfs/dbraw/zinc/21/37/82/539213782.db2.gz VOZFWMBHPMYWNK-UHFFFAOYSA-N -1 3 266.326 2.192 10 0 CEAEHM Cc1ncsc1-c1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266620 539213783 /nfs/dbraw/zinc/21/37/83/539213783.db2.gz VOZFWMBHPMYWNK-UHFFFAOYSA-N -1 3 266.326 2.192 10 0 CEAEHM Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000179730337 282214583 /nfs/dbraw/zinc/21/45/83/282214583.db2.gz AYWXRJPMWVXYJC-ZDUSSCGKSA-N -1 3 285.347 2.202 10 0 CEAEHM [O-]c1cnc2[nH]cc(I)c2c1F ZINC000095919788 344237333 /nfs/dbraw/zinc/23/73/33/344237333.db2.gz WHTJWECKIZRYIE-UHFFFAOYSA-N -1 3 278.024 2.012 10 0 CEAEHM CS(=O)(=O)c1c2cc(Cl)ccc2oc1C(=O)[O-] ZINC000584881742 344996068 /nfs/dbraw/zinc/99/60/68/344996068.db2.gz OUDRBQGBKJUWDC-UHFFFAOYSA-N -1 3 274.681 2.188 10 0 CEAEHM COC[C@@H](C)NCc1ccc([O-])c(Br)c1 ZINC000057942683 362602478 /nfs/dbraw/zinc/60/24/78/362602478.db2.gz CBWJFYRMDKAIJD-MRVPVSSYSA-N -1 3 274.158 2.279 10 0 CEAEHM Cc1nc(C23CC4CC(CC(C4)C2)C3)[n-]c(=O)c1CCO ZINC000085403998 179053891 /nfs/dbraw/zinc/05/38/91/179053891.db2.gz QNYRYLUDKREOJZ-UHFFFAOYSA-N -1 3 288.391 2.081 10 0 CEAEHM CC(=O)C(Sc1ccc(-c2ccco2)nn1)=C(C)[O-] ZINC000100046036 185703069 /nfs/dbraw/zinc/70/30/69/185703069.db2.gz OXRYMQPMOHGDMN-UHFFFAOYSA-N -1 3 276.317 2.375 10 0 CEAEHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085840954 179184884 /nfs/dbraw/zinc/18/48/84/179184884.db2.gz LNQFEGBIIGWGPU-CABZTGNLSA-N -1 3 298.770 2.052 10 0 CEAEHM N[C@H](CCC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000085818488 179181140 /nfs/dbraw/zinc/18/11/40/179181140.db2.gz FAPPKPDCNNEJOU-SECBINFHSA-N -1 3 291.134 2.124 10 0 CEAEHM CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(N)cs2)[C@@H]1C ZINC000086083018 179228318 /nfs/dbraw/zinc/22/83/18/179228318.db2.gz CPWVNTFEFAUXNS-KKZNHRDASA-N -1 3 288.438 2.433 10 0 CEAEHM C[C@@H](c1ccncc1)N1CCC(OCCC(=O)[O-])CC1 ZINC000086773650 179326949 /nfs/dbraw/zinc/32/69/49/179326949.db2.gz HGLWGHMMVCNURY-LBPRGKRZSA-N -1 3 278.352 2.098 10 0 CEAEHM C[C@H](N[C@H](C(=O)[O-])C1CC1)c1cc(F)ccc1F ZINC000086757679 179323452 /nfs/dbraw/zinc/32/34/52/179323452.db2.gz CYJVYYKKZBBFFV-MADCSZMMSA-N -1 3 255.264 2.479 10 0 CEAEHM COc1ccc(CN2CCC[C@@](C)(C(=O)[O-])C2)cc1O ZINC000086782598 179331480 /nfs/dbraw/zinc/33/14/80/179331480.db2.gz UWSLFAHLMFFSRN-OAHLLOKOSA-N -1 3 279.336 2.088 10 0 CEAEHM COc1ccc([C@H](C)N2CC(CC(=O)[O-])C2)cc1OC ZINC000086811471 179341753 /nfs/dbraw/zinc/34/17/53/179341753.db2.gz JJVCJWRZPLLONS-JTQLQIEISA-N -1 3 279.336 2.171 10 0 CEAEHM CC1(C)CCC[C@@H](N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000086921869 179367641 /nfs/dbraw/zinc/36/76/41/179367641.db2.gz DPMVRRWFDVAAEC-NEPJUHHUSA-N -1 3 255.358 2.131 10 0 CEAEHM CC[C@@H]1CCC[C@H](N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000086921870 179367805 /nfs/dbraw/zinc/36/78/05/179367805.db2.gz XCKNZNPDICXSEM-AGIUHOORSA-N -1 3 255.358 2.131 10 0 CEAEHM C[C@H]1CCC[C@](O)(CNC(=O)c2ccc([O-])cc2)C1 ZINC000087074248 179391697 /nfs/dbraw/zinc/39/16/97/179391697.db2.gz FTPPCVZDUDPGSN-XHDPSFHLSA-N -1 3 263.337 2.063 10 0 CEAEHM COc1cccc(C(=O)NC[C@@]2(O)CCC[C@@H](C)C2)c1[O-] ZINC000087074536 179391719 /nfs/dbraw/zinc/39/17/19/179391719.db2.gz FHEVWGPGJZCYDO-BDJLRTHQSA-N -1 3 293.363 2.072 10 0 CEAEHM C[C@H]1CCC[C@@](O)(CNC(=O)c2ccccc2[O-])C1 ZINC000087071745 179391912 /nfs/dbraw/zinc/39/19/12/179391912.db2.gz HJIZFFLGLOXQAP-NHYWBVRUSA-N -1 3 263.337 2.063 10 0 CEAEHM CC[C@](C)(CN(C)Cc1scnc1C)C(=O)[O-] ZINC000104436014 186001130 /nfs/dbraw/zinc/00/11/30/186001130.db2.gz SMGWXENYQUTUOH-GFCCVEGCSA-N -1 3 256.371 2.384 10 0 CEAEHM Cc1cc(N[C@@H]2COC[C@]2(C)C(=O)[O-])c2ccccc2n1 ZINC000090570974 180007401 /nfs/dbraw/zinc/00/74/01/180007401.db2.gz LBHOUKBSMVNUAX-ZBFHGGJFSA-N -1 3 286.331 2.445 10 0 CEAEHM O=C(NC[C@H]1Cc2ccccc21)c1ccc([O-])cc1 ZINC000090993583 180082340 /nfs/dbraw/zinc/08/23/40/180082340.db2.gz BSBJLXWQEPYNNH-CYBMUJFWSA-N -1 3 253.301 2.462 10 0 CEAEHM O=c1[n-]c(=O)n(C[C@H]2CCCc3ccccc32)cc1Cl ZINC000091329622 180135824 /nfs/dbraw/zinc/13/58/24/180135824.db2.gz NJFGUMDSSHYDEE-LLVKDONJSA-N -1 3 290.750 2.310 10 0 CEAEHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)[C@@H]1CCSC1 ZINC000091780421 180252864 /nfs/dbraw/zinc/25/28/64/180252864.db2.gz CLYNPWFXBKJDMG-RKDXNWHRSA-N -1 3 255.339 2.476 10 0 CEAEHM CCc1ccc([O-])c(C(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000091731697 180243025 /nfs/dbraw/zinc/24/30/25/180243025.db2.gz LEMPHHOBIZTDSC-PHIMTYICSA-N -1 3 263.337 2.204 10 0 CEAEHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2N)ccn1 ZINC000092348779 180367109 /nfs/dbraw/zinc/36/71/09/180367109.db2.gz WOGWREDGGZTYGD-UHFFFAOYSA-N -1 3 297.767 2.426 10 0 CEAEHM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2N)ccn1 ZINC000092348713 180367337 /nfs/dbraw/zinc/36/73/37/180367337.db2.gz IOAMWLKSZMLZMG-UHFFFAOYSA-N -1 3 277.349 2.081 10 0 CEAEHM O=C([O-])c1c(Cl)cccc1NC(=O)[C@H]1CCCCN1 ZINC000111278359 186386482 /nfs/dbraw/zinc/38/64/82/186386482.db2.gz VCOQDNDLZRCLIN-SNVBAGLBSA-N -1 3 282.727 2.119 10 0 CEAEHM CC(C)C[C@@H](N)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278457 186387128 /nfs/dbraw/zinc/38/71/28/186387128.db2.gz GHILPHFXDNHDQU-SECBINFHSA-N -1 3 284.743 2.350 10 0 CEAEHM Cc1cocc1-c1o[n-]c(=N)c1I ZINC000575537673 366294125 /nfs/dbraw/zinc/29/41/25/366294125.db2.gz IBTHNIYJTCLRLR-UHFFFAOYSA-N -1 3 290.060 2.260 10 0 CEAEHM Nc1ccc(I)c(Cl)c1[O-] ZINC000575722764 366346686 /nfs/dbraw/zinc/34/66/86/366346686.db2.gz SUPSJBUUGJLOIF-UHFFFAOYSA-N -1 3 269.469 2.232 10 0 CEAEHM CCOC(=O)Cc1cc(N)cc(C(F)(F)F)c1[O-] ZINC000575726051 366348865 /nfs/dbraw/zinc/34/88/65/366348865.db2.gz XULPTEGLKJSPRF-UHFFFAOYSA-N -1 3 263.215 2.099 10 0 CEAEHM CC(C)n1ccnc1C[S@](=O)c1cccc([O-])c1 ZINC000184038450 189375070 /nfs/dbraw/zinc/37/50/70/189375070.db2.gz ILOWUNPBXFNRME-SFHVURJKSA-N -1 3 264.350 2.477 10 0 CEAEHM Cn1c(=O)c(-c2ccc([O-])cc2)cc2c(O)cc(O)cc21 ZINC000026574197 361643295 /nfs/dbraw/zinc/64/32/95/361643295.db2.gz PUEMVFSBPADQCN-UHFFFAOYSA-N -1 3 283.283 2.322 10 0 CEAEHM CC(C)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000172969006 367849439 /nfs/dbraw/zinc/84/94/39/367849439.db2.gz XMKHZLRFAFIRPL-ZETCQYMHSA-N -1 3 281.299 2.427 10 0 CEAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccco2)o1 ZINC000188569645 369376263 /nfs/dbraw/zinc/37/62/63/369376263.db2.gz CQKRKJQVTRJBJU-VIFPVBQESA-N -1 3 255.295 2.221 10 0 CEAEHM CC(C)Oc1ccc2c(c1)NC(=O)[C@]2([O-])C(F)(F)F ZINC000207314086 370158347 /nfs/dbraw/zinc/15/83/47/370158347.db2.gz FAYGBDUTFDAZPF-NSHDSACASA-N -1 3 275.226 2.176 10 0 CEAEHM O=c1[n-]nc(C(F)(F)F)c2cn(-c3ccc(F)cc3)nc21 ZINC000256048200 371598822 /nfs/dbraw/zinc/59/88/22/371598822.db2.gz RIHLBAOTWVKQHG-UHFFFAOYSA-N -1 3 298.199 2.267 10 0 CEAEHM CC[C@H]1CCCN(Cc2oncc2C(=O)[O-])CC1 ZINC000385050852 375225524 /nfs/dbraw/zinc/22/55/24/375225524.db2.gz CLLYFURAIJSICW-JTQLQIEISA-N -1 3 252.314 2.385 10 0 CEAEHM NNc1ccc(-c2ccc3ccccc3c2[O-])nn1 ZINC000043464954 394504487 /nfs/dbraw/zinc/50/44/87/394504487.db2.gz PFGACLDPHOYPPF-UHFFFAOYSA-N -1 3 252.277 2.288 10 0 CEAEHM C[C@H](NC(=O)c1c[n-]nn1)c1ccc(F)c(Cl)c1 ZINC000048927351 394539181 /nfs/dbraw/zinc/53/91/81/394539181.db2.gz BSZDCPVCYYUPTC-LURJTMIESA-N -1 3 268.679 2.088 10 0 CEAEHM C[C@H](NC(=O)c1cnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000048927351 394539184 /nfs/dbraw/zinc/53/91/84/394539184.db2.gz BSZDCPVCYYUPTC-LURJTMIESA-N -1 3 268.679 2.088 10 0 CEAEHM C[C@H](NC(=O)c1cn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000048927351 394539187 /nfs/dbraw/zinc/53/91/87/394539187.db2.gz BSZDCPVCYYUPTC-LURJTMIESA-N -1 3 268.679 2.088 10 0 CEAEHM COc1cc(-c2noc(/C=C/c3cncc([O-])c3)n2)ccn1 ZINC000180454298 165310683 /nfs/dbraw/zinc/31/06/83/165310683.db2.gz GEQIOMIRCYEYNU-NSCUHMNNSA-N -1 3 296.286 2.411 10 0 CEAEHM Cc1ccc(CN)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000020189496 171055650 /nfs/dbraw/zinc/05/56/50/171055650.db2.gz DVOAOFANUYQDRT-UHFFFAOYSA-N -1 3 276.361 2.255 10 0 CEAEHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(N)cc1 ZINC000037177473 173010639 /nfs/dbraw/zinc/01/06/39/173010639.db2.gz HNWLLISHENAPGI-JTQLQIEISA-N -1 3 256.305 2.465 10 0 CEAEHM COc1ccc([C@@](C)(C(=O)[O-])N2CCCC2)cc1F ZINC000037359999 173150129 /nfs/dbraw/zinc/15/01/29/173150129.db2.gz QYGLAFUWUPURFM-AWEZNQCLSA-N -1 3 267.300 2.230 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000040479320 174283887 /nfs/dbraw/zinc/28/38/87/174283887.db2.gz ZATOBHQQPHUBGV-HQJQHLMTSA-N -1 3 284.743 2.350 10 0 CEAEHM Cc1ccc(NC(=O)[C@@H](N)CC(C)C)c(C(=O)[O-])c1 ZINC000040480101 174284241 /nfs/dbraw/zinc/28/42/41/174284241.db2.gz QMGYQNNOAUKAPI-NSHDSACASA-N -1 3 264.325 2.005 10 0 CEAEHM CCC[C@](C)(N)C(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000040483915 174287461 /nfs/dbraw/zinc/28/74/61/174287461.db2.gz SVKHJVHMKUJWLF-HNNXBMFYSA-N -1 3 278.352 2.012 10 0 CEAEHM COc1ccc([O-])c(C(=O)N2CCc3cc(N)ccc32)c1 ZINC000043327719 175009319 /nfs/dbraw/zinc/00/93/19/175009319.db2.gz COZYINLLHPOMAJ-UHFFFAOYSA-N -1 3 284.315 2.186 10 0 CEAEHM Cc1cc(=O)[n-]c(S[C@@H](c2cccnc2)[C@@H](C)N)n1 ZINC000043352021 175019875 /nfs/dbraw/zinc/01/98/75/175019875.db2.gz UWJCTNZSQGUTQR-BXKDBHETSA-N -1 3 276.365 2.066 10 0 CEAEHM O=C([O-])/C=C/c1csc(CN2CCC(CO)CC2)c1 ZINC000043699307 175097595 /nfs/dbraw/zinc/09/75/95/175097595.db2.gz NNDAKYKCROMUBF-OWOJBTEDSA-N -1 3 281.377 2.050 10 0 CEAEHM C[C@@H](CNC(=O)Nc1cc(Cl)ccc1C(=O)[O-])N(C)C ZINC000045111529 175310390 /nfs/dbraw/zinc/31/03/90/175310390.db2.gz XLKAWLKUNWQIBW-QMMMGPOBSA-N -1 3 299.758 2.110 10 0 CEAEHM CCC[C@H](NCc1ccn(-c2ccccc2)n1)C(=O)[O-] ZINC000061641260 175652252 /nfs/dbraw/zinc/65/22/52/175652252.db2.gz HLDZECDOBFVDFY-AWEZNQCLSA-N -1 3 273.336 2.215 10 0 CEAEHM Cc1ccc(C[C@H](C)n2c(=O)[n-][nH]c2=S)s1 ZINC000070717022 176003335 /nfs/dbraw/zinc/00/33/35/176003335.db2.gz OGZZPNPADKFVRH-LURJTMIESA-N -1 3 255.368 2.408 10 0 CEAEHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2nccs2)c1 ZINC000070941972 176015446 /nfs/dbraw/zinc/01/54/46/176015446.db2.gz GZZCCMMFSQDWMP-QMMMGPOBSA-N -1 3 278.333 2.348 10 0 CEAEHM CC[C@H](C)NCC(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171525 176051797 /nfs/dbraw/zinc/05/17/97/176051797.db2.gz WOJNZXAQCWNPMD-JTQLQIEISA-N -1 3 264.325 2.020 10 0 CEAEHM CCCC[C@@H](N)C(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171472 176051870 /nfs/dbraw/zinc/05/18/70/176051870.db2.gz BXVUIBPWUFXBCN-SNVBAGLBSA-N -1 3 264.325 2.149 10 0 CEAEHM COCCN(Cc1ccc(F)cc1C(=O)[O-])[C@H](C)COC ZINC000071265043 176098920 /nfs/dbraw/zinc/09/89/20/176098920.db2.gz CEOATZDIUKGJCC-LLVKDONJSA-N -1 3 299.342 2.007 10 0 CEAEHM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([O-])cc2)[C@@H]1C ZINC000037296542 287490739 /nfs/dbraw/zinc/49/07/39/287490739.db2.gz SOZNKIDELZCGIS-GYSYKLTISA-N -1 3 283.393 2.495 10 0 CEAEHM CCO[C@@H](CN(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000062753975 520308096 /nfs/dbraw/zinc/30/80/96/520308096.db2.gz ICQHKTGHJHMDFZ-LBPRGKRZSA-N -1 3 271.744 2.262 10 0 CEAEHM CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(N)c(F)cc1F ZINC000050886761 521009860 /nfs/dbraw/zinc/00/98/60/521009860.db2.gz IMQMCFGYXVVZLY-MRVPVSSYSA-N -1 3 292.351 2.404 10 0 CEAEHM CC(C)CN1CCN(C[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000062756735 519726620 /nfs/dbraw/zinc/72/66/20/519726620.db2.gz HJHOWBLORWFPOR-INIZCTEOSA-N -1 3 290.407 2.128 10 0 CEAEHM CC(C)[C@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000048910587 519812926 /nfs/dbraw/zinc/81/29/26/519812926.db2.gz KBKVWRGVOYDADQ-JTQLQIEISA-N -1 3 258.321 2.302 10 0 CEAEHM CCCCCc1ccc(NC(=O)c2nnc(N)[n-]2)cc1 ZINC000055169134 520326366 /nfs/dbraw/zinc/32/63/66/520326366.db2.gz BIOPTVRJRCMGHX-UHFFFAOYSA-N -1 3 273.340 2.372 10 0 CEAEHM CCCCCc1ccc(NC(=O)c2nc(N)n[n-]2)cc1 ZINC000055169134 520326374 /nfs/dbraw/zinc/32/63/74/520326374.db2.gz BIOPTVRJRCMGHX-UHFFFAOYSA-N -1 3 273.340 2.372 10 0 CEAEHM CCCCCc1ccc(NC(=O)c2n[n-]c(N)n2)cc1 ZINC000055169134 520326381 /nfs/dbraw/zinc/32/63/81/520326381.db2.gz BIOPTVRJRCMGHX-UHFFFAOYSA-N -1 3 273.340 2.372 10 0 CEAEHM CCC[C@@H](C)NC(=O)[C@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925518 520662109 /nfs/dbraw/zinc/66/21/09/520662109.db2.gz BISBCDWPGNAAKY-HZSPNIEDSA-N -1 3 298.427 2.399 10 0 CEAEHM CCC(CC)(CN1CCN(c2nccs2)CC1)C(=O)[O-] ZINC000051286956 521430321 /nfs/dbraw/zinc/43/03/21/521430321.db2.gz QQEJWBSIQKQTIC-UHFFFAOYSA-N -1 3 297.424 2.156 10 0 CEAEHM CCCN(CCN(C)C)c1ccc(C(=O)[O-])cc1C ZINC000050546213 521658763 /nfs/dbraw/zinc/65/87/63/521658763.db2.gz CUYRNZGUQKROEI-UHFFFAOYSA-N -1 3 264.369 2.471 10 0 CEAEHM CN(C)CCNc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000054527162 521792083 /nfs/dbraw/zinc/79/20/83/521792083.db2.gz TXTFRMCVEBHSBS-UHFFFAOYSA-N -1 3 276.258 2.377 10 0 CEAEHM CC[C@@H](C)N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000055067699 522129037 /nfs/dbraw/zinc/12/90/37/522129037.db2.gz BGOCUKJVLQZAFZ-UKRRQHHQSA-N -1 3 276.380 2.228 10 0 CEAEHM COCCN(C)Cc1ccc(F)cc1/C=C/C(=O)[O-] ZINC000049625686 523624837 /nfs/dbraw/zinc/62/48/37/523624837.db2.gz HXCYELMGYIZEHJ-GQCTYLIASA-N -1 3 267.300 2.002 10 0 CEAEHM Cc1cccc(C(=O)Nc2ccccc2CO)c1[O-] ZINC000049361814 524219822 /nfs/dbraw/zinc/21/98/22/524219822.db2.gz YCGZNUJRMOBBNU-UHFFFAOYSA-N -1 3 257.289 2.445 10 0 CEAEHM COc1ccc(OC)c([C@H](CC(=O)[O-])N2CCCC2)c1 ZINC000057576405 524907257 /nfs/dbraw/zinc/90/72/57/524907257.db2.gz UMKDPHSWHQJYKL-ZDUSSCGKSA-N -1 3 279.336 2.315 10 0 CEAEHM C[C@@H](Cc1ccco1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000062769633 524929725 /nfs/dbraw/zinc/92/97/25/524929725.db2.gz MGAPYMRQUMKJDD-VIFPVBQESA-N -1 3 270.288 2.206 10 0 CEAEHM C[C@@H]1CN([C@@H](CC(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000062750225 525055253 /nfs/dbraw/zinc/05/52/53/525055253.db2.gz YWILJTAECBGUNO-SCRDCRAPSA-N -1 3 263.337 2.312 10 0 CEAEHM C[C@H](N[C@H](c1ccccc1)c1ccncc1)C(=O)[O-] ZINC000049356247 525597503 /nfs/dbraw/zinc/59/75/03/525597503.db2.gz FCMVIAGDTJOESG-SMDDNHRTSA-N -1 3 256.305 2.234 10 0 CEAEHM O=C([O-])[C@@H]1CCC[C@@H]1N1CCN(c2ccccc2F)CC1 ZINC000062756394 526274879 /nfs/dbraw/zinc/27/48/79/526274879.db2.gz RRBSAYJXRMUNPQ-OCCSQVGLSA-N -1 3 292.354 2.201 10 0 CEAEHM Cc1nc(N(CCN(C)C)CC(C)C)sc1C(=O)[O-] ZINC000054968394 526953612 /nfs/dbraw/zinc/95/36/12/526953612.db2.gz LBHZVUQGHUSFAM-UHFFFAOYSA-N -1 3 285.413 2.174 10 0 CEAEHM O=c1[n-]nc(SCc2cccnc2Cl)n1C1CC1 ZINC000061593886 527448244 /nfs/dbraw/zinc/44/82/44/527448244.db2.gz INNWSEQKAFTFEH-UHFFFAOYSA-N -1 3 282.756 2.247 10 0 CEAEHM O=c1ccn(CCc2ccc(F)cc2)c(=S)[n-]1 ZINC000052312434 527490803 /nfs/dbraw/zinc/49/08/03/527490803.db2.gz WWJJVLSPNNZXCY-UHFFFAOYSA-N -1 3 250.298 2.288 10 0 CEAEHM CSc1ccccc1OCc1n[n-]sc1=NN ZINC000082504440 178068599 /nfs/dbraw/zinc/06/85/99/178068599.db2.gz NJIVJUUHUUSPIQ-UHFFFAOYSA-N -1 3 268.367 2.125 10 0 CEAEHM CC(=O)c1ncc(CNC(=O)OC(C)(C)C)cc1[O-] ZINC000095773871 185027770 /nfs/dbraw/zinc/02/77/70/185027770.db2.gz BBWUAMUASDLEBI-UHFFFAOYSA-N -1 3 266.297 2.015 10 0 CEAEHM CC(=O)c1ncc(CCCNC(=O)OC(C)(C)C)cc1[O-] ZINC000095773875 185028214 /nfs/dbraw/zinc/02/82/14/185028214.db2.gz NBGLWPAPOYLTHC-UHFFFAOYSA-N -1 3 294.351 2.447 10 0 CEAEHM Cc1ccc([C@H](C)NC(=O)c2c([O-])cccc2O)o1 ZINC000125611022 365681199 /nfs/dbraw/zinc/68/11/99/365681199.db2.gz GNEKJNIOUCAEKE-VIFPVBQESA-N -1 3 261.277 2.490 10 0 CEAEHM CC(C)(C)NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000725264759 539213084 /nfs/dbraw/zinc/21/30/84/539213084.db2.gz BHFFHIJSUAEXFY-UHFFFAOYSA-N -1 3 280.368 2.469 10 0 CEAEHM CCc1ncc(-c2[n-]nnc2C(=O)OC(C)(C)C)s1 ZINC000725266425 539213588 /nfs/dbraw/zinc/21/35/88/539213588.db2.gz WRBNVUBOLSWHSD-UHFFFAOYSA-N -1 3 280.353 2.446 10 0 CEAEHM CCc1ncc(-c2nn[n-]c2C(=O)OC(C)(C)C)s1 ZINC000725266425 539213590 /nfs/dbraw/zinc/21/35/90/539213590.db2.gz WRBNVUBOLSWHSD-UHFFFAOYSA-N -1 3 280.353 2.446 10 0 CEAEHM CCc1ncc(-c2n[n-]nc2C(=O)OC(C)(C)C)s1 ZINC000725266425 539213592 /nfs/dbraw/zinc/21/35/92/539213592.db2.gz WRBNVUBOLSWHSD-UHFFFAOYSA-N -1 3 280.353 2.446 10 0 CEAEHM C[C@@H](c1[n-]nnc1C(=O)OC(C)(C)C)[C@@H]1CCCO1 ZINC000725266317 539213790 /nfs/dbraw/zinc/21/37/90/539213790.db2.gz HBTMPMFSPZNSJK-BDAKNGLRSA-N -1 3 267.329 2.043 10 0 CEAEHM C[C@@H](c1nn[n-]c1C(=O)OC(C)(C)C)[C@@H]1CCCO1 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CCN(CC(=O)[O-])[C@H](C)c1cc(OC)ccc1OC ZINC000083663094 178672276 /nfs/dbraw/zinc/67/22/76/178672276.db2.gz RYCJPTIAXBUAIY-SNVBAGLBSA-N -1 3 267.325 2.171 10 0 CEAEHM CCCNCc1ccccc1O[C@H](CC)C(=O)[O-] ZINC000084098584 178788534 /nfs/dbraw/zinc/78/85/34/178788534.db2.gz FPHUOVRUEJVHIO-GFCCVEGCSA-N -1 3 251.326 2.428 10 0 CEAEHM CCOC(=O)CON=C([O-])Nc1cccc2ccccc21 ZINC000584591240 344960639 /nfs/dbraw/zinc/96/06/39/344960639.db2.gz XSLVCOMHODDHQP-UHFFFAOYSA-N -1 3 288.303 2.456 10 0 CEAEHM CCOC(=O)CO[N-]C(=O)Nc1cccc2ccccc21 ZINC000584591240 344960643 /nfs/dbraw/zinc/96/06/43/344960643.db2.gz XSLVCOMHODDHQP-UHFFFAOYSA-N -1 3 288.303 2.456 10 0 CEAEHM CCc1nc(C(=O)N2CCSc3ccccc32)n[n-]1 ZINC000095061528 136515663 /nfs/dbraw/zinc/51/56/63/136515663.db2.gz APSOVYIMYSOAJW-UHFFFAOYSA-N -1 3 274.349 2.120 10 0 CEAEHM C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085839016 179184854 /nfs/dbraw/zinc/18/48/54/179184854.db2.gz UWCTWPYUELBJOU-JOYOIKCWSA-N -1 3 298.770 2.052 10 0 CEAEHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085838896 179184966 /nfs/dbraw/zinc/18/49/66/179184966.db2.gz QKMSTQKYYHZTMC-CABZTGNLSA-N -1 3 298.770 2.052 10 0 CEAEHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(N)ccc2F)[C@@H]1C ZINC000086069740 179224239 /nfs/dbraw/zinc/22/42/39/179224239.db2.gz QZOCPDMNFOGRRK-KBVBSXBZSA-N -1 3 286.372 2.121 10 0 CEAEHM CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1ccc(OC)cc1[O-] ZINC000086446954 179295823 /nfs/dbraw/zinc/29/58/23/179295823.db2.gz LUOINPCLEVDBMH-NWDGAFQWSA-N -1 3 292.379 2.003 10 0 CEAEHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(CN)s1 ZINC000086647092 179316564 /nfs/dbraw/zinc/31/65/64/179316564.db2.gz ASYXFXZHCZTREO-UHFFFAOYSA-N -1 3 290.454 2.454 10 0 CEAEHM C[C@H](c1c(F)cccc1F)N1CCCN(CC(=O)[O-])CC1 ZINC000086760929 179324287 /nfs/dbraw/zinc/32/42/87/179324287.db2.gz LOTJNXGVQLXDIZ-LLVKDONJSA-N -1 3 298.333 2.118 10 0 CEAEHM CC[C@@](C)(NCc1ccc(Br)o1)C(=O)[O-] ZINC000086799416 179335668 /nfs/dbraw/zinc/33/56/68/179335668.db2.gz GBQKRTRKNHYJSG-SNVBAGLBSA-N 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3 258.277 2.357 10 0 CEAEHM Cc1cc(F)cc(N[C@@]2(C(=O)[O-])CCN(C3CC3)C2)c1 ZINC000091515353 180176834 /nfs/dbraw/zinc/17/68/34/180176834.db2.gz BIEZZSOUQBEXFH-HNNXBMFYSA-N -1 3 278.327 2.238 10 0 CEAEHM C[C@@H]1Cc2ccc(OC(F)(F)F)cc2[C@@H](C(=O)[O-])N1 ZINC000091545287 180186614 /nfs/dbraw/zinc/18/66/14/180186614.db2.gz METXIYBYAIHJTE-LDWIPMOCSA-N -1 3 275.226 2.245 10 0 CEAEHM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)C1CCOCC1 ZINC000091780664 180252822 /nfs/dbraw/zinc/25/28/22/180252822.db2.gz WMMDSPSQIGGNHK-VIFPVBQESA-N -1 3 253.298 2.150 10 0 CEAEHM CC(C)(C)NCC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000092461012 180389524 /nfs/dbraw/zinc/38/95/24/180389524.db2.gz LIDKBASTLZHECZ-UHFFFAOYSA-N -1 3 298.770 2.146 10 0 CEAEHM CC(C)(C)NCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000092460857 180389841 /nfs/dbraw/zinc/38/98/41/180389841.db2.gz OBQJWQKANNIQJH-UHFFFAOYSA-N -1 3 284.743 2.365 10 0 CEAEHM O=c1[n-]c(Cc2ccncc2)nc2c1CCCCC2 ZINC000109521237 186258732 /nfs/dbraw/zinc/25/87/32/186258732.db2.gz XOQZHMHOVXRDKT-UHFFFAOYSA-N -1 3 255.321 2.025 10 0 CEAEHM Cc1ccc(NC(=O)CNC2CCCC2)cc1C(=O)[O-] ZINC000110988338 186340391 /nfs/dbraw/zinc/34/03/91/186340391.db2.gz BJPQFCJWMOXYHB-UHFFFAOYSA-N -1 3 276.336 2.164 10 0 CEAEHM COc1cccc(C(=O)N[C@@H]2COc3ccccc32)c1[O-] ZINC000070199042 363054598 /nfs/dbraw/zinc/05/45/98/363054598.db2.gz MIRNHAULNRNMPV-GFCCVEGCSA-N -1 3 285.299 2.264 10 0 CEAEHM O=C([O-])C1CCN(C[C@@H](O)c2ccccc2Cl)CC1 ZINC000070459656 363087473 /nfs/dbraw/zinc/08/74/73/363087473.db2.gz NWEAZOZRONLPMI-CYBMUJFWSA-N -1 3 283.755 2.170 10 0 CEAEHM Cc1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)c([O-])c1 ZINC000131948606 366103473 /nfs/dbraw/zinc/10/34/73/366103473.db2.gz WYFWHEZCSGLPOS-UHFFFAOYSA-N -1 3 285.347 2.444 10 0 CEAEHM [O-]c1c(Br)cc(O)cc1OC(F)F ZINC000575680398 366325899 /nfs/dbraw/zinc/32/58/99/366325899.db2.gz JJVWIUTZBRXZHW-UHFFFAOYSA-N -1 3 255.014 2.462 10 0 CEAEHM C[C@H](O)CNc1c2c(nc3ccc(C(=O)[O-])cc31)CCC2 ZINC000004226655 361306625 /nfs/dbraw/zinc/30/66/25/361306625.db2.gz GHMPTRYTYBNSHT-VIFPVBQESA-N -1 3 286.331 2.214 10 0 CEAEHM Cc1cc(NCCCO)c2cccc(C(=O)[O-])c2n1 ZINC000004226594 361306708 /nfs/dbraw/zinc/30/67/08/361306708.db2.gz HECOBTAITVIOCN-UHFFFAOYSA-N -1 3 260.293 2.036 10 0 CEAEHM Cn1[n-]c(N)c(-c2c(Cl)cccc2Cl)c1=O ZINC000106123279 364703984 /nfs/dbraw/zinc/70/39/84/364703984.db2.gz MZSFVIWQTZIMSV-UHFFFAOYSA-N -1 3 258.108 2.269 10 0 CEAEHM CC(C)CCOCCN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262928514 371924715 /nfs/dbraw/zinc/92/47/15/371924715.db2.gz HPEHSXXFKLQVQR-GHMZBOCLSA-N -1 3 297.317 2.244 10 0 CEAEHM COC(=O)c1ccc2[n-]c(-c3nccs3)nc2c1 ZINC000261508729 190040135 /nfs/dbraw/zinc/04/01/35/190040135.db2.gz WGUWGJKNFDSHQR-UHFFFAOYSA-N -1 3 259.290 2.473 10 0 CEAEHM CCc1ccc([O-])c(-c2nc(C(C)(C)NC(C)=O)no2)c1 ZINC000184867731 249334375 /nfs/dbraw/zinc/33/43/75/249334375.db2.gz PQRROFWKVHTUEE-UHFFFAOYSA-N -1 3 289.335 2.376 10 0 CEAEHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(N)c(F)cc1F ZINC000021507514 184536117 /nfs/dbraw/zinc/53/61/17/184536117.db2.gz BPWVXUJIBKOBJY-SSDOTTSWSA-N -1 3 278.324 2.014 10 0 CEAEHM Cc1c([C@@H](C)NCc2cc(C(=O)[O-])cs2)cnn1C ZINC000095004964 184913511 /nfs/dbraw/zinc/91/35/11/184913511.db2.gz PRAVFSJJPRHICP-MRVPVSSYSA-N -1 3 279.365 2.339 10 0 CEAEHM CCCc1nc(C(=O)Nc2ccc(OCC)cc2)n[n-]1 ZINC000095048730 184925461 /nfs/dbraw/zinc/92/54/61/184925461.db2.gz KIDRVZCEALVEGJ-UHFFFAOYSA-N -1 3 274.324 2.408 10 0 CEAEHM O=C(Nc1ccc(N2CCCCC2)cc1)c1cnc[n-]c1=O ZINC000082335177 135006606 /nfs/dbraw/zinc/00/66/06/135006606.db2.gz RBAZAUZFXADSBJ-UHFFFAOYSA-N -1 3 298.346 2.013 10 0 CEAEHM Cc1ccc([O-])c(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)c1 ZINC000227703764 153350469 /nfs/dbraw/zinc/35/04/69/153350469.db2.gz KLYIFARGOLCTJH-ZIAGYGMSSA-N -1 3 288.391 2.399 10 0 CEAEHM CCCCC[N-]S(=O)(=O)c1cc(N)c(F)cc1F ZINC000020559281 171251117 /nfs/dbraw/zinc/25/11/17/171251117.db2.gz WMXNGOSUCROEAD-UHFFFAOYSA-N -1 3 278.324 2.016 10 0 CEAEHM COc1ccc(NC(=O)c2cccc([O-])c2)c(N)c1 ZINC000022144456 171356043 /nfs/dbraw/zinc/35/60/43/171356043.db2.gz OHDFMFGASPDYEQ-UHFFFAOYSA-N -1 3 258.277 2.235 10 0 CEAEHM Cc1ccc([N-]S(=O)(=O)c2ccccc2CN)cc1F ZINC000022168952 171367095 /nfs/dbraw/zinc/36/70/95/171367095.db2.gz DIKGOJKDXWCJBR-UHFFFAOYSA-N -1 3 294.351 2.394 10 0 CEAEHM C[C@H]1[C@H](NS(=O)(=O)c2ccc([O-])cc2)CCC[C@@H]1C ZINC000037296548 173100758 /nfs/dbraw/zinc/10/07/58/173100758.db2.gz SOZNKIDELZCGIS-MISXGVKJSA-N -1 3 283.393 2.495 10 0 CEAEHM C[C@](N)(C(=O)Nc1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000040479392 174283649 /nfs/dbraw/zinc/28/36/49/174283649.db2.gz PVOBWQYWAMVCGO-CYBMUJFWSA-N -1 3 282.727 2.104 10 0 CEAEHM CCC[C@@](C)(N)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000040483976 174287724 /nfs/dbraw/zinc/28/77/24/174287724.db2.gz NJWFDYGZMPUXKO-MRXNPFEDSA-N -1 3 292.379 2.320 10 0 CEAEHM CC[C@H](C)[C@H](N)C(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000040484728 174288262 /nfs/dbraw/zinc/28/82/62/174288262.db2.gz OKCQSXIINFFWAL-ZANVPECISA-N -1 3 298.770 2.131 10 0 CEAEHM CCN1CCC[C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC000040503042 174299887 /nfs/dbraw/zinc/29/98/87/174299887.db2.gz URVULSDHYXNNOK-CYBMUJFWSA-N -1 3 296.411 2.012 10 0 CEAEHM O=C([O-])[C@@H](NC[C@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000043391052 175034124 /nfs/dbraw/zinc/03/41/24/175034124.db2.gz SEHKYULINGUGMS-SKDRFNHKSA-N -1 3 287.718 2.373 10 0 CEAEHM O=C([O-])/C=C/c1csc(CN2CCC[C@H](CO)C2)c1 ZINC000043699310 175097270 /nfs/dbraw/zinc/09/72/70/175097270.db2.gz WVEGISSOUZSJGT-PCAWENJQSA-N -1 3 281.377 2.050 10 0 CEAEHM O=C([O-])/C=C/c1csc(CN2CCCC[C@@H]2CO)c1 ZINC000043699243 175097587 /nfs/dbraw/zinc/09/75/87/175097587.db2.gz FZRJQUZOYABOBA-ZYOFXKKJSA-N -1 3 281.377 2.193 10 0 CEAEHM O=C(c1cccc([O-])c1)N(CCO)C1CCCCC1 ZINC000044414827 175173105 /nfs/dbraw/zinc/17/31/05/175173105.db2.gz AASBMKJMYRFELP-UHFFFAOYSA-N -1 3 263.337 2.159 10 0 CEAEHM C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1nn[n-]n1 ZINC000044888279 175271061 /nfs/dbraw/zinc/27/10/61/175271061.db2.gz RRCMXCNBIKLBTB-YUMQZZPRSA-N -1 3 251.721 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ZINC000054822038 526894005 /nfs/dbraw/zinc/89/40/05/526894005.db2.gz FPZCSASHDOORNW-SNVBAGLBSA-N -1 3 265.338 2.085 10 0 CEAEHM NC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000061612448 527202099 /nfs/dbraw/zinc/20/20/99/527202099.db2.gz KBRXYKLPDNGQDY-CQSZACIVSA-N -1 3 284.315 2.066 10 0 CEAEHM O=c1ccn(CCCOc2ccccc2)c(=S)[n-]1 ZINC000052312994 527491226 /nfs/dbraw/zinc/49/12/26/527491226.db2.gz SGLUWNQRGVSKHL-UHFFFAOYSA-N -1 3 262.334 2.375 10 0 CEAEHM O=C([O-])CC1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC000062655997 527570270 /nfs/dbraw/zinc/57/02/70/527570270.db2.gz VRGQGXRWQLQEHU-AGUYFDCRSA-N -1 3 260.337 2.299 10 0 CEAEHM Cn1nccc1C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000182480480 527599860 /nfs/dbraw/zinc/59/98/60/527599860.db2.gz KIBKSRLRWLXXNN-UHFFFAOYSA-N -1 3 285.347 2.146 10 0 CEAEHM O=C([O-])[C@@H](NCc1sccc1Br)C1CC1 ZINC000054522238 527655711 /nfs/dbraw/zinc/65/57/11/527655711.db2.gz VEKKYIOROVAZLU-VIFPVBQESA-N -1 3 290.182 2.463 10 0 CEAEHM CC(C)N1C[C@H](C(=O)[O-])[C@@H](c2cc(F)cc(F)c2)C1 ZINC000757193352 574512068 /nfs/dbraw/zinc/51/20/68/574512068.db2.gz SWTAYIOQIBNSQJ-OLZOCXBDSA-N -1 3 269.291 2.473 10 0 CEAEHM C[C@H]1CN(c2ccnc3ccccc32)C[C@H]1C(=O)[O-] ZINC000251793717 631663196 /nfs/dbraw/zinc/66/31/96/631663196.db2.gz NOOVLASJAIDGKN-CMPLNLGQSA-N -1 3 256.305 2.392 10 0 CEAEHM Cc1c(C(F)(F)F)[n-]n(CCN(C)C)c1=S ZINC000082579705 178118944 /nfs/dbraw/zinc/11/89/44/178118944.db2.gz CBYJUGLUDAZGCJ-UHFFFAOYSA-N -1 3 253.293 2.061 10 0 CEAEHM CCOC(=O)c1nn[n-]c1[C@H](C)c1cccs1 ZINC000725266573 539213622 /nfs/dbraw/zinc/21/36/22/539213622.db2.gz POTJLCIIBGFZTJ-SSDOTTSWSA-N -1 3 251.311 2.195 10 0 CEAEHM CCOC(=O)c1[n-]nnc1[C@H](C)c1cccs1 ZINC000725266573 539213624 /nfs/dbraw/zinc/21/36/24/539213624.db2.gz POTJLCIIBGFZTJ-SSDOTTSWSA-N -1 3 251.311 2.195 10 0 CEAEHM CCOC(=O)c1n[n-]nc1[C@H](C)c1cccs1 ZINC000725266573 539213626 /nfs/dbraw/zinc/21/36/26/539213626.db2.gz POTJLCIIBGFZTJ-SSDOTTSWSA-N -1 3 251.311 2.195 10 0 CEAEHM Oc1ccc(CNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000095175204 344235717 /nfs/dbraw/zinc/23/57/17/344235717.db2.gz LJUDOTPKJMHHTI-UHFFFAOYSA-N -1 3 267.292 2.184 10 0 CEAEHM Oc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000095175204 344235719 /nfs/dbraw/zinc/23/57/19/344235719.db2.gz LJUDOTPKJMHHTI-UHFFFAOYSA-N -1 3 267.292 2.184 10 0 CEAEHM N[C@H](CC(=O)[O-])c1c(F)cccc1Br ZINC000218448234 344536385 /nfs/dbraw/zinc/53/63/85/344536385.db2.gz AHNJZDICJLYXBJ-SSDOTTSWSA-N -1 3 262.078 2.063 10 0 CEAEHM [O-]c1cncc(Br)c1OC(F)(F)F ZINC000238672184 344607556 /nfs/dbraw/zinc/60/75/56/344607556.db2.gz YKENLGQOVCBQPM-UHFFFAOYSA-N -1 3 257.993 2.448 10 0 CEAEHM O=C([O-])c1cnoc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000302654462 344704338 /nfs/dbraw/zinc/70/43/38/344704338.db2.gz ZPXQQENDRZCPIZ-ONGXEEELSA-N -1 3 250.298 2.137 10 0 CEAEHM S=c1[n-]nc(-c2nscc2Br)o1 ZINC000404794987 344882620 /nfs/dbraw/zinc/88/26/20/344882620.db2.gz HDYNQKPWHLFGET-UHFFFAOYSA-N -1 3 264.129 2.244 10 0 CEAEHM O=C1c2ccccc2-c2c1sc1[n-]cnc(=O)c12 ZINC000584632558 344969774 /nfs/dbraw/zinc/96/97/74/344969774.db2.gz JUIHVCGKXNPROM-UHFFFAOYSA-N -1 3 254.270 2.196 10 0 CEAEHM CCCCc1ccc(-c2nc3nc(N)[nH]c(=O)c3[n-]2)cc1 ZINC000059362960 362648321 /nfs/dbraw/zinc/64/83/21/362648321.db2.gz KZMXDLHPPQUFFK-UHFFFAOYSA-N -1 3 283.335 2.238 10 0 CEAEHM CCCCc1ccc(-c2nc3c([n-]2)nc(N)[nH]c3=O)cc1 ZINC000059362960 362648325 /nfs/dbraw/zinc/64/83/25/362648325.db2.gz KZMXDLHPPQUFFK-UHFFFAOYSA-N -1 3 283.335 2.238 10 0 CEAEHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c(O)c2)cc1 ZINC000058863670 362640296 /nfs/dbraw/zinc/64/02/96/362640296.db2.gz ISJOOAZFHRGVEA-UHFFFAOYSA-N -1 3 278.333 2.084 10 0 CEAEHM CN[C@@](C)(C(=O)[O-])c1cc(Br)ccc1F ZINC000084666718 178910944 /nfs/dbraw/zinc/91/09/44/178910944.db2.gz VPPHFZYWHWDPEM-SNVBAGLBSA-N -1 3 276.105 2.107 10 0 CEAEHM CCc1n[n-]c(S(=O)(=O)Cc2cc(C)sc2C)n1 ZINC000175633707 232315384 /nfs/dbraw/zinc/31/53/84/232315384.db2.gz SXDSYBZUNYPHRX-UHFFFAOYSA-N -1 3 285.394 2.019 10 0 CEAEHM CCc1nnc(S(=O)(=O)Cc2cc(C)sc2C)[n-]1 ZINC000175633707 232315386 /nfs/dbraw/zinc/31/53/86/232315386.db2.gz SXDSYBZUNYPHRX-UHFFFAOYSA-N -1 3 285.394 2.019 10 0 CEAEHM CC(C)c1nc(C(=O)N2CCN(C)c3ccccc32)n[n-]1 ZINC000095064239 136515685 /nfs/dbraw/zinc/51/56/85/136515685.db2.gz GJUATXKHXDRDRQ-UHFFFAOYSA-N -1 3 285.351 2.025 10 0 CEAEHM CC1(C)[C@@H]2C(=O)N(c3ccc([O-])cc3Cl)C(=O)[C@@H]21 ZINC000085405265 179054257 /nfs/dbraw/zinc/05/42/57/179054257.db2.gz KYWUWNMTBTUHCB-AOOOYVTPSA-N -1 3 265.696 2.191 10 0 CEAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC000085810831 179177456 /nfs/dbraw/zinc/17/74/56/179177456.db2.gz GPAAFHUMOCOVJB-ZDUSSCGKSA-N -1 3 284.315 2.094 10 0 CEAEHM NCc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000085810695 179177914 /nfs/dbraw/zinc/17/79/14/179177914.db2.gz XQNJXQGTGFZCAV-UHFFFAOYSA-N -1 3 268.363 2.008 10 0 CEAEHM N#C[N-]C(=O)c1cc(Br)ccc1Cl ZINC000086077386 179225784 /nfs/dbraw/zinc/22/57/84/179225784.db2.gz UXOJQFLHVOFNIY-UHFFFAOYSA-N -1 3 259.490 2.313 10 0 CEAEHM C[C@H](C(=O)Nc1ncccc1[O-])[C@H](N)c1ccccc1 ZINC000128604324 187380054 /nfs/dbraw/zinc/38/00/54/187380054.db2.gz UTRDLOIFSRMIAT-GWCFXTLKSA-N -1 3 271.320 2.062 10 0 CEAEHM CC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000086515801 179305801 /nfs/dbraw/zinc/30/58/01/179305801.db2.gz NELONHAMMZEFAS-LURJTMIESA-N -1 3 296.175 2.249 10 0 CEAEHM C[C@H]1CCC[C@@H]1Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000086670329 179317417 /nfs/dbraw/zinc/31/74/17/179317417.db2.gz KKBBAMWOYSBHEW-WPRPVWTQSA-N -1 3 259.309 2.229 10 0 CEAEHM CCn1nc(C)c([C@H](C)N(C)CCCC(=O)[O-])c1C ZINC000086802031 179336718 /nfs/dbraw/zinc/33/67/18/179336718.db2.gz ULFLKTUBHLLNCP-NSHDSACASA-N -1 3 267.373 2.377 10 0 CEAEHM C[C@H](CN(C)[C@@H](C)c1nc2ccccc2n1C)C(=O)[O-] ZINC000086807610 179339187 /nfs/dbraw/zinc/33/91/87/179339187.db2.gz NKTVGTSTMDRREF-MNOVXSKESA-N -1 3 275.352 2.287 10 0 CEAEHM O=C([O-])C1CN([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000086811189 179340597 /nfs/dbraw/zinc/34/05/97/179340597.db2.gz WUENUOUKWFGLCT-BDAKNGLRSA-N 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O=S(=O)([N-][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1F ZINC000645850998 374224061 /nfs/dbraw/zinc/22/40/61/374224061.db2.gz YRUKBZIBOURJPF-HOSYDEDBSA-N -1 3 269.341 2.293 10 0 CEAEHM Cc1cnn(CCNCc2cccc([O-])c2Cl)c1 ZINC000293699017 377709547 /nfs/dbraw/zinc/70/95/47/377709547.db2.gz WXTOPEBDGMWTBU-UHFFFAOYSA-N -1 3 265.744 2.340 10 0 CEAEHM CCC[C@](CC(=O)[O-])(c1ccccc1)N1CCOCC1 ZINC000080677666 177689821 /nfs/dbraw/zinc/68/98/21/177689821.db2.gz UKXROXKDVXGXMM-INIZCTEOSA-N -1 3 277.364 2.489 10 0 CEAEHM CN1CCN([C@H](CC(=O)[O-])c2ccccc2C2CC2)CC1 ZINC000094529114 184813619 /nfs/dbraw/zinc/81/36/19/184813619.db2.gz JNHJTCDXJMVOQM-MRXNPFEDSA-N -1 3 288.391 2.327 10 0 CEAEHM CCC1(C(=O)[O-])CCN(Cc2cccnc2OC)CC1 ZINC000095009132 184914694 /nfs/dbraw/zinc/91/46/94/184914694.db2.gz XCNSLDBMHHFWGC-UHFFFAOYSA-N -1 3 278.352 2.167 10 0 CEAEHM CC(C)c1nc(C(=O)Nc2cccc(F)c2F)n[n-]1 ZINC000095056081 184925542 /nfs/dbraw/zinc/92/55/42/184925542.db2.gz DCUVAVUFGTXPIL-UHFFFAOYSA-N -1 3 266.251 2.459 10 0 CEAEHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCO[C@@H]3C)[n-]2)o1 ZINC000190633111 130129103 /nfs/dbraw/zinc/12/91/03/130129103.db2.gz CTIDXMSEOWQNIZ-NXEZZACHSA-N -1 3 290.323 2.127 10 0 CEAEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCCO[C@@H]3C)n2)o1 ZINC000190633111 130129104 /nfs/dbraw/zinc/12/91/04/130129104.db2.gz CTIDXMSEOWQNIZ-NXEZZACHSA-N -1 3 290.323 2.127 10 0 CEAEHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCO[C@@H]3C)n[n-]2)o1 ZINC000190633111 130129107 /nfs/dbraw/zinc/12/91/07/130129107.db2.gz CTIDXMSEOWQNIZ-NXEZZACHSA-N -1 3 290.323 2.127 10 0 CEAEHM C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([O-])cc2)[C@H]1C ZINC000252197335 296485914 /nfs/dbraw/zinc/48/59/14/296485914.db2.gz SOZNKIDELZCGIS-SUNKGSAMSA-N -1 3 283.393 2.495 10 0 CEAEHM [O-]c1ccccc1-c1nc(COC[C@H]2CCCO2)no1 ZINC000647721640 395748873 /nfs/dbraw/zinc/74/88/73/395748873.db2.gz ISVNXPFVRCHYFU-SNVBAGLBSA-N -1 3 276.292 2.138 10 0 CEAEHM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([O-])cc1 ZINC000037083713 287015778 /nfs/dbraw/zinc/01/57/78/287015778.db2.gz 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CC(C)CNCc1cc2c(cc1O[C@H](C)C(=O)[O-])OCO2 ZINC000062733965 519747014 /nfs/dbraw/zinc/74/70/14/519747014.db2.gz GWBBQUQIFDDSQC-SNVBAGLBSA-N -1 3 295.335 2.013 10 0 CEAEHM CCNC(C)(C)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000061298040 519903333 /nfs/dbraw/zinc/90/33/33/519903333.db2.gz AZKFJFLFMIDGHH-UHFFFAOYSA-N -1 3 298.770 2.146 10 0 CEAEHM CCN[C@@H](C)c1ccc(F)cc1O[C@@H](C)C(=O)[O-] ZINC000062746748 520077070 /nfs/dbraw/zinc/07/70/70/520077070.db2.gz XEUVXKXSOHTLEK-IUCAKERBSA-N -1 3 255.289 2.348 10 0 CEAEHM CCN[C@@H](C)c1cccc(S(=O)(=O)[N-]c2cnoc2)c1 ZINC000061685639 520077833 /nfs/dbraw/zinc/07/78/33/520077833.db2.gz JUUHUIUVJWPLRU-JTQLQIEISA-N -1 3 295.364 2.146 10 0 CEAEHM CCN(CC(=O)N(CC)c1ccccc1)[C@@H](C)CC(=O)[O-] ZINC000061183344 520306483 /nfs/dbraw/zinc/30/64/83/520306483.db2.gz OAOKIDJYUHDFFL-ZDUSSCGKSA-N -1 3 292.379 2.225 10 0 CEAEHM CN(C)C[C@H]1CCCN1c1nc(C2CC2)c(C(=O)[O-])s1 ZINC000069182356 521874799 /nfs/dbraw/zinc/87/47/99/521874799.db2.gz SBEWDEHZOSRARO-SNVBAGLBSA-N -1 3 295.408 2.249 10 0 CEAEHM COCc1cc(=O)[n-]c(C23CC4CC(CC(C4)C2)C3)n1 ZINC000055270265 522904081 /nfs/dbraw/zinc/90/40/81/522904081.db2.gz HDOCXOMFDDQQKX-UHFFFAOYSA-N -1 3 274.364 2.384 10 0 CEAEHM CN(Cc1cccnc1)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000062752332 523417756 /nfs/dbraw/zinc/41/77/56/523417756.db2.gz MKQOWEHZTNWXEJ-OAHLLOKOSA-N -1 3 270.332 2.382 10 0 CEAEHM COc1ccc(C(C)=O)cc1CN(C)C(C)(C)C(=O)[O-] ZINC000061172598 523792095 /nfs/dbraw/zinc/79/20/95/523792095.db2.gz YEPNLRSDZZEOLC-UHFFFAOYSA-N -1 3 279.336 2.193 10 0 CEAEHM COc1ccccc1N1CCN([C@@H](C)CCC(=O)[O-])CC1 ZINC000050956407 524559660 /nfs/dbraw/zinc/55/96/60/524559660.db2.gz MPNHKYRJEWLTDN-ZDUSSCGKSA-N -1 3 292.379 2.071 10 0 CEAEHM COc1ccc([N-]S(=O)(=O)c2cccc(N)c2)c(C)c1 ZINC000061565210 524697416 /nfs/dbraw/zinc/69/74/16/524697416.db2.gz KPJLMVBYFHHCGU-UHFFFAOYSA-N -1 3 292.360 2.387 10 0 CEAEHM Cc1ccc([N-]S(=O)(=O)c2ccc(N)nc2)c(Cl)c1 ZINC000050650327 525298430 /nfs/dbraw/zinc/29/84/30/525298430.db2.gz 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/nfs/dbraw/zinc/03/45/74/185034574.db2.gz QJIPOVWLCBIZKT-UHFFFAOYSA-N -1 3 262.261 2.349 10 0 CEAEHM CC(C)(C(=O)Nc1ncccc1[O-])c1ccc(N)cc1 ZINC000082698088 178197262 /nfs/dbraw/zinc/19/72/62/178197262.db2.gz OHUZSFTXTNQRJU-UHFFFAOYSA-N -1 3 271.320 2.286 10 0 CEAEHM O=C(/C=C\c1cncc([O-])c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000492469846 290617277 /nfs/dbraw/zinc/61/72/77/290617277.db2.gz DJYXXFPKJGABGN-FOSCPCJNSA-N -1 3 298.346 2.277 10 0 CEAEHM CCOC(=O)c1nn[n-]c1-c1ccc(CC)s1 ZINC000725266560 539213684 /nfs/dbraw/zinc/21/36/84/539213684.db2.gz OHASFDOAOUKILS-UHFFFAOYSA-N -1 3 251.311 2.272 10 0 CEAEHM CCOC(=O)c1[n-]nnc1-c1ccc(CC)s1 ZINC000725266560 539213685 /nfs/dbraw/zinc/21/36/85/539213685.db2.gz OHASFDOAOUKILS-UHFFFAOYSA-N -1 3 251.311 2.272 10 0 CEAEHM CCOC(=O)c1n[n-]nc1-c1ccc(CC)s1 ZINC000725266560 539213686 /nfs/dbraw/zinc/21/36/86/539213686.db2.gz OHASFDOAOUKILS-UHFFFAOYSA-N -1 3 251.311 2.272 10 0 CEAEHM CCOC(=O)[C@]([O-])(c1cccc(OC)c1)C(F)(F)F ZINC000043465322 362145721 /nfs/dbraw/zinc/14/57/21/362145721.db2.gz ZGOXLISJKZMXJM-LLVKDONJSA-N -1 3 278.226 2.008 10 0 CEAEHM O=c1[n-]ccnc1Oc1ccccc1Br ZINC000162956995 344469394 /nfs/dbraw/zinc/46/93/94/344469394.db2.gz CRQPUQVMTLWETG-UHFFFAOYSA-N -1 3 267.082 2.325 10 0 CEAEHM CCOC(=O)Cc1ccc(Br)c([O-])c1 ZINC000238258835 344606062 /nfs/dbraw/zinc/60/60/62/344606062.db2.gz WRUNVLFVYOMETN-UHFFFAOYSA-N -1 3 259.099 2.260 10 0 CEAEHM CC(C)(C)c1ccccc1NC(=O)[C@H](N)CCC(=O)[O-] ZINC000085819305 179182140 /nfs/dbraw/zinc/18/21/40/179182140.db2.gz YOKNTQSWFDQDCP-LLVKDONJSA-N -1 3 278.352 2.115 10 0 CEAEHM CC[C@@H](NC(=O)[C@H](N)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000085819384 179182238 /nfs/dbraw/zinc/18/22/38/179182238.db2.gz PJQSATMDVBXDKG-VXGBXAGGSA-N -1 3 298.770 2.099 10 0 CEAEHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085838891 179184957 /nfs/dbraw/zinc/18/49/57/179184957.db2.gz QKMSTQKYYHZTMC-JOYOIKCWSA-N -1 3 298.770 2.052 10 0 CEAEHM CC[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(N)cs2)[C@@H]1C 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C[C@H](c1cnn(C)c1)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000086806512 179339082 /nfs/dbraw/zinc/33/90/82/179339082.db2.gz UJVNCAILLKIBFG-IAQYHMDHSA-N -1 3 285.347 2.165 10 0 CEAEHM COc1cccc(C(=O)NC[C@]2(O)CCC[C@H](C)C2)c1[O-] ZINC000087074543 179391941 /nfs/dbraw/zinc/39/19/41/179391941.db2.gz FHEVWGPGJZCYDO-ZBEGNZNMSA-N -1 3 293.363 2.072 10 0 CEAEHM C[C@@H]1CN(c2ccnc3ccccc32)C[C@H]1C(=O)[O-] ZINC000235387833 539767451 /nfs/dbraw/zinc/76/74/51/539767451.db2.gz NOOVLASJAIDGKN-ZYHUDNBSSA-N -1 3 256.305 2.392 10 0 CEAEHM CC[C@@H](C)N1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000091782213 180253931 /nfs/dbraw/zinc/25/39/31/180253931.db2.gz JJXMLUWMTGFDGY-NEPJUHHUSA-N -1 3 280.368 2.455 10 0 CEAEHM CCCNCc1nc(C)ccc1O[C@H](CC)C(=O)[O-] ZINC000091995258 180302318 /nfs/dbraw/zinc/30/23/18/180302318.db2.gz ISLUGFNLHIFGQT-GFCCVEGCSA-N -1 3 266.341 2.132 10 0 CEAEHM CC[C@H](Oc1ccc(C)nc1CNC(C)C)C(=O)[O-] ZINC000091995588 180302354 /nfs/dbraw/zinc/30/23/54/180302354.db2.gz NHGSXGBMBGOBAZ-LBPRGKRZSA-N -1 3 266.341 2.130 10 0 CEAEHM Cc1cc(NC(=O)CNC(C)(C)C)cc(C(=O)[O-])c1C ZINC000092461201 180390177 /nfs/dbraw/zinc/39/01/77/180390177.db2.gz RGXPDZVDGJVTMH-UHFFFAOYSA-N -1 3 278.352 2.328 10 0 CEAEHM CC(C)(C)NCC(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000092461353 180390285 /nfs/dbraw/zinc/39/02/85/180390285.db2.gz ZDGFYRVHHLEWAE-UHFFFAOYSA-N -1 3 284.743 2.365 10 0 CEAEHM Cc1ccc(NC(=O)CNC(C)(C)C)cc1C(=O)[O-] ZINC000092461271 180390413 /nfs/dbraw/zinc/39/04/13/180390413.db2.gz ZXEPTXSLPQVAQF-UHFFFAOYSA-N -1 3 264.325 2.020 10 0 CEAEHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCCCC3)cc1O ZINC000109521600 186258936 /nfs/dbraw/zinc/25/89/36/186258936.db2.gz VHIQSWBIMFBCNM-UHFFFAOYSA-N -1 3 286.331 2.420 10 0 CEAEHM CCOC(=O)c1nc(CCc2cccc(C)c2)n[n-]1 ZINC000109605709 186267461 /nfs/dbraw/zinc/26/74/61/186267461.db2.gz NBJCNYIKMAJLHR-UHFFFAOYSA-N -1 3 259.309 2.075 10 0 CEAEHM CCOC(=O)c1nnc(CCc2cccc(C)c2)[n-]1 ZINC000109605709 186267462 /nfs/dbraw/zinc/26/74/62/186267462.db2.gz NBJCNYIKMAJLHR-UHFFFAOYSA-N -1 3 259.309 2.075 10 0 CEAEHM CCOC(=O)c1n[n-]c(CCc2cccc(C)c2)n1 ZINC000109605709 186267464 /nfs/dbraw/zinc/26/74/64/186267464.db2.gz NBJCNYIKMAJLHR-UHFFFAOYSA-N -1 3 259.309 2.075 10 0 CEAEHM CCc1nc(N2CC[C@H](N3CCCC3)C2)sc1C(=O)[O-] ZINC000110272446 186289818 /nfs/dbraw/zinc/28/98/18/186289818.db2.gz HICXDRDESMIJLW-JTQLQIEISA-N -1 3 295.408 2.078 10 0 CEAEHM CC(C)c1c(N)nc(CCc2ccccc2)[n-]c1=O ZINC000110473126 186297819 /nfs/dbraw/zinc/29/78/19/186297819.db2.gz FFSSOTMPFPOFJX-UHFFFAOYSA-N -1 3 257.337 2.261 10 0 CEAEHM CCc1nc(-c2ccc3c(c2)OCCO3)[n-]c(=O)c1C ZINC000110476393 186298717 /nfs/dbraw/zinc/29/87/17/186298717.db2.gz YWRNXZCCUWSJLG-UHFFFAOYSA-N -1 3 272.304 2.079 10 0 CEAEHM Cc1c(Cl)ncnc1Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000111294874 186391741 /nfs/dbraw/zinc/39/17/41/186391741.db2.gz ATHRIMNDNDIHSC-UHFFFAOYSA-N -1 3 288.694 2.066 10 0 CEAEHM CCN1CCC[C@@H]1CN(C)c1ncc(C(=O)[O-])cc1Cl ZINC000092633106 539827889 /nfs/dbraw/zinc/82/78/89/539827889.db2.gz REXSBWMCSQGJGQ-LLVKDONJSA-N -1 3 297.786 2.354 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XOOATVNRJJKSIY-DZGCQCFKSA-N -1 3 291.347 2.184 10 0 CEAEHM COc1cccc(C(=O)Nc2cccc(N)c2)c1[O-] ZINC000019472045 170805243 /nfs/dbraw/zinc/80/52/43/170805243.db2.gz JXPUGZKDUGXLKZ-UHFFFAOYSA-N -1 3 258.277 2.235 10 0 CEAEHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(CN)c2)cc1 ZINC000020189215 171054713 /nfs/dbraw/zinc/05/47/13/171054713.db2.gz AILKZBJZWUYOGP-UHFFFAOYSA-N -1 3 294.351 2.394 10 0 CEAEHM Cc1ccc([N-]S(=O)(=O)c2ccc(NN)cc2)cc1C ZINC000035354302 172145137 /nfs/dbraw/zinc/14/51/37/172145137.db2.gz WWRKBTDYFQXFSY-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(NN)cc1 ZINC000035354601 172145724 /nfs/dbraw/zinc/14/57/24/172145724.db2.gz JKSLRELEPPEQNE-UHFFFAOYSA-N -1 3 291.376 2.335 10 0 CEAEHM Cc1c(Cl)c(CNCC(=O)[O-])nc2ccccc12 ZINC000035385196 172167271 /nfs/dbraw/zinc/16/72/71/172167271.db2.gz QSSZIAUCSWORNF-UHFFFAOYSA-N -1 3 264.712 2.371 10 0 CEAEHM CCCc1nc(CN[C@H](C(=O)[O-])C(C)C)cs1 ZINC000035406535 172177610 /nfs/dbraw/zinc/17/76/10/172177610.db2.gz BRIPVESSWOSHMJ-NSHDSACASA-N -1 3 256.371 2.294 10 0 CEAEHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(N)cc1 ZINC000037177474 173010360 /nfs/dbraw/zinc/01/03/60/173010360.db2.gz HNWLLISHENAPGI-SNVBAGLBSA-N -1 3 256.305 2.465 10 0 CEAEHM COc1cccc2c(=O)c(C(=O)Nc3ccccn3)c[n-]c12 ZINC000039962845 174179870 /nfs/dbraw/zinc/17/98/70/174179870.db2.gz HUQCYRUBSUSEHQ-UHFFFAOYSA-N -1 3 295.298 2.184 10 0 CEAEHM CC[C@@H](C)[C@@H](N)C(=O)N(CCC(=O)[O-])c1ccc(C)cc1 ZINC000040483747 174287064 /nfs/dbraw/zinc/28/70/64/174287064.db2.gz RMAGTFJOOKQFEN-IUODEOHRSA-N -1 3 292.379 2.176 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000040483948 174287582 /nfs/dbraw/zinc/28/75/82/174287582.db2.gz ZQJKEMCVHLEORQ-ABAIWWIYSA-N -1 3 292.379 2.176 10 0 CEAEHM CCC[C@@](C)(N)C(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000040484785 174287914 /nfs/dbraw/zinc/28/79/14/174287914.db2.gz MFMHKDRGFPDAIV-CQSZACIVSA-N -1 3 298.770 2.275 10 0 CEAEHM CC[C@@H](C)[C@@H](N)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484602 174287939 /nfs/dbraw/zinc/28/79/39/174287939.db2.gz ZJWIRPIXFWVBCA-NOZJJQNGSA-N -1 3 298.770 2.131 10 0 CEAEHM CN1CCC[C@H](NC(=O)CC2(C(=O)[O-])CCCCCC2)C1 ZINC000040673255 174371773 /nfs/dbraw/zinc/37/17/73/174371773.db2.gz KZCOZYXTXLSSTA-ZDUSSCGKSA-N -1 3 296.411 2.012 10 0 CEAEHM CCN(CC)c1ncnc([N-]c2nccs2)c1N ZINC000040723221 174385160 /nfs/dbraw/zinc/38/51/60/174385160.db2.gz JHHDYQHZTSESBC-UHFFFAOYSA-N -1 3 264.358 2.105 10 0 CEAEHM CCC(CC)(CC(=O)NCCN1CCCCCC1)C(=O)[O-] ZINC000040767990 174398394 /nfs/dbraw/zinc/39/83/94/174398394.db2.gz ULZACSGODLRNMG-UHFFFAOYSA-N -1 3 298.427 2.260 10 0 CEAEHM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccccc1CN ZINC000043321556 175006019 /nfs/dbraw/zinc/00/60/19/175006019.db2.gz OWICMBPPCFCOLW-UHFFFAOYSA-N -1 3 294.351 2.394 10 0 CEAEHM CCCC[C@H](NCc1nn[n-]n1)c1ccc(F)cc1 ZINC000044928125 175277884 /nfs/dbraw/zinc/27/78/84/175277884.db2.gz KYOUMBOVXGLRMG-LBPRGKRZSA-N -1 3 263.320 2.360 10 0 CEAEHM c1sc(CNCc2nn[n-]n2)cc1-c1ccccc1 ZINC000044929121 175279110 /nfs/dbraw/zinc/27/91/10/175279110.db2.gz RBCNIKAQLSBFJY-UHFFFAOYSA-N -1 3 271.349 2.218 10 0 CEAEHM CC1([N-]S(=O)(=O)c2cc(N)ccc2F)CCCCC1 ZINC000045040790 175295047 /nfs/dbraw/zinc/29/50/47/175295047.db2.gz MMNQREUBPOWHQS-UHFFFAOYSA-N -1 3 286.372 2.409 10 0 CEAEHM CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171339 176051467 /nfs/dbraw/zinc/05/14/67/176051467.db2.gz DAIASEOEPRYVDL-QPUJVOFHSA-N -1 3 264.325 2.005 10 0 CEAEHM O=S(=O)([N-]CCc1ccccc1)c1cnccc1Cl ZINC000071203325 176078774 /nfs/dbraw/zinc/07/87/74/176078774.db2.gz DCFPEYCXRVQNBP-UHFFFAOYSA-N -1 3 296.779 2.256 10 0 CEAEHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cnccc1Cl ZINC000071204509 176079068 /nfs/dbraw/zinc/07/90/68/176079068.db2.gz VQOGQYBHNDNFGJ-IUCAKERBSA-N -1 3 276.789 2.448 10 0 CEAEHM Cn1ccnc1CNc1c(C(=O)[O-])cnc2ccccc21 ZINC000071275715 176106778 /nfs/dbraw/zinc/10/67/78/176106778.db2.gz DEZLDXHPGMVITL-UHFFFAOYSA-N -1 3 282.303 2.279 10 0 CEAEHM CCC[C@](C)(N)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392074 176148732 /nfs/dbraw/zinc/14/87/32/176148732.db2.gz XAXDDIHIPFDTGR-ZDUSSCGKSA-N -1 3 284.743 2.494 10 0 CEAEHM CCNC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071391973 176148799 /nfs/dbraw/zinc/14/87/99/176148799.db2.gz YQQHGVCBHXPVOX-UHFFFAOYSA-N -1 3 284.743 2.365 10 0 CEAEHM COc1ccc(CN(C)C)cc1N[C@@H](C)CCC(=O)[O-] ZINC000080164355 177617430 /nfs/dbraw/zinc/61/74/30/177617430.db2.gz MURIBTKJZDUGTE-NSHDSACASA-N -1 3 280.368 2.422 10 0 CEAEHM CCN=c1[n-]c(C(=O)N[C@H](CC)C(C)C)cs1 ZINC000426198433 271203179 /nfs/dbraw/zinc/20/31/79/271203179.db2.gz IXKAITITETYECE-SECBINFHSA-N -1 3 255.387 2.161 10 0 CEAEHM CS(=O)(=O)c1ccc(-c2cccc(C=O)c2[O-])cc1 ZINC000065342095 277501786 /nfs/dbraw/zinc/50/17/86/277501786.db2.gz WIHRDKKNBNLGJB-UHFFFAOYSA-N -1 3 276.313 2.275 10 0 CEAEHM CC(C)n1c(=O)[n-]nc1SCc1ccc(Cl)nc1 ZINC000061593891 519917825 /nfs/dbraw/zinc/91/78/25/519917825.db2.gz KUQKFHCJMCQANH-UHFFFAOYSA-N -1 3 284.772 2.493 10 0 CEAEHM CCO[C@@H](CCN(C)Cc1cccc(F)c1)C(=O)[O-] ZINC000062750943 520292367 /nfs/dbraw/zinc/29/23/67/520292367.db2.gz JLBQEHAMIRTDFL-ZDUSSCGKSA-N -1 3 269.316 2.137 10 0 CEAEHM CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(CN)s1 ZINC000050890205 521151179 /nfs/dbraw/zinc/15/11/79/521151179.db2.gz USDHCGCTPVTRQB-VIFPVBQESA-N -1 3 276.427 2.064 10 0 CEAEHM CC(C)(C)N1CCN(C[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000062755427 518711486 /nfs/dbraw/zinc/71/14/86/518711486.db2.gz KJCBWSMWZAZCJZ-HNNXBMFYSA-N -1 3 290.407 2.271 10 0 CEAEHM CC(C)(C)[C@@H]1CC[C@H](C(=O)[O-])[C@H](N2CCOCC2)C1 ZINC000062750054 518944679 /nfs/dbraw/zinc/94/46/79/518944679.db2.gz NTGXYBBKNPPLED-FRRDWIJNSA-N -1 3 269.385 2.234 10 0 CEAEHM CCN(C(=O)Nc1cccc(CNC)c1)[C@@H](C)CC(=O)[O-] ZINC000061213886 520000810 /nfs/dbraw/zinc/00/08/10/520000810.db2.gz OCNFNSCPXZHIAK-NSHDSACASA-N -1 3 293.367 2.123 10 0 CEAEHM CCN(CC(=O)N(CC)C1=CCCCC1)[C@@H](C)CC(=O)[O-] ZINC000061183493 520305687 /nfs/dbraw/zinc/30/56/87/520305687.db2.gz KLDUKRVDQGJZKC-ZDUSSCGKSA-N -1 3 296.411 2.478 10 0 CEAEHM CCn1c(=O)[n-]nc1Sc1ccc(F)cc1[C@@H](C)NC ZINC000061595853 523097393 /nfs/dbraw/zinc/09/73/93/523097393.db2.gz FOGVUJBFUCYOMU-MRVPVSSYSA-N -1 3 296.371 2.162 10 0 CEAEHM CCn1cc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC000050510350 523460376 /nfs/dbraw/zinc/46/03/76/523460376.db2.gz CWEIUGVYUBPUIL-BXUZGUMPSA-N -1 3 273.336 2.380 10 0 CEAEHM COCCN([C@@H](CC(=O)[O-])c1ccccc1)C1CC1 ZINC000062754574 523781022 /nfs/dbraw/zinc/78/10/22/523781022.db2.gz FXDVOWAINCDXIY-AWEZNQCLSA-N -1 3 263.337 2.313 10 0 CEAEHM COc1ccc(CN2CCCC2)cc1/C=C/C(=O)[O-] ZINC000049625852 524025388 /nfs/dbraw/zinc/02/53/88/524025388.db2.gz RJGUAKMDDYEGSO-FNORWQNLSA-N -1 3 261.321 2.389 10 0 CEAEHM Cc1cccc(N2CCN([C@@H](C)CCC(=O)[O-])CC2)c1 ZINC000050956353 524559956 /nfs/dbraw/zinc/55/99/56/524559956.db2.gz OQFYYKSPRQBVJO-AWEZNQCLSA-N -1 3 276.380 2.370 10 0 CEAEHM Cc1ccc(N(C)C2CCN(C)CC2)c(C(=O)[O-])c1 ZINC000052982203 524886349 /nfs/dbraw/zinc/88/63/49/524886349.db2.gz XPKPLPUFZYXWIS-UHFFFAOYSA-N -1 3 262.353 2.224 10 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10 0 CEAEHM CCS(=O)(=O)c1c(C(=O)[O-])oc2cccc(F)c21 ZINC000584881599 344996313 /nfs/dbraw/zinc/99/63/13/344996313.db2.gz MPKCMGLIZCJPTQ-UHFFFAOYSA-N -1 3 272.253 2.064 10 0 CEAEHM CC(C)(C)C[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])c1ccccc1 ZINC000085812369 179178551 /nfs/dbraw/zinc/17/85/51/179178551.db2.gz RRCNVHGIDOSQSS-QWHCGFSZSA-N -1 3 292.379 2.082 10 0 CEAEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](N)c1ccccc1 ZINC000128604620 187379470 /nfs/dbraw/zinc/37/94/70/187379470.db2.gz UTRDLOIFSRMIAT-MFKMUULPSA-N -1 3 271.320 2.062 10 0 CEAEHM O=C(Nc1ccc([O-])c(F)c1)c1ccncc1F ZINC000086316559 179269730 /nfs/dbraw/zinc/26/97/30/179269730.db2.gz ZEVNDESGXUXOAI-UHFFFAOYSA-N -1 3 250.204 2.318 10 0 CEAEHM CC[C@@H]1CN(C(=O)c2ccc(OC)cc2[O-])[C@H](CC)CN1 ZINC000086446950 179295860 /nfs/dbraw/zinc/29/58/60/179295860.db2.gz LUOINPCLEVDBMH-VXGBXAGGSA-N -1 3 292.379 2.003 10 0 CEAEHM C[C@@H](c1ccc(O)cc1)N1CCC(OCCC(=O)[O-])CC1 ZINC000086773824 179326455 /nfs/dbraw/zinc/32/64/55/179326455.db2.gz ACMPYONLUOKDBS-LBPRGKRZSA-N -1 3 293.363 2.409 10 0 CEAEHM COc1ccccc1[C@@H](C)N1CCC(OCC(=O)[O-])CC1 ZINC000086773475 179326688 /nfs/dbraw/zinc/32/66/88/179326688.db2.gz GXGFHUCRLBKQOW-GFCCVEGCSA-N -1 3 293.363 2.322 10 0 CEAEHM CCn1cc([C@H](C)N2CCC(C)(C(=O)[O-])CC2)cn1 ZINC000086776959 179329229 /nfs/dbraw/zinc/32/92/29/179329229.db2.gz JYIFXLCRBQMNJU-NSHDSACASA-N -1 3 265.357 2.151 10 0 CEAEHM COc1ccc([C@H](C)N2CC[C@H](C(=O)[O-])C2)cc1F ZINC000086789516 179335118 /nfs/dbraw/zinc/33/51/18/179335118.db2.gz YKZZEWRBVJJJJJ-ONGXEEELSA-N -1 3 267.300 2.302 10 0 CEAEHM CC[C@](C)(NCc1ccc(Br)o1)C(=O)[O-] ZINC000086799414 179336396 /nfs/dbraw/zinc/33/63/96/179336396.db2.gz GBQKRTRKNHYJSG-JTQLQIEISA-N -1 3 276.130 2.385 10 0 CEAEHM CCC1(C(=O)[O-])CCN([C@H]2COc3cc(O)ccc32)CC1 ZINC000086788863 179333709 /nfs/dbraw/zinc/33/37/09/179333709.db2.gz ZVGMHLDQXREARW-ZDUSSCGKSA-N -1 3 291.347 2.403 10 0 CEAEHM CC(C)S(=O)(=O)[N-]c1cc(Br)ccc1O ZINC000087049280 179388820 /nfs/dbraw/zinc/38/88/20/179388820.db2.gz CBTFTLJVHJLZEJ-UHFFFAOYSA-N -1 3 294.170 2.305 10 0 CEAEHM Cc1cccc(C(=O)NC[C@@]2(O)CCC[C@H](C)C2)c1[O-] ZINC000087075017 179392425 /nfs/dbraw/zinc/39/24/25/179392425.db2.gz LQBMOPGOZIQUMH-MEDUHNTESA-N -1 3 277.364 2.372 10 0 CEAEHM C[C@@H](C[C@H](CC(=O)[O-])N1CCN(C)CC1)c1ccccc1 ZINC000088045802 179539594 /nfs/dbraw/zinc/53/95/94/179539594.db2.gz CJNYUAFIGRHPKH-GOEBONIOSA-N -1 3 290.407 2.271 10 0 CEAEHM CCOc1ccccc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000091132031 180102055 /nfs/dbraw/zinc/10/20/55/180102055.db2.gz DYPYGWHLHSNIFF-ZDUSSCGKSA-N -1 3 295.404 2.477 10 0 CEAEHM O=C([O-])C[C@@H]1CN([C@@H]2CCC[C@H](C3CC3)C2)CCO1 ZINC000091298785 180125169 /nfs/dbraw/zinc/12/51/69/180125169.db2.gz QDANYFGQLZZVSY-BFHYXJOUSA-N -1 3 267.369 2.131 10 0 CEAEHM CC[C@@H]1Cc2c(Cl)c(OC)c(OC)cc2[C@H](C(=O)[O-])N1 ZINC000091543471 180184964 /nfs/dbraw/zinc/18/49/64/180184964.db2.gz XIPUAZALFYHPJY-JMCQJSRRSA-N -1 3 299.754 2.407 10 0 CEAEHM CCN1CCC[C@H](n2c(=O)c3sccc3[n-]c2=S)C1 ZINC000105041868 186038671 /nfs/dbraw/zinc/03/86/71/186038671.db2.gz IPFIBAJPCMBXOX-VIFPVBQESA-N -1 3 295.433 2.404 10 0 CEAEHM COCCN([C@H](C)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000091781353 180253457 /nfs/dbraw/zinc/25/34/57/180253457.db2.gz NLYTXPYPZKGICM-SECBINFHSA-N -1 3 253.298 2.150 10 0 CEAEHM CNC(=O)Nc1ccc(NCc2nc(C)ccc2[O-])cc1 ZINC000091994303 180300904 /nfs/dbraw/zinc/30/09/04/180300904.db2.gz IRUNQEJFVOZGCY-UHFFFAOYSA-N -1 3 286.335 2.459 10 0 CEAEHM Cc1ccc([O-])c(CNc2cccc(-n3cnnc3)c2)n1 ZINC000091993926 180301262 /nfs/dbraw/zinc/30/12/62/180301262.db2.gz KSHXXDUNMWJDCQ-UHFFFAOYSA-N -1 3 281.319 2.288 10 0 CEAEHM COc1ccc(-c2nc(C3CC3)cc(=O)[n-]2)cc1OC ZINC000109523630 186259138 /nfs/dbraw/zinc/25/91/38/186259138.db2.gz DNWKXSXKOQJOPY-UHFFFAOYSA-N -1 3 272.304 2.332 10 0 CEAEHM Cc1csc(Cc2nc3c(c(=O)[n-]2)CCCCC3)n1 ZINC000109521250 186259519 /nfs/dbraw/zinc/25/95/19/186259519.db2.gz USTPVZSVSLAJBU-UHFFFAOYSA-N -1 3 275.377 2.395 10 0 CEAEHM CC(C)CN(CCN(C)C)c1nc(Cl)ccc1C(=O)[O-] ZINC000109599383 186265726 /nfs/dbraw/zinc/26/57/26/186265726.db2.gz WDYHFBOKXWLLQE-UHFFFAOYSA-N -1 3 299.802 2.457 10 0 CEAEHM CCOC(=O)c1nc(CCc2ccc(C)cc2)n[n-]1 ZINC000109605752 186267980 /nfs/dbraw/zinc/26/79/80/186267980.db2.gz KSKWRICZKAQNOU-UHFFFAOYSA-N -1 3 259.309 2.075 10 0 CEAEHM CCOC(=O)c1nnc(CCc2ccc(C)cc2)[n-]1 ZINC000109605752 186267981 /nfs/dbraw/zinc/26/79/81/186267981.db2.gz KSKWRICZKAQNOU-UHFFFAOYSA-N -1 3 259.309 2.075 10 0 CEAEHM CCOC(=O)c1n[n-]c(CCc2ccc(C)cc2)n1 ZINC000109605752 186267982 /nfs/dbraw/zinc/26/79/82/186267982.db2.gz KSKWRICZKAQNOU-UHFFFAOYSA-N -1 3 259.309 2.075 10 0 CEAEHM Cc1c(N)nc(C2(c3ccccc3)CCC2)[n-]c1=O ZINC000110472554 186298448 /nfs/dbraw/zinc/29/84/48/186298448.db2.gz VTTJNRQUNLWRMO-UHFFFAOYSA-N -1 3 255.321 2.131 10 0 CEAEHM CCCOCCOC[C@](NCC)(C(=O)[O-])c1ccccc1 ZINC000111110347 186353954 /nfs/dbraw/zinc/35/39/54/186353954.db2.gz JKNCVBAFJPGLBR-MRXNPFEDSA-N -1 3 295.379 2.019 10 0 CEAEHM CCN1CCC[C@H]1CN(C)c1ncc(C(=O)[O-])cc1Cl ZINC000092633107 539827457 /nfs/dbraw/zinc/82/74/57/539827457.db2.gz REXSBWMCSQGJGQ-NSHDSACASA-N -1 3 297.786 2.354 10 0 CEAEHM CCOC(=O)c1cc([O-])cc(OC)c1Br ZINC000575700257 366334134 /nfs/dbraw/zinc/33/41/34/366334134.db2.gz RSQNBBGEAQJOFC-UHFFFAOYSA-N -1 3 275.098 2.340 10 0 CEAEHM O=C([O-])[C@@H](c1ccc2[nH]ccc2c1)N1CCSCC1 ZINC000095383313 304096873 /nfs/dbraw/zinc/09/68/73/304096873.db2.gz QYSJIMLMEVELMV-CYBMUJFWSA-N -1 3 276.361 2.342 10 0 CEAEHM CCC[C@H](C(=O)Nc1cccc([O-])c1F)N(C)C ZINC000180019275 368362801 /nfs/dbraw/zinc/36/28/01/368362801.db2.gz OZRBPUONNLHKBB-SNVBAGLBSA-N -1 3 254.305 2.200 10 0 CEAEHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1CCCO ZINC000236497616 370589330 /nfs/dbraw/zinc/58/93/30/370589330.db2.gz JXVMLTDFBABNHN-SNVBAGLBSA-N -1 3 283.755 2.423 10 0 CEAEHM CC(C)(C)[C@H](O)CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000380493198 375164263 /nfs/dbraw/zinc/16/42/63/375164263.db2.gz YMEJZRZYZLOOQZ-CQSZACIVSA-N -1 3 277.364 2.150 10 0 CEAEHM O=c1[n-]c(Nc2ccc(F)cc2F)nc2c1CCC2 ZINC000041598861 256869605 /nfs/dbraw/zinc/86/96/05/256869605.db2.gz QZQDNBMVJXCOLQ-UHFFFAOYSA-N -1 3 263.247 2.280 10 0 CEAEHM Cc1cccc(C(=O)N2CCS[C@@H](C)C2)c1[O-] ZINC000134348408 394957243 /nfs/dbraw/zinc/95/72/43/394957243.db2.gz HYUURERVHMSRRH-JTQLQIEISA-N -1 3 251.351 2.278 10 0 CEAEHM CCOC(=O)c1cc([O-])cc(OC(F)(F)F)c1 ZINC000575339218 395660009 /nfs/dbraw/zinc/66/00/09/395660009.db2.gz WYYGKHGNRXQPRC-UHFFFAOYSA-N -1 3 250.172 2.468 10 0 CEAEHM O=c1nncc(-c2ccc(Br)cc2)[n-]1 ZINC000020159570 296595820 /nfs/dbraw/zinc/59/58/20/296595820.db2.gz LSZMAVVFUZIPFT-UHFFFAOYSA-N -1 3 252.071 2.007 10 0 CEAEHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1COc2ccccc21 ZINC000179462308 165280143 /nfs/dbraw/zinc/28/01/43/165280143.db2.gz FYKAEHCTMGTEMS-GJBLVYBDSA-N -1 3 282.299 2.050 10 0 CEAEHM CN1CCCN(c2cccc(Cl)c2C(=O)[O-])CC1 ZINC000020217810 171080995 /nfs/dbraw/zinc/08/09/95/171080995.db2.gz ZLIRVBGDGKMSCC-UHFFFAOYSA-N -1 3 268.744 2.180 10 0 CEAEHM COc1ccc(Br)cc1[C@@H](N)CCC(=O)[O-] ZINC000020586988 171259643 /nfs/dbraw/zinc/25/96/43/171259643.db2.gz JDCQGHBOSWWUQY-VIFPVBQESA-N -1 3 288.141 2.322 10 0 CEAEHM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1CN ZINC000022164578 171365217 /nfs/dbraw/zinc/36/52/17/171365217.db2.gz JIGMAFRYESPDMG-UHFFFAOYSA-N -1 3 294.351 2.394 10 0 CEAEHM NCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000022174590 171369857 /nfs/dbraw/zinc/36/98/57/171369857.db2.gz BUDWWSJNFCZSAF-UHFFFAOYSA-N -1 3 280.324 2.085 10 0 CEAEHM CN(CCc1ccccn1)Cc1occc1C(=O)[O-] ZINC000035433012 172201035 /nfs/dbraw/zinc/20/10/35/172201035.db2.gz ZBPILFYPSWBUCY-UHFFFAOYSA-N -1 3 260.293 2.047 10 0 CEAEHM CCCCCN(C)S(=O)(=O)c1ccc([O-])cc1 ZINC000037172093 173005592 /nfs/dbraw/zinc/00/55/92/173005592.db2.gz LEYDMUGTRSJOSD-UHFFFAOYSA-N -1 3 257.355 2.203 10 0 CEAEHM C[C@H](NC(=O)c1cccc([O-])c1)c1cccc(N)c1 ZINC000037177709 173011256 /nfs/dbraw/zinc/01/12/56/173011256.db2.gz BSYKXFRUMUURDF-JTQLQIEISA-N -1 3 256.305 2.465 10 0 CEAEHM C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1N ZINC000037177999 173011582 /nfs/dbraw/zinc/01/15/82/173011582.db2.gz HOQLCGXSULFEHY-JTQLQIEISA-N -1 3 256.305 2.465 10 0 CEAEHM CN(C)[C@](C)(C(=O)[O-])c1ccccc1OC(F)F ZINC000037357675 173147513 /nfs/dbraw/zinc/14/75/13/173147513.db2.gz ZCNSZEBOSXMPRF-LBPRGKRZSA-N -1 3 259.252 2.149 10 0 CEAEHM CCN(CCC(=O)[O-])CC(=O)N(CC)C1=CCCCC1 ZINC000038024950 174008643 /nfs/dbraw/zinc/00/86/43/174008643.db2.gz QSPTYBJZFRGHJB-UHFFFAOYSA-N -1 3 282.384 2.089 10 0 CEAEHM O=S(=O)([N-]Cc1cccc(O)c1)c1ccc(F)cc1F ZINC000038032362 174027813 /nfs/dbraw/zinc/02/78/13/174027813.db2.gz QORXZUZVYNUYMS-UHFFFAOYSA-N -1 3 299.298 2.149 10 0 CEAEHM CC[C@H](C)[C@@H](N)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484604 174288122 /nfs/dbraw/zinc/28/81/22/174288122.db2.gz ZJWIRPIXFWVBCA-TVQRCGJNSA-N -1 3 298.770 2.131 10 0 CEAEHM Cc1cc(Oc2nc[n-]c(=O)c2N)cc(C)c1Cl ZINC000040796417 174407944 /nfs/dbraw/zinc/40/79/44/174407944.db2.gz MMNDAAZNUQMBIX-UHFFFAOYSA-N -1 3 265.700 2.415 10 0 CEAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C(C)C ZINC000042592372 174812477 /nfs/dbraw/zinc/81/24/77/174812477.db2.gz ZJFHOOKIGPXZSW-SNVBAGLBSA-N -1 3 276.789 2.448 10 0 CEAEHM C[C@H](Oc1ccc(CNC2CC2)cc1Cl)C(=O)[O-] ZINC000043625770 175082110 /nfs/dbraw/zinc/08/21/10/175082110.db2.gz PQHJFEDOCAXCMH-QMMMGPOBSA-N -1 3 269.728 2.444 10 0 CEAEHM CCN(CCOC)Cc1ccc(/C=C/C(=O)[O-])s1 ZINC000043684713 175092999 /nfs/dbraw/zinc/09/29/99/175092999.db2.gz CYPHTXOYECBXSV-VOTSOKGWSA-N -1 3 269.366 2.314 10 0 CEAEHM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1Cl)N(C)C ZINC000045111633 175310371 /nfs/dbraw/zinc/31/03/71/175310371.db2.gz FJZVPSKZFDEFGS-QMMMGPOBSA-N -1 3 299.758 2.110 10 0 CEAEHM CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392068 176148847 /nfs/dbraw/zinc/14/88/47/176148847.db2.gz OBOIORAHSUWQRN-RDDDGLTNSA-N -1 3 284.743 2.350 10 0 CEAEHM COC(=O)c1cc(-c2nnn[n-]2)cc(-c2ccccc2)c1 ZINC000090513218 277149215 /nfs/dbraw/zinc/14/92/15/277149215.db2.gz CPVYPRLOUDRJOQ-UHFFFAOYSA-N -1 3 280.287 2.320 10 0 CEAEHM COC(=O)c1cc(-c2nn[n-]n2)cc(-c2ccccc2)c1 ZINC000090513218 277149216 /nfs/dbraw/zinc/14/92/16/277149216.db2.gz CPVYPRLOUDRJOQ-UHFFFAOYSA-N -1 3 280.287 2.320 10 0 CEAEHM Cc1cc(Br)c([O-])c(-n2cnnc2)c1 ZINC000226281275 280306616 /nfs/dbraw/zinc/30/66/16/280306616.db2.gz AACRQHDVQKOGHB-UHFFFAOYSA-N -1 3 254.087 2.044 10 0 CEAEHM Cc1cc(C(=O)N2CC[C@@H](C3CCCC3)C2)[n-]c(=O)n1 ZINC000333780432 280333984 /nfs/dbraw/zinc/33/39/84/280333984.db2.gz UHXQMQMBQCWQGR-GFCCVEGCSA-N -1 3 275.352 2.143 10 0 CEAEHM C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([O-])cc2)CC1 ZINC000253134801 280451655 /nfs/dbraw/zinc/45/16/55/280451655.db2.gz QVMMZVMDFGJORN-XYPYZODXSA-N -1 3 269.366 2.249 10 0 CEAEHM Cc1cccc(-c2cc(=O)[n-]c(N3CCCC3)n2)c1 ZINC000057330799 281185964 /nfs/dbraw/zinc/18/59/64/281185964.db2.gz RRBCILGXSWBLGR-UHFFFAOYSA-N -1 3 255.321 2.346 10 0 CEAEHM COC(=O)[C@]([O-])(C=C(O)c1ccc(C)cc1)C(F)(F)F ZINC000536957755 330383614 /nfs/dbraw/zinc/38/36/14/330383614.db2.gz DIZLBODYSKWRSN-GFCCVEGCSA-N -1 3 290.237 2.034 10 0 CEAEHM CCC[C@@H]1CC[C@H](C(=O)[O-])[C@H](N2CCOC[C@@H]2C)C1 ZINC000062752006 520829770 /nfs/dbraw/zinc/82/97/70/520829770.db2.gz BTNRMINMKJWYRH-RFQIPJPRSA-N -1 3 269.385 2.377 10 0 CEAEHM CCN(C(=O)Nc1cccc(CNC)c1)C(C)(C)C(=O)[O-] ZINC000061174496 519999423 /nfs/dbraw/zinc/99/94/23/519999423.db2.gz DOQRFNVJRZCKIV-UHFFFAOYSA-N -1 3 293.367 2.123 10 0 CEAEHM CCCCC[C@@H](C)NC(=O)CN(CC)C[C@@H](C)C(=O)[O-] ZINC000061218408 520279380 /nfs/dbraw/zinc/27/93/80/520279380.db2.gz BJPBBIIFUQGXQR-CHWSQXEVSA-N -1 3 286.416 2.114 10 0 CEAEHM CCN(CC(=O)N(CC)C1CCCCC1)C[C@@H](C)C(=O)[O-] ZINC000061221250 520307276 /nfs/dbraw/zinc/30/72/76/520307276.db2.gz VVXFDBZMJLYHKD-CYBMUJFWSA-N -1 3 298.427 2.210 10 0 CEAEHM CCN(CC(=O)NC1CCCCCC1)[C@@H](C)CC(=O)[O-] ZINC000061182335 520329358 /nfs/dbraw/zinc/32/93/58/520329358.db2.gz VOFPSRVCQOWNCM-LBPRGKRZSA-N -1 3 284.400 2.011 10 0 CEAEHM CCN(CC(=O)NC1CCCCCC1)[C@H](C)CC(=O)[O-] ZINC000061182336 520330526 /nfs/dbraw/zinc/33/05/26/520330526.db2.gz VOFPSRVCQOWNCM-GFCCVEGCSA-N -1 3 284.400 2.011 10 0 CEAEHM CCN(CC(=O)Nc1ccccc1C)[C@H](C)CC(=O)[O-] ZINC000061183234 520368471 /nfs/dbraw/zinc/36/84/71/520368471.db2.gz RCCVYHHSUPISIB-GFCCVEGCSA-N -1 3 278.352 2.119 10 0 CEAEHM CCCN(CCN(C)C)c1ccccc1C(=O)[O-] ZINC000045696406 521658657 /nfs/dbraw/zinc/65/86/57/521658657.db2.gz LFWLLMYSRWSKGG-UHFFFAOYSA-N -1 3 250.342 2.163 10 0 CEAEHM CC[C@@H](CC(=O)[O-])N1CCN(c2ccccc2F)CC1 ZINC000062756389 522483335 /nfs/dbraw/zinc/48/33/35/522483335.db2.gz LMADHDBEFYETHH-LBPRGKRZSA-N -1 3 280.343 2.201 10 0 CEAEHM CCn1c(=O)[n-]nc1Sc1cccc(F)c1[C@@H](C)NC ZINC000061595863 523096394 /nfs/dbraw/zinc/09/63/94/523096394.db2.gz NFWZIMKONNNADR-MRVPVSSYSA-N -1 3 296.371 2.162 10 0 CEAEHM COc1ccc(C(=O)NCc2ccc(C)o2)c([O-])c1 ZINC000053039967 523713269 /nfs/dbraw/zinc/71/32/69/523713269.db2.gz QDZGRVYYJKMHLK-UHFFFAOYSA-N -1 3 261.277 2.232 10 0 CEAEHM CC[C@H](C)C[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000054466529 523884808 /nfs/dbraw/zinc/88/48/08/523884808.db2.gz YWWSBLCUHFZONK-ZETCQYMHSA-N -1 3 294.779 2.386 10 0 CEAEHM C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc([O-])c1 ZINC000182554354 526186473 /nfs/dbraw/zinc/18/64/73/526186473.db2.gz JIQGKFBHKJOFCB-SNVBAGLBSA-N -1 3 279.336 2.194 10 0 CEAEHM O=C([O-])c1nc(NCCN2CCCCC2)ccc1Cl ZINC000049575634 526408398 /nfs/dbraw/zinc/40/83/98/526408398.db2.gz PVVIZXSQVVPDGH-UHFFFAOYSA-N -1 3 283.759 2.331 10 0 CEAEHM Cc1oc(C(=O)[O-])cc1CN1CCN(CC(C)C)CC1 ZINC000055079925 526761333 /nfs/dbraw/zinc/76/13/33/526761333.db2.gz OSHGBFYBJKQWDV-UHFFFAOYSA-N -1 3 280.368 2.060 10 0 CEAEHM O=C(c1cccc([O-])c1)N1CCO[C@@H](c2nccs2)C1 ZINC000182418047 526769470 /nfs/dbraw/zinc/76/94/70/526769470.db2.gz IAYNULKQDNCNAH-GFCCVEGCSA-N -1 3 290.344 2.062 10 0 CEAEHM CC(C)N(C)[C@@H]1CCCCn2nc(C(=O)[O-])cc21 ZINC000725272359 567925157 /nfs/dbraw/zinc/92/51/57/567925157.db2.gz CBUPRDWMKMYUBJ-LLVKDONJSA-N -1 3 251.330 2.147 10 0 CEAEHM CCc1cccc(C)c1NC(=O)c1cnc(C)[n-]c1=O ZINC000082323538 177964840 /nfs/dbraw/zinc/96/48/40/177964840.db2.gz MTLDLYLZKMJWHW-UHFFFAOYSA-N -1 3 271.320 2.201 10 0 CEAEHM Cc1ncc(C(=O)Nc2ccccc2C(F)(F)F)c(=O)[n-]1 ZINC000082332720 177966784 /nfs/dbraw/zinc/96/67/84/177966784.db2.gz MYLANDLCOZLWPF-UHFFFAOYSA-N -1 3 297.236 2.349 10 0 CEAEHM C[C@@H](C(=O)[O-])N(Cc1cncc(Cl)c1)C1CC1 ZINC000621774173 349697020 /nfs/dbraw/zinc/69/70/20/349697020.db2.gz MGPHEGWKVQXHAJ-QMMMGPOBSA-N -1 3 254.717 2.173 10 0 CEAEHM CCN1CCC[C@H](NC(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000048482421 362276005 /nfs/dbraw/zinc/27/60/05/362276005.db2.gz SMFIUTSTTHFEPY-NSHDSACASA-N -1 3 282.771 2.260 10 0 CEAEHM COC(=O)c1[n-]c(=O)c2ccccc2c1Br ZINC000143256695 344405300 /nfs/dbraw/zinc/40/53/00/344405300.db2.gz MKONDWCQISHYNV-UHFFFAOYSA-N -1 3 282.093 2.077 10 0 CEAEHM N#C[N-]C(=O)c1cccc(Br)c1Cl ZINC000160407586 344459136 /nfs/dbraw/zinc/45/91/36/344459136.db2.gz IKJDQXDRGVVKAL-UHFFFAOYSA-N -1 3 259.490 2.313 10 0 CEAEHM [O-]c1cnc(OC(F)(F)F)c(Br)c1 ZINC000238669963 344607680 /nfs/dbraw/zinc/60/76/80/344607680.db2.gz LDYVONTYASTASK-UHFFFAOYSA-N -1 3 257.993 2.448 10 0 CEAEHM CC(C)(C)[C@@H](O)CN1CCc2c(cccc2C(=O)[O-])C1 ZINC000312482719 344738823 /nfs/dbraw/zinc/73/88/23/344738823.db2.gz WWYAIGVFSSIUOM-AWEZNQCLSA-N -1 3 277.364 2.150 10 0 CEAEHM COc1ccc(OC)c(I)c1[O-] ZINC000306601470 344715229 /nfs/dbraw/zinc/71/52/29/344715229.db2.gz UTNBIEAFISPDCF-UHFFFAOYSA-N -1 3 280.061 2.014 10 0 CEAEHM CC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([O-])cc2)[C@@H]1C ZINC000086101700 179230498 /nfs/dbraw/zinc/23/04/98/179230498.db2.gz YKRGGRWYLPKECT-UHIISALHSA-N -1 3 283.393 2.495 10 0 CEAEHM COc1cc(CN2CCC[C@@H](CC(=O)[O-])C2)ccc1O ZINC000086756831 179323819 /nfs/dbraw/zinc/32/38/19/179323819.db2.gz ATXHIJSVBJBCLK-NSHDSACASA-N -1 3 279.336 2.088 10 0 CEAEHM C[C@@H](N[C@H](C(=O)[O-])C1CC1)c1nc2ccccc2n1C ZINC000086758609 179323863 /nfs/dbraw/zinc/32/38/63/179323863.db2.gz AIZCBHCMTHTDOS-RNCFNFMXSA-N -1 3 273.336 2.087 10 0 CEAEHM CCN(Cc1ccc(OC)cc1OC)C[C@@H](C)C(=O)[O-] ZINC000086761654 179324861 /nfs/dbraw/zinc/32/48/61/179324861.db2.gz ABOSIIVHZBSZPG-LLVKDONJSA-N -1 3 281.352 2.246 10 0 CEAEHM C[C@H](c1nc2ccccc2n1C)N(C)CCCC(=O)[O-] ZINC000086802257 179336962 /nfs/dbraw/zinc/33/69/62/179336962.db2.gz UDGJLHIPDROGEJ-LLVKDONJSA-N -1 3 275.352 2.431 10 0 CEAEHM CC(C)(C)N1CC[C@@H](c2nnn[n-]2)c2ccccc21 ZINC000616586881 348526688 /nfs/dbraw/zinc/52/66/88/348526688.db2.gz MGUWDHNJBRGQAI-LLVKDONJSA-N -1 3 257.341 2.340 10 0 CEAEHM CC(C)(C)N1CC[C@@H](c2nn[n-]n2)c2ccccc21 ZINC000616586881 348526692 /nfs/dbraw/zinc/52/66/92/348526692.db2.gz MGUWDHNJBRGQAI-LLVKDONJSA-N -1 3 257.341 2.340 10 0 CEAEHM CC(C)(C)OC(=O)N1CCc2c([O-])c(C=O)ccc2C1 ZINC000669372160 539752922 /nfs/dbraw/zinc/75/29/22/539752922.db2.gz KAAJBUWFKPWQNZ-UHFFFAOYSA-N -1 3 277.320 2.498 10 0 CEAEHM COCc1ccccc1CN1CCSC[C@H]1CC(=O)[O-] ZINC000091133019 180101744 /nfs/dbraw/zinc/10/17/44/180101744.db2.gz QPKZXDIWMPSTAO-CQSZACIVSA-N -1 3 295.404 2.225 10 0 CEAEHM Cc1nc(C)c([C@H](C)Nc2cccnc2C)c(=O)[n-]1 ZINC000091495860 180171307 /nfs/dbraw/zinc/17/13/07/180171307.db2.gz SCKUKOPAKLLADY-JTQLQIEISA-N -1 3 258.325 2.263 10 0 CEAEHM Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000091996756 180302821 /nfs/dbraw/zinc/30/28/21/180302821.db2.gz GLGQMZIHTIRFRF-GFCCVEGCSA-N -1 3 278.352 2.172 10 0 CEAEHM Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000091996756 180302822 /nfs/dbraw/zinc/30/28/22/180302822.db2.gz GLGQMZIHTIRFRF-GFCCVEGCSA-N -1 3 278.352 2.172 10 0 CEAEHM Nc1cccc(-c2nc3c(c(=O)[n-]2)CCCCC3)c1 ZINC000109522947 186259458 /nfs/dbraw/zinc/25/94/58/186259458.db2.gz QPMVOMBNWPPEMV-UHFFFAOYSA-N -1 3 255.321 2.288 10 0 CEAEHM CN1CCCC[C@@H]1CNc1nc(Cl)ccc1C(=O)[O-] ZINC000109599433 186265802 /nfs/dbraw/zinc/26/58/02/186265802.db2.gz IMWDYCAXJVEBPV-SECBINFHSA-N -1 3 283.759 2.329 10 0 CEAEHM CCc1c(N)nc(-c2ccc(Br)cc2)[n-]c1=O ZINC000110472667 186298085 /nfs/dbraw/zinc/29/80/85/186298085.db2.gz RGNJFSRAZYHKHN-UHFFFAOYSA-N -1 3 294.152 2.344 10 0 CEAEHM CC(C)c1c(N)nc(Cc2ccc(F)cc2)[n-]c1=O ZINC000110473034 186298261 /nfs/dbraw/zinc/29/82/61/186298261.db2.gz GWLFSPZOOZOAAW-UHFFFAOYSA-N -1 3 261.300 2.205 10 0 CEAEHM Cc1cccc(Cc2nc([O-])c(C(C)C)c(=O)[nH]2)c1 ZINC000110620339 186305338 /nfs/dbraw/zinc/30/53/38/186305338.db2.gz VJOPUMSDCYZAFQ-UHFFFAOYSA-N -1 3 258.321 2.498 10 0 CEAEHM CCN(CC)CCN[C@H](C(=O)[O-])c1cccc(F)c1F ZINC000111040544 186346407 /nfs/dbraw/zinc/34/64/07/186346407.db2.gz GZTRHUYFFZTEHC-ZDUSSCGKSA-N -1 3 286.322 2.022 10 0 CEAEHM CCN(CC)CCN[C@@H](C(=O)[O-])c1cccc(F)c1F ZINC000111040546 186347291 /nfs/dbraw/zinc/34/72/91/186347291.db2.gz GZTRHUYFFZTEHC-CYBMUJFWSA-N -1 3 286.322 2.022 10 0 CEAEHM O=C(CSc1ccncn1)c1cc(F)ccc1[O-] ZINC000111114889 186353434 /nfs/dbraw/zinc/35/34/34/186353434.db2.gz IGGFEHAFNATQJO-UHFFFAOYSA-N -1 3 264.281 2.296 10 0 CEAEHM CCC[C@H](N)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278398 186386684 /nfs/dbraw/zinc/38/66/84/186386684.db2.gz JEDWHHOYRACJKN-QMMMGPOBSA-N -1 3 270.716 2.104 10 0 CEAEHM C[C@@H](NCc1nc(=O)[n-][nH]1)c1ccc(C(C)(C)C)cc1 ZINC000271749502 191305041 /nfs/dbraw/zinc/30/50/41/191305041.db2.gz KJOBEFOQMJWGIT-SNVBAGLBSA-N -1 3 274.368 2.246 10 0 CEAEHM O=C1[N-]c2c(ccc(Br)c2Cl)C1=O ZINC000575478469 366291840 /nfs/dbraw/zinc/29/18/40/366291840.db2.gz AGADFKZYZROJKG-UHFFFAOYSA-N -1 3 260.474 2.237 10 0 CEAEHM COC(=O)Cc1cc([O-])cc(C(F)(F)F)c1F ZINC000575713878 366340213 /nfs/dbraw/zinc/34/02/13/366340213.db2.gz JBAADNRYWCIHAT-UHFFFAOYSA-N -1 3 252.163 2.266 10 0 CEAEHM CCOC(=O)Cc1cc(C(F)(F)F)c([O-])cc1N ZINC000575725570 366347490 /nfs/dbraw/zinc/34/74/90/366347490.db2.gz RTYHEMUVWSYEAE-UHFFFAOYSA-N -1 3 263.215 2.099 10 0 CEAEHM CCOC(=O)Cc1c(N)ccc(C(F)(F)F)c1[O-] ZINC000575725698 366349004 /nfs/dbraw/zinc/34/90/04/366349004.db2.gz USPQPLVPCHIWOI-UHFFFAOYSA-N -1 3 263.215 2.099 10 0 CEAEHM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1cscc1Br ZINC000632629321 367859781 /nfs/dbraw/zinc/85/97/81/367859781.db2.gz PUYZMYLZBMKGRX-FSPLSTOPSA-N -1 3 296.211 2.197 10 0 CEAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)C(C)C ZINC000186021977 368906339 /nfs/dbraw/zinc/90/63/39/368906339.db2.gz CKFZQUCLQNPPGZ-SNVBAGLBSA-N -1 3 259.346 2.457 10 0 CEAEHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@H](C2CC2)C1 ZINC000333402825 205291333 /nfs/dbraw/zinc/29/13/33/205291333.db2.gz FXEGBRBJUNHILV-LBPRGKRZSA-N -1 3 281.377 2.203 10 0 CEAEHM Cc1ccc([O-])c(C[NH2+]CC2CCC(C(=O)[O-])CC2)n1 ZINC000093432190 184674991 /nfs/dbraw/zinc/67/49/91/184674991.db2.gz KTNKKUPTGCPPRQ-UHFFFAOYSA-N -1 3 278.352 2.076 10 0 CEAEHM CN1CCC(Nc2ccc(C(=O)[O-])c(F)c2F)CC1 ZINC000094270973 184773757 /nfs/dbraw/zinc/77/37/57/184773757.db2.gz MXHNJOOWUBBJDV-UHFFFAOYSA-N -1 3 270.279 2.169 10 0 CEAEHM Cc1cc(F)c([C@](C)(NC[C@H]2CCCO2)C(=O)[O-])cc1F ZINC000094737620 184849467 /nfs/dbraw/zinc/84/94/67/184849467.db2.gz SAULVFNGNREBDL-BMIGLBTASA-N -1 3 299.317 2.342 10 0 CEAEHM Cc1cc(OCCN2CCCCC2)cc(C(=O)[O-])c1N ZINC000094696272 184841616 /nfs/dbraw/zinc/84/16/16/184841616.db2.gz NBUKCJQUDYWDEK-UHFFFAOYSA-N -1 3 278.352 2.140 10 0 CEAEHM C[C@@H]1CC[C@@H](C)N(c2ccc3c(c2)[N-]C(=O)C3=O)C1 ZINC000088705196 135056539 /nfs/dbraw/zinc/05/65/39/135056539.db2.gz AVMWHKOGOWBNFS-NXEZZACHSA-N -1 3 258.321 2.446 10 0 CEAEHM C[C@@H](C(=O)[O-])[C@@H](C)N1CCN(c2ccccc2F)CC1 ZINC000093036508 135078473 /nfs/dbraw/zinc/07/84/73/135078473.db2.gz XKKNXQNTESHQPB-VXGBXAGGSA-N -1 3 280.343 2.057 10 0 CEAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000192624965 153217292 /nfs/dbraw/zinc/21/72/92/153217292.db2.gz CWUZZAPBSQIJHF-WOSRLPQWSA-N -1 3 291.395 2.179 10 0 CEAEHM CCOC(=O)c1ccc([N-]S(=O)(=O)CC(C)C)cc1 ZINC000005582408 170115841 /nfs/dbraw/zinc/11/58/41/170115841.db2.gz SKQYPHACOZNNGY-UHFFFAOYSA-N -1 3 285.365 2.261 10 0 CEAEHM C[C@H]1Cc2c([n-]c(=O)n(-c3ccccc3)c2=S)O1 ZINC000006481647 170204923 /nfs/dbraw/zinc/20/49/23/170204923.db2.gz OQNZFZIQKMFYQB-QMMMGPOBSA-N -1 3 260.318 2.218 10 0 CEAEHM CCC(CC)[N-]S(=O)(=O)c1cc(N)c(F)cc1F ZINC000020548826 171245880 /nfs/dbraw/zinc/24/58/80/171245880.db2.gz NBKPVDDJRBZZNY-UHFFFAOYSA-N -1 3 278.324 2.014 10 0 CEAEHM C[C@@H](NS(=O)(=O)c1ccc([O-])cc1)c1ccco1 ZINC000035739774 172394211 /nfs/dbraw/zinc/39/42/11/172394211.db2.gz GBJXURCLZNHADC-SECBINFHSA-N -1 3 267.306 2.025 10 0 CEAEHM C[C@@](NC1CC1)(C(=O)[O-])c1ccccc1OC(F)F ZINC000037183355 173015968 /nfs/dbraw/zinc/01/59/68/173015968.db2.gz YBCANFLUAUKTME-ZDUSSCGKSA-N -1 3 271.263 2.340 10 0 CEAEHM CN(c1ccc(F)cc1C(=O)[O-])C1CCN(C)CC1 ZINC000037233890 173053503 /nfs/dbraw/zinc/05/35/03/173053503.db2.gz JRTSAGLJVBGTKG-UHFFFAOYSA-N -1 3 266.316 2.054 10 0 CEAEHM O=c1nc(CNCCc2cccs2)[n-]c2ccsc21 ZINC000037328628 173129180 /nfs/dbraw/zinc/12/91/80/173129180.db2.gz TZOAJJVFMZLRMT-UHFFFAOYSA-N -1 3 291.401 2.378 10 0 CEAEHM CC[C@H](C)N(CC)CC(=O)c1ccc([O-])cc1O ZINC000037336488 173137524 /nfs/dbraw/zinc/13/75/24/173137524.db2.gz VACIHYHFVQRSKV-JTQLQIEISA-N -1 3 251.326 2.401 10 0 CEAEHM CCN(CC)[C@@H](C(=O)[O-])c1cccc(OC)c1OC ZINC000037361381 173151252 /nfs/dbraw/zinc/15/12/52/173151252.db2.gz IQJXTSJCQLYNLR-GFCCVEGCSA-N -1 3 267.325 2.171 10 0 CEAEHM COc1ccc2[n-]cc(C(=O)Nc3ccncc3)c(=O)c2c1 ZINC000039962749 174179799 /nfs/dbraw/zinc/17/97/99/174179799.db2.gz QPUADGOCPBAWQE-UHFFFAOYSA-N -1 3 295.298 2.184 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484598 174287888 /nfs/dbraw/zinc/28/78/88/174287888.db2.gz ZJWIRPIXFWVBCA-RNCFNFMXSA-N -1 3 298.770 2.131 10 0 CEAEHM CC(C)N(CCCC(=O)[O-])C(=O)C[C@@H](N)c1ccccc1 ZINC000040485423 174288404 /nfs/dbraw/zinc/28/84/04/174288404.db2.gz BIPGVLSDEVKFDR-CQSZACIVSA-N -1 3 292.379 2.178 10 0 CEAEHM Cc1cc(C)c(C(N)=O)c(Oc2ccccc2[O-])n1 ZINC000040515932 174306939 /nfs/dbraw/zinc/30/69/39/174306939.db2.gz ZAQODDXHFBYUKQ-UHFFFAOYSA-N -1 3 258.277 2.295 10 0 CEAEHM Cc1ccc(Nc2nc[n-]c(=O)c2N)cc1Cl ZINC000040703815 174379152 /nfs/dbraw/zinc/37/91/52/174379152.db2.gz AWGFVFLXRVOXAF-UHFFFAOYSA-N -1 3 250.689 2.058 10 0 CEAEHM CCN1CCC(N(C)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000042680274 174835106 /nfs/dbraw/zinc/83/51/06/174835106.db2.gz GNPIIGMYSAKMKP-UHFFFAOYSA-N -1 3 280.343 2.444 10 0 CEAEHM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(CN)c1 ZINC000043321552 175006145 /nfs/dbraw/zinc/00/61/45/175006145.db2.gz LSOGUIVQZQXNPB-UHFFFAOYSA-N -1 3 294.351 2.394 10 0 CEAEHM O=C(c1ccc([O-])cc1)N(CCO)C1CCCCC1 ZINC000044414848 175172901 /nfs/dbraw/zinc/17/29/01/175172901.db2.gz BQMHKVGYHCRJOQ-UHFFFAOYSA-N -1 3 263.337 2.159 10 0 CEAEHM C[C@H](N[C@@H](C)c1cccc(Br)c1)c1nn[n-]n1 ZINC000044922944 175276996 /nfs/dbraw/zinc/27/69/96/175276996.db2.gz QDORACPCXWDJNN-YUMQZZPRSA-N -1 3 296.172 2.374 10 0 CEAEHM COc1ccc2cc([C@H](C)NCc3nn[n-]n3)ccc2c1 ZINC000044928062 175278455 /nfs/dbraw/zinc/27/84/55/175278455.db2.gz VQRHFUVAIDWVQD-JTQLQIEISA-N -1 3 283.335 2.212 10 0 CEAEHM C[C@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)N(C)C ZINC000045112119 175310421 /nfs/dbraw/zinc/31/04/21/175310421.db2.gz PNXLJAWLTKWXJC-MRVPVSSYSA-N -1 3 299.758 2.110 10 0 CEAEHM O=C([O-])CCN(C[C@H]1OCCc2ccccc21)C1CC1 ZINC000071092015 176031848 /nfs/dbraw/zinc/03/18/48/176031848.db2.gz JSKZETBVJYBQHA-OAHLLOKOSA-N -1 3 275.348 2.240 10 0 CEAEHM C[C@@H]([N-]S(=O)(=O)c1cnccc1Cl)c1ccncc1 ZINC000071203576 176078493 /nfs/dbraw/zinc/07/84/93/176078493.db2.gz OLJSMQYONFAMRJ-SECBINFHSA-N -1 3 297.767 2.170 10 0 CEAEHM C[C@@H]([N-]S(=O)(=O)c1cnccc1Cl)c1ccco1 ZINC000071203591 176078892 /nfs/dbraw/zinc/07/88/92/176078892.db2.gz KUQUNBOTEDSTJZ-MRVPVSSYSA-N -1 3 286.740 2.368 10 0 CEAEHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnccc1Cl ZINC000071204794 176079138 /nfs/dbraw/zinc/07/91/38/176079138.db2.gz IKQDZQHTPWHTCB-WPRPVWTQSA-N -1 3 274.773 2.202 10 0 CEAEHM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cnccc1Cl ZINC000071204506 176079283 /nfs/dbraw/zinc/07/92/83/176079283.db2.gz VQOGQYBHNDNFGJ-RKDXNWHRSA-N -1 3 276.789 2.448 10 0 CEAEHM CC(C)c1ccccc1[N-]S(=O)(=O)c1c[nH]ccc1=O ZINC000071221235 176087125 /nfs/dbraw/zinc/08/71/25/176087125.db2.gz KQYHOTFYRHYCJI-UHFFFAOYSA-N -1 3 292.360 2.299 10 0 CEAEHM CCCS(=O)(=O)[N-]c1cc(CC)ccc1OC ZINC000074983749 176646387 /nfs/dbraw/zinc/64/63/87/176646387.db2.gz OJVHXIGQRMICJN-UHFFFAOYSA-N -1 3 257.355 2.409 10 0 CEAEHM COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC000078002904 177316309 /nfs/dbraw/zinc/31/63/09/177316309.db2.gz IDAJMBWKGHPXCM-OPQQBVKSSA-N -1 3 261.321 2.319 10 0 CEAEHM CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc([O-])cc1 ZINC000069235130 519682240 /nfs/dbraw/zinc/68/22/40/519682240.db2.gz RUDXIZHBSWIGPL-LLVKDONJSA-N -1 3 271.382 2.495 10 0 CEAEHM CC(C)CN1CCN(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000055080503 519729137 /nfs/dbraw/zinc/72/91/37/519729137.db2.gz QKCWHNCQQMSUSJ-UHFFFAOYSA-N -1 3 283.445 2.300 10 0 CEAEHM CC(C)[C@H](CN(C)C)NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000049196674 519814023 /nfs/dbraw/zinc/81/40/23/519814023.db2.gz DXUJXPPOSLMKRQ-ZDUSSCGKSA-N -1 3 298.427 2.114 10 0 CEAEHM CCN[C@](COC1CCC1)(C(=O)[O-])c1ccccc1 ZINC000050521500 520249442 /nfs/dbraw/zinc/24/94/42/520249442.db2.gz RMVJYZBUYLGBDR-HNNXBMFYSA-N -1 3 263.337 2.145 10 0 CEAEHM CCN(CCOc1ccccc1C(C)=O)C[C@H](C)C(=O)[O-] ZINC000061218907 521153244 /nfs/dbraw/zinc/15/32/44/521153244.db2.gz KEOPGRYZNIRCMR-LBPRGKRZSA-N -1 3 293.363 2.311 10 0 CEAEHM CCN(Cc1cn2cc(C)ccc2n1)C[C@H](C)C(=O)[O-] ZINC000061219699 521429940 /nfs/dbraw/zinc/42/99/40/521429940.db2.gz NKCARCVXLMMBRZ-LBPRGKRZSA-N -1 3 275.352 2.185 10 0 CEAEHM CCCn1c(=S)[n-]nc1N1CCN(CC(C)C)CC1 ZINC000055080494 521619612 /nfs/dbraw/zinc/61/96/12/521619612.db2.gz SDKLSSDBUINLJA-UHFFFAOYSA-N -1 3 283.445 2.129 10 0 CEAEHM CC[C@H](C)N1CCN(Cc2cc(C(=O)[O-])oc2C)CC1 ZINC000055067853 523955628 /nfs/dbraw/zinc/95/56/28/523955628.db2.gz REUGBIOCNJSAPS-NSHDSACASA-N -1 3 280.368 2.202 10 0 CEAEHM CCc1ccc(OC[C@@H](N)C(=O)[O-])c(C(C)(C)C)c1 ZINC000045507682 524007338 /nfs/dbraw/zinc/00/73/38/524007338.db2.gz NUNYMFKGZLHKPH-GFCCVEGCSA-N -1 3 265.353 2.337 10 0 CEAEHM COc1ccc(Cc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000048771255 524164167 /nfs/dbraw/zinc/16/41/67/524164167.db2.gz XKMROPUFWMEAEC-UHFFFAOYSA-N -1 3 270.332 2.248 10 0 CEAEHM Cc1ccc([O-])c(C(=O)Nc2ccccc2CO)c1 ZINC000049361719 525337741 /nfs/dbraw/zinc/33/77/41/525337741.db2.gz REEZWBXRUSYXJX-UHFFFAOYSA-N -1 3 257.289 2.445 10 0 CEAEHM C[C@H](NCc1cc(=O)oc2cc([O-])ccc12)[C@H]1CCCO1 ZINC000183180172 525427946 /nfs/dbraw/zinc/42/79/46/525427946.db2.gz VHVKKIDSWVIJBT-IINYFYTJSA-N -1 3 289.331 2.156 10 0 CEAEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000052272065 525499510 /nfs/dbraw/zinc/49/95/10/525499510.db2.gz ILBJGNRFFXOEQU-MLUIRONXSA-N -1 3 295.191 2.262 10 0 CEAEHM Cc1ccc(C(=O)[O-])c(N(C)C2CCN(C)CC2)c1 ZINC000054532414 526231477 /nfs/dbraw/zinc/23/14/77/526231477.db2.gz JWIHFGHNAJZFSX-UHFFFAOYSA-N -1 3 262.353 2.224 10 0 CEAEHM N[C@](COc1cc(F)cc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000054933959 527420420 /nfs/dbraw/zinc/42/04/20/527420420.db2.gz YCQANLPOSSTTQH-HNNXBMFYSA-N -1 3 293.269 2.282 10 0 CEAEHM CN1C[C@H](C(=O)[O-])C=C2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000014583984 560222333 /nfs/dbraw/zinc/22/23/33/560222333.db2.gz ZAGRKAFMISFKIO-YGRLFVJLSA-N -1 3 268.316 2.122 10 0 in-vitro CEAEHM O=C1[N-]c2cc(Cl)c([N+](=O)[O-])c(Cl)c2C1=O ZINC000165818162 639440405 /nfs/dbraw/zinc/44/04/05/639440405.db2.gz NDUOVADZERUQNK-UHFFFAOYSA-N -1 3 261.020 2.036 10 0 CEAEHM Cc1ccc([N-]S(=O)(=O)C=Cc2ccccc2)nc1 ZINC000068300481 641398901 /nfs/dbraw/zinc/39/89/01/641398901.db2.gz YNOCZLLVNYCXBR-MDZDMXLPSA-N -1 3 274.345 2.225 10 0 CEAEHM CC[C@@H](Oc1ccc(Br)cc1CN)C(=O)[O-] ZINC000082757631 178278200 /nfs/dbraw/zinc/27/82/00/178278200.db2.gz CKHJUDAIINQSKN-SECBINFHSA-N -1 3 288.141 2.150 10 0 CEAEHM COc1ccc(Cc2c[nH]c(=S)[n-]c2=O)cc1OC ZINC000034220308 343419123 /nfs/dbraw/zinc/41/91/23/343419123.db2.gz PUBXGFYONWMLRW-UHFFFAOYSA-N -1 3 278.333 2.040 10 0 CEAEHM CN[C@@H](C(=O)[O-])c1ccc(C)cc1Br ZINC000129651110 344345610 /nfs/dbraw/zinc/34/56/10/344345610.db2.gz GUZZISJFGUIBII-SECBINFHSA-N -1 3 258.115 2.103 10 0 CEAEHM Cc1cc(NC(=O)[C@]2(C)CCCCN2)ccc1C(=O)[O-] ZINC000133391408 344368625 /nfs/dbraw/zinc/36/86/25/344368625.db2.gz MXTKKIQUXIKKEA-HNNXBMFYSA-N -1 3 276.336 2.164 10 0 CEAEHM CCOC(=O)Cc1cc([O-])ccc1Br ZINC000238258507 344605916 /nfs/dbraw/zinc/60/59/16/344605916.db2.gz BZKVFPIQABMCQM-UHFFFAOYSA-N -1 3 259.099 2.260 10 0 CEAEHM COC[C@H](C)NCc1ccc([O-])c(Br)c1 ZINC000057942678 362602716 /nfs/dbraw/zinc/60/27/16/362602716.db2.gz CBWJFYRMDKAIJD-QMMMGPOBSA-N -1 3 274.158 2.279 10 0 CEAEHM CCCCc1ccc(NC(=O)[C@@H](N)CCC(=O)[O-])cc1 ZINC000085818843 179181914 /nfs/dbraw/zinc/18/19/14/179181914.db2.gz SLVDXCFVXATAIK-ZDUSSCGKSA-N -1 3 278.352 2.160 10 0 CEAEHM CC[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1cccc(Cl)c1 ZINC000085819205 179181585 /nfs/dbraw/zinc/18/15/85/179181585.db2.gz DZRMQDFDOCRTHA-RYUDHWBXSA-N -1 3 298.770 2.099 10 0 CEAEHM CC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([O-])cc2)[C@@H]1C ZINC000086101698 179230292 /nfs/dbraw/zinc/23/02/92/179230292.db2.gz YKRGGRWYLPKECT-JTNHKYCSSA-N -1 3 283.393 2.495 10 0 CEAEHM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(O)cc2)C1 ZINC000086773084 179326018 /nfs/dbraw/zinc/32/60/18/179326018.db2.gz DULOHJWKYFNZHI-GFCCVEGCSA-N -1 3 289.253 2.231 10 0 CEAEHM O=c1cc(C2CC2)nc([C@H]2CSCCS2)[n-]1 ZINC000086981699 179373021 /nfs/dbraw/zinc/37/30/21/179373021.db2.gz NTTVTRAUIWFOIC-SECBINFHSA-N -1 3 254.380 2.168 10 0 CEAEHM CCC[C@@H]1CCC[C@@H](N2CCNC(=O)[C@@H]2CC(=O)[O-])CC1 ZINC000086953866 179368816 /nfs/dbraw/zinc/36/88/16/179368816.db2.gz KXAWEWNCPSFDJV-MCIONIFRSA-N -1 3 296.411 2.011 10 0 CEAEHM C[C@@H]1CCC[C@](O)(CNC(=O)c2cccc([O-])c2)C1 ZINC000087071501 179391761 /nfs/dbraw/zinc/39/17/61/179391761.db2.gz SRKUZCOXPPFINF-IAQYHMDHSA-N -1 3 263.337 2.063 10 0 CEAEHM COc1ccc([O-])c(C(=O)NC[C@]2(O)CCC[C@H](C)C2)c1 ZINC000087074145 179391964 /nfs/dbraw/zinc/39/19/64/179391964.db2.gz ZURSARYHVBCJLD-ZBEGNZNMSA-N -1 3 293.363 2.072 10 0 CEAEHM Cc1nn(C)cc1[C@@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000087410967 179422248 /nfs/dbraw/zinc/42/22/48/179422248.db2.gz FUZPPDLSIWHLCG-GFCCVEGCSA-N -1 3 279.384 2.366 10 0 CEAEHM CCOC(=O)c1c([O-])[nH]c(-c2cccc(F)c2)cc1=O ZINC000616591771 348527544 /nfs/dbraw/zinc/52/75/44/348527544.db2.gz RKLZRZNRDYDNFP-UHFFFAOYSA-N -1 3 277.251 2.476 10 0 CEAEHM CCOC(=O)c1c([O-])cc(-c2cccs2)[nH]c1=O ZINC000616591564 348527596 /nfs/dbraw/zinc/52/75/96/348527596.db2.gz NNGQGMUSLLOJRC-UHFFFAOYSA-N -1 3 265.290 2.398 10 0 CEAEHM CCOC(=O)c1c([O-])[nH]c(-c2cccs2)cc1=O ZINC000616591564 348527601 /nfs/dbraw/zinc/52/76/01/348527601.db2.gz NNGQGMUSLLOJRC-UHFFFAOYSA-N -1 3 265.290 2.398 10 0 CEAEHM O=C([O-])[C@H]1CCCC[C@@H]1CNCc1cscn1 ZINC000089439408 179789484 /nfs/dbraw/zinc/78/94/84/179789484.db2.gz XZLSEPDKOWCZGE-KOLCDFICSA-N -1 3 254.355 2.124 10 0 CEAEHM CCOC(=O)c1nnc(-c2ccc3c(c2)CCCN3)[n-]1 ZINC000090711335 180028787 /nfs/dbraw/zinc/02/87/87/180028787.db2.gz IIIPQHGNXGXUTR-UHFFFAOYSA-N -1 3 272.308 2.007 10 0 CEAEHM CCOC(=O)c1nc(-c2ccc3c(c2)CCCN3)n[n-]1 ZINC000090711335 180028788 /nfs/dbraw/zinc/02/87/88/180028788.db2.gz IIIPQHGNXGXUTR-UHFFFAOYSA-N -1 3 272.308 2.007 10 0 CEAEHM C[C@@H](c1ccc(O)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133543 180101905 /nfs/dbraw/zinc/10/19/05/180101905.db2.gz GRAXSGFTNLWNAA-JQWIXIFHSA-N -1 3 281.377 2.345 10 0 CEAEHM O=C([O-])C[C@@H](c1cncn1C1CC1)N1CCCCC1 ZINC000091277767 180119628 /nfs/dbraw/zinc/11/96/28/180119628.db2.gz HQVUNSJHRJAICE-LBPRGKRZSA-N -1 3 263.341 2.220 10 0 CEAEHM Nc1ccc2c(c1)CN(C(=O)c1ccc([O-])cc1)C2 ZINC000091501385 180174642 /nfs/dbraw/zinc/17/46/42/180174642.db2.gz SSYPKVGZVJBQLF-UHFFFAOYSA-N -1 3 254.289 2.130 10 0 CEAEHM COCCN([C@@H](C)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000091781352 180253983 /nfs/dbraw/zinc/25/39/83/180253983.db2.gz NLYTXPYPZKGICM-VIFPVBQESA-N -1 3 253.298 2.150 10 0 CEAEHM CCOC(=O)c1nnc([C@@H]2Cc3ccccc3S2)[n-]1 ZINC000092235075 180349199 /nfs/dbraw/zinc/34/91/99/180349199.db2.gz AUZWTPVGLRVPLY-JTQLQIEISA-N -1 3 275.333 2.371 10 0 CEAEHM Cc1cc([N-]S(=O)(=O)c2cccc([C@H](C)O)c2)ccn1 ZINC000092365803 180368861 /nfs/dbraw/zinc/36/88/61/180368861.db2.gz PUGWTFBIXVVMAQ-NSHDSACASA-N -1 3 292.360 2.244 10 0 CEAEHM CC(C)(C)NCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000092460916 180389839 /nfs/dbraw/zinc/38/98/39/180389839.db2.gz DSCFLYLIQPMMBB-UHFFFAOYSA-N -1 3 284.743 2.365 10 0 CEAEHM CN1CCCC[C@H]1CNc1nc(Cl)ccc1C(=O)[O-] ZINC000109599437 186265789 /nfs/dbraw/zinc/26/57/89/186265789.db2.gz IMWDYCAXJVEBPV-VIFPVBQESA-N -1 3 283.759 2.329 10 0 CEAEHM CCOC(=O)c1nc(C2(c3ccccc3)CC2)n[n-]1 ZINC000109605794 186267618 /nfs/dbraw/zinc/26/76/18/186267618.db2.gz SGALSECWTQUCGU-UHFFFAOYSA-N -1 3 257.293 2.061 10 0 CEAEHM CCOC(=O)c1nnc(C2(c3ccccc3)CC2)[n-]1 ZINC000109605794 186267619 /nfs/dbraw/zinc/26/76/19/186267619.db2.gz SGALSECWTQUCGU-UHFFFAOYSA-N -1 3 257.293 2.061 10 0 CEAEHM CCOC(=O)c1n[n-]c(C2(c3ccccc3)CC2)n1 ZINC000109605794 186267621 /nfs/dbraw/zinc/26/76/21/186267621.db2.gz SGALSECWTQUCGU-UHFFFAOYSA-N -1 3 257.293 2.061 10 0 CEAEHM COc1ccc(Cc2nc(N)c(C(C)C)c(=O)[n-]2)cc1 ZINC000110480467 186298925 /nfs/dbraw/zinc/29/89/25/186298925.db2.gz ZNVUZKJDXQEVDS-UHFFFAOYSA-N -1 3 273.336 2.075 10 0 CEAEHM CCc1nc(-c2cc(OC)cc(OC)c2)[n-]c(=O)c1C ZINC000110476426 186299303 /nfs/dbraw/zinc/29/93/03/186299303.db2.gz VAGJOKJSLRVUSW-UHFFFAOYSA-N -1 3 274.320 2.325 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000110988194 186339288 /nfs/dbraw/zinc/33/92/88/186339288.db2.gz IMPMCDXLOGTHSS-PELKAZGASA-N -1 3 264.325 2.005 10 0 CEAEHM Cc1cccc(N)c1S(=O)(=O)[N-]c1ccncc1C ZINC000111043120 186347433 /nfs/dbraw/zinc/34/74/33/186347433.db2.gz VBOSBLKLCHUQTO-UHFFFAOYSA-N -1 3 277.349 2.081 10 0 CEAEHM [O-]c1cc(O)c(OC(F)F)cc1Br ZINC000575681280 366327115 /nfs/dbraw/zinc/32/71/15/366327115.db2.gz ZDMWPBPRFBGBLT-UHFFFAOYSA-N -1 3 255.014 2.462 10 0 CEAEHM C[C@H]1CN(C(=O)c2cc([O-])ccc2F)CC(C)(C)O1 ZINC000294574833 199092095 /nfs/dbraw/zinc/09/20/95/199092095.db2.gz BENNFYHKQSIHOE-VIFPVBQESA-N -1 3 267.300 2.171 10 0 CEAEHM Cc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c([O-])c1 ZINC000179540759 189200913 /nfs/dbraw/zinc/20/09/13/189200913.db2.gz ZZUMJLPPNZOGNK-AWEZNQCLSA-N -1 3 285.347 2.411 10 0 CEAEHM CC(C)CN1CCN(c2ccc(C(=O)[O-])cc2)CC1 ZINC000006858902 361338077 /nfs/dbraw/zinc/33/80/77/361338077.db2.gz UBWVRBNJWNBEIM-UHFFFAOYSA-N -1 3 262.353 2.163 10 0 CEAEHM CN(C)CCN(C)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000176375594 368230849 /nfs/dbraw/zinc/23/08/49/368230849.db2.gz RNPVJDPZDRQOSI-UHFFFAOYSA-N -1 3 291.178 2.333 10 0 CEAEHM COc1c2c(cc(OCC=C(C)C)c1C)C(=O)[N-]C2=O ZINC000225461144 370296770 /nfs/dbraw/zinc/29/67/70/370296770.db2.gz ZSSDQYBHZQJKGP-UHFFFAOYSA-N -1 3 275.304 2.232 10 0 CEAEHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc([O-])ccc1Cl ZINC000236504254 370590898 /nfs/dbraw/zinc/59/08/98/370590898.db2.gz KVIBRYRPTZPETI-NOZJJQNGSA-N -1 3 283.755 2.327 10 0 CEAEHM O=C(c1cc([O-])ccc1F)N1CC[C@H](O)C12CCCC2 ZINC000295518066 378193068 /nfs/dbraw/zinc/19/30/68/378193068.db2.gz FXJIYFZVXKNNHH-ZDUSSCGKSA-N -1 3 279.311 2.051 10 0 CEAEHM CCc1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000191675191 130276221 /nfs/dbraw/zinc/27/62/21/130276221.db2.gz VKLAIVLNUJEOAL-ZDUSSCGKSA-N -1 3 299.374 2.318 10 0 CEAEHM C[C@@H]1CSCCN1c1cc2c(cc1Cl)C(=O)C(=O)[N-]2 ZINC000092772715 135077596 /nfs/dbraw/zinc/07/75/96/135077596.db2.gz LLAOGXMQQBAGBI-SSDOTTSWSA-N -1 3 296.779 2.417 10 0 CEAEHM C[C@H]([C@H](C)C(=O)[O-])N1CCN(c2ccccc2F)CC1 ZINC000093036507 135078511 /nfs/dbraw/zinc/07/85/11/135078511.db2.gz XKKNXQNTESHQPB-NWDGAFQWSA-N -1 3 280.343 2.057 10 0 CEAEHM CC[C@@H]1CN(c2cccc(F)c2C(=O)[O-])CCN1C ZINC000093411298 135080857 /nfs/dbraw/zinc/08/08/57/135080857.db2.gz OGBJVLZRHMJOFG-SNVBAGLBSA-N -1 3 266.316 2.054 10 0 CEAEHM Cc1ccc(N2CCN3CCCC[C@@H]3C2)c(C(=O)[O-])c1 ZINC000094440323 135088661 /nfs/dbraw/zinc/08/86/61/135088661.db2.gz ZRTVQOIXYOFMLJ-CYBMUJFWSA-N -1 3 274.364 2.368 10 0 CEAEHM CC(C)C[C@H](CN(C)C)NC(=O)c1c([O-])cccc1F ZINC000119851797 394772462 /nfs/dbraw/zinc/77/24/62/394772462.db2.gz SDIUEYAQKHLNTR-LLVKDONJSA-N -1 3 282.359 2.237 10 0 CEAEHM CN(Cc1csc(C(=O)[O-])c1)C[C@H]1CCCO1 ZINC000652386960 401499527 /nfs/dbraw/zinc/49/95/27/401499527.db2.gz VBMVOYPTFFIZGS-SNVBAGLBSA-N 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184925467 /nfs/dbraw/zinc/92/54/67/184925467.db2.gz BCOJJQKHIOCAOB-UHFFFAOYSA-N -1 3 260.272 2.382 10 0 CEAEHM C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(N)c(C(=O)[O-])c1 ZINC000094443764 135088811 /nfs/dbraw/zinc/08/88/11/135088811.db2.gz IXYMVRSDYMZRBT-DGCLKSJQSA-N -1 3 289.379 2.030 10 0 CEAEHM CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000186860843 395296351 /nfs/dbraw/zinc/29/63/51/395296351.db2.gz MRLNRXTZMRFNMV-RNCFNFMXSA-N -1 3 298.333 2.129 10 0 CEAEHM Cc1ccc(C(=O)N2CCS[C@@H](C)C2)c([O-])c1 ZINC000134348857 292061176 /nfs/dbraw/zinc/06/11/76/292061176.db2.gz ZLXQHWKTIQGGFB-JTQLQIEISA-N -1 3 251.351 2.278 10 0 CEAEHM Cc1ccc([O-])c(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)c1 ZINC000083704040 292163860 /nfs/dbraw/zinc/16/38/60/292163860.db2.gz KLYIFARGOLCTJH-UONOGXRCSA-N -1 3 288.391 2.399 10 0 CEAEHM Cc1ccc(-c2cc(CNCCC(=O)[O-])on2)cc1 ZINC000035386008 172167928 /nfs/dbraw/zinc/16/79/28/172167928.db2.gz GKDRIZXEQOPYCY-UHFFFAOYSA-N -1 3 260.293 2.214 10 0 CEAEHM CCC[C@H](C)N(C)CC(=O)c1ccc([O-])cc1O ZINC000037339234 173140456 /nfs/dbraw/zinc/14/04/56/173140456.db2.gz BBECNMIXSJEFBE-JTQLQIEISA-N -1 3 251.326 2.401 10 0 CEAEHM Nc1cc(F)c(Nc2ccc3c(c2)C(=O)[N-]C3=O)c(F)c1 ZINC000038039940 174039502 /nfs/dbraw/zinc/03/95/02/174039502.db2.gz HAXMBJUKJMSHLL-UHFFFAOYSA-N -1 3 289.241 2.174 10 0 CEAEHM CCCC[C@H](N)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000040479406 174283641 /nfs/dbraw/zinc/28/36/41/174283641.db2.gz KZKPMEPQMVNYQL-JTQLQIEISA-N -1 3 284.743 2.494 10 0 CEAEHM CCC[C@](C)(N)C(=O)N(CCCC(=O)[O-])c1ccccc1 ZINC000040484221 174287799 /nfs/dbraw/zinc/28/77/99/174287799.db2.gz XQKRHOHVPCYAHA-INIZCTEOSA-N -1 3 292.379 2.402 10 0 CEAEHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(N)cc2)c1 ZINC000043327726 175009654 /nfs/dbraw/zinc/00/96/54/175009654.db2.gz VEPLRGGWTNLPTR-JTQLQIEISA-N -1 3 286.331 2.474 10 0 CEAEHM Nc1ccc([N-]S(=O)(=O)c2ccccc2)c(F)c1 ZINC000043473914 175054227 /nfs/dbraw/zinc/05/42/27/175054227.db2.gz NJOIOCREWABATA-UHFFFAOYSA-N -1 3 266.297 2.209 10 0 CEAEHM C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000044922742 175276950 /nfs/dbraw/zinc/27/69/50/175276950.db2.gz ONSBVOGMQHLDDQ-JGVFFNPUSA-N -1 3 251.721 2.265 10 0 CEAEHM CN(C)[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000071140097 176038396 /nfs/dbraw/zinc/03/83/96/176038396.db2.gz XMRQNYRMQLZJAB-ZDUSSCGKSA-N -1 3 284.359 2.322 10 0 CEAEHM O=C([O-])c1ccc(CN[C@@H]2CCC[C@@H]2n2ccnc2)o1 ZINC000071381259 176144727 /nfs/dbraw/zinc/14/47/27/176144727.db2.gz BPTNWFAYZOGWMK-NEPJUHHUSA-N -1 3 275.308 2.058 10 0 CEAEHM CC(C)(C)[C@H](N)c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000071396837 176150194 /nfs/dbraw/zinc/15/01/94/176150194.db2.gz PNPVHUHBTRKQKP-CYBMUJFWSA-N -1 3 257.337 2.483 10 0 CEAEHM COc1cc(CC(C)=O)cc(Br)c1[O-] ZINC000002558071 333049827 /nfs/dbraw/zinc/04/98/27/333049827.db2.gz FXJZTBBKTLEEJT-UHFFFAOYSA-N -1 3 259.099 2.295 10 0 CEAEHM CCO[C@H](CN(Cc1cccs1)C1CC1)C(=O)[O-] ZINC000062756058 520515875 /nfs/dbraw/zinc/51/58/75/520515875.db2.gz XONXESWDRAEWPO-GFCCVEGCSA-N -1 3 269.366 2.202 10 0 CEAEHM CCN1CCN(c2cccc(F)c2C(=O)[O-])C[C@@H]1C ZINC000093411297 535750442 /nfs/dbraw/zinc/75/04/42/535750442.db2.gz VRYGXZFOCHQDDA-JTQLQIEISA-N -1 3 266.316 2.054 10 0 CEAEHM CC(C)C[C@@H](CN(C)C)Nc1ccc(C(=O)[O-])o1 ZINC000050909100 519776050 /nfs/dbraw/zinc/77/60/50/519776050.db2.gz JCKQHXNRBZUPMW-JTQLQIEISA-N -1 3 254.330 2.366 10 0 CEAEHM CCCCCNC(=O)[C@@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925455 520209745 /nfs/dbraw/zinc/20/97/45/520209745.db2.gz HPLLHSXQNCFSHU-ZIAGYGMSSA-N -1 3 298.427 2.401 10 0 CEAEHM CCN(CC(=O)Nc1cc(F)ccc1C)[C@@H](C)CC(=O)[O-] ZINC000061182921 520354642 /nfs/dbraw/zinc/35/46/42/520354642.db2.gz QTVVYJCUYWVWLO-NSHDSACASA-N -1 3 296.342 2.258 10 0 CEAEHM CCN(CC(=O)Nc1ccc(C)cc1C)C[C@H](C)C(=O)[O-] ZINC000061218340 520357752 /nfs/dbraw/zinc/35/77/52/520357752.db2.gz OEJFTQHXXLLXIX-ZDUSSCGKSA-N -1 3 292.379 2.285 10 0 CEAEHM CN(C)C[C@@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000061652179 521835480 /nfs/dbraw/zinc/83/54/80/521835480.db2.gz 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C[C@@H](c1cccc(O)c1)N1CCC(OCCC(=O)[O-])CC1 ZINC000086773759 179326977 /nfs/dbraw/zinc/32/69/77/179326977.db2.gz IHTNFHOCBBQDCJ-LBPRGKRZSA-N -1 3 293.363 2.409 10 0 CEAEHM CC(C)c1cc(=O)[n-]c([C@H]2CSCCS2)n1 ZINC000086981674 179373297 /nfs/dbraw/zinc/37/32/97/179373297.db2.gz YASWWYMJIFTOIQ-SECBINFHSA-N -1 3 256.396 2.414 10 0 CEAEHM CC(C)[C@@H]1CCC[C@@H](N2CCN(CC(=O)[O-])CC2)CC1 ZINC000086953057 179368999 /nfs/dbraw/zinc/36/89/99/179368999.db2.gz RYBGVOYENSOVPF-HUUCEWRRSA-N -1 3 282.428 2.294 10 0 CEAEHM CC1(C)CCC(O)(CNC(=O)c2ccc([O-])cc2)CC1 ZINC000087071364 179391560 /nfs/dbraw/zinc/39/15/60/179391560.db2.gz TVWMGEDVQHDBNE-UHFFFAOYSA-N -1 3 277.364 2.453 10 0 CEAEHM CCOC(=O)c1c(=O)cc(-c2ccccc2OC)[nH]c1[O-] ZINC000616587746 348527125 /nfs/dbraw/zinc/52/71/25/348527125.db2.gz AMBXOIBGFIWUBJ-UHFFFAOYSA-N -1 3 289.287 2.345 10 0 CEAEHM CCOC(=O)c1c([O-])cc(-c2ccccc2OC)[nH]c1=O ZINC000616587746 348527127 /nfs/dbraw/zinc/52/71/27/348527127.db2.gz AMBXOIBGFIWUBJ-UHFFFAOYSA-N -1 3 289.287 2.345 10 0 CEAEHM CC(C)N1CCOC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616596807 348529586 /nfs/dbraw/zinc/52/95/86/348529586.db2.gz CDTCKIVKMUDZLW-LBPRGKRZSA-N -1 3 263.337 2.209 10 0 CEAEHM CN(Cc1ccsc1)CC1(O)CCC(C(=O)[O-])CC1 ZINC000234287475 539703291 /nfs/dbraw/zinc/70/32/91/539703291.db2.gz DJUWRGUNUXARCD-UHFFFAOYSA-N -1 3 283.393 2.186 10 0 CEAEHM Cc1nc(CNC[C@H]2CCCC[C@@H]2C(=O)[O-])oc1C ZINC000089437867 179788927 /nfs/dbraw/zinc/78/89/27/179788927.db2.gz CJMJADDCLBECMI-NEPJUHHUSA-N -1 3 266.341 2.272 10 0 CEAEHM C[C@H](Cc1ccco1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133263 180101999 /nfs/dbraw/zinc/10/19/99/180101999.db2.gz GQSFEDMAKOTXQC-MNOVXSKESA-N -1 3 269.366 2.103 10 0 CEAEHM Cc1nc(C)c([C@@H](C)Nc2nccs2)c(=O)[n-]1 ZINC000091527790 180179809 /nfs/dbraw/zinc/17/98/09/180179809.db2.gz XOTRWBQLKHUUFB-SSDOTTSWSA-N -1 3 250.327 2.016 10 0 CEAEHM CC[C@H]1Cc2cc(F)c(F)c(F)c2[C@H](C(=O)[O-])N1 ZINC000091547022 180187434 /nfs/dbraw/zinc/18/74/34/180187434.db2.gz KSVWNRGEUOFKBG-UPONEAKYSA-N -1 3 259.227 2.154 10 0 CEAEHM COCCN(C)Cc1ccc(F)cc1/C=C\C(=O)[O-] ZINC000105221114 186047050 /nfs/dbraw/zinc/04/70/50/186047050.db2.gz HXCYELMGYIZEHJ-XQRVVYSFSA-N -1 3 267.300 2.002 10 0 CEAEHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H]1CCCO ZINC000091782196 180253585 /nfs/dbraw/zinc/25/35/85/180253585.db2.gz MAUJBGBRVKXLHV-GHMZBOCLSA-N -1 3 267.325 2.276 10 0 CEAEHM Cc1ccc(C)n1N[C@@H](C)c1c(C)nc(C)[n-]c1=O ZINC000091785651 180255413 /nfs/dbraw/zinc/25/54/13/180255413.db2.gz JADIMUSXGBRKSB-NSHDSACASA-N -1 3 260.341 2.110 10 0 CEAEHM Cc1ccc([O-])c(C(=O)N(C)C2CCC(=O)CC2)c1 ZINC000091853193 180273488 /nfs/dbraw/zinc/27/34/88/180273488.db2.gz QIPQMSFFWYZIAK-UHFFFAOYSA-N -1 3 261.321 2.284 10 0 CEAEHM Cc1ccc([O-])c(CNc2ccc(-n3cncn3)cc2)n1 ZINC000091994608 180301303 /nfs/dbraw/zinc/30/13/03/180301303.db2.gz NRCKNVURTBHXCJ-UHFFFAOYSA-N -1 3 281.319 2.288 10 0 CEAEHM CC(C)[C@H](CO)Nc1c(C(=O)[O-])cnc2ccccc21 ZINC000092401360 180377229 /nfs/dbraw/zinc/37/72/29/180377229.db2.gz JKLXNEVVLZOPGK-ZDUSSCGKSA-N 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264.350 2.477 10 0 CEAEHM Cc1cccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000116113087 365036922 /nfs/dbraw/zinc/03/69/22/365036922.db2.gz IJZWDCCBBUAPFN-LBPRGKRZSA-N -1 3 285.347 2.064 10 0 CEAEHM O=C(N[C@H]1CCCC[C@H]1O)c1ccc2c(c1[O-])CCCC2 ZINC000183338204 368622820 /nfs/dbraw/zinc/62/28/20/368622820.db2.gz NRVILISJHSLYEZ-LSDHHAIUSA-N -1 3 289.375 2.304 10 0 CEAEHM COC(=O)Cc1c(C)ccc(Br)c1[O-] ZINC000260989381 371636169 /nfs/dbraw/zinc/63/61/69/371636169.db2.gz YQWQXDXDYYASTL-UHFFFAOYSA-N -1 3 259.099 2.179 10 0 CEAEHM O=S(=O)(CCCC(F)(F)F)Oc1cccc([O-])c1 ZINC000261507658 190040230 /nfs/dbraw/zinc/04/02/30/190040230.db2.gz KUZRGOYEGKUIGA-UHFFFAOYSA-N -1 3 284.255 2.443 10 0 CEAEHM CN(C)CCSCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000095020833 184917380 /nfs/dbraw/zinc/91/73/80/184917380.db2.gz URNQOESMQQWMSH-VMPITWQZSA-N -1 3 295.404 2.458 10 0 CEAEHM C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000189797777 130022946 /nfs/dbraw/zinc/02/29/46/130022946.db2.gz YCGZVTCAQXQQAY-SCZZXKLOSA-N -1 3 253.273 2.285 10 0 CEAEHM C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000189797797 130023044 /nfs/dbraw/zinc/02/30/44/130023044.db2.gz YCGZVTCAQXQQAY-WPRPVWTQSA-N -1 3 253.273 2.285 10 0 CEAEHM C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(N)cc1C(=O)[O-] ZINC000094443760 135088547 /nfs/dbraw/zinc/08/85/47/135088547.db2.gz DUPFZZFNXJFLKO-WCQYABFASA-N -1 3 289.379 2.030 10 0 CEAEHM O=C1[N-]C(=O)[C@H](c2ccccc2OCc2ccccc2)N1 ZINC000095883464 394674474 /nfs/dbraw/zinc/67/44/74/394674474.db2.gz JZJJUEHRTCMZMT-AWEZNQCLSA-N -1 3 282.299 2.146 10 0 CEAEHM C[C@H](NC(=O)c1c[n-]nn1)c1ccc(Cl)s1 ZINC000048891690 400216511 /nfs/dbraw/zinc/21/65/11/400216511.db2.gz OQHRUENXZONMPY-YFKPBYRVSA-N -1 3 256.718 2.011 10 0 CEAEHM C[C@H](NC(=O)c1cnn[n-]1)c1ccc(Cl)s1 ZINC000048891690 400216514 /nfs/dbraw/zinc/21/65/14/400216514.db2.gz OQHRUENXZONMPY-YFKPBYRVSA-N -1 3 256.718 2.011 10 0 CEAEHM C[C@H](NC(=O)c1cn[n-]n1)c1ccc(Cl)s1 ZINC000048891690 400216519 /nfs/dbraw/zinc/21/65/19/400216519.db2.gz OQHRUENXZONMPY-YFKPBYRVSA-N -1 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CN(C)C[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000123491065 279792831 /nfs/dbraw/zinc/79/28/31/279792831.db2.gz DMNCRQZRCYYEEH-OAHLLOKOSA-N -1 3 284.359 2.425 10 0 CEAEHM CCCN1CCN([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000062749765 519859754 /nfs/dbraw/zinc/85/97/54/519859754.db2.gz AVVSDSRAWDFYQB-OAHLLOKOSA-N -1 3 276.380 2.230 10 0 CEAEHM CC(C)n1c(=S)[n-]nc1N1CCC[C@H]1CN(C)C ZINC000061651955 519919789 /nfs/dbraw/zinc/91/97/89/519919789.db2.gz LFGMXYBEBRXMQY-JTQLQIEISA-N -1 3 269.418 2.052 10 0 CEAEHM CCN(C(=O)c1ccc(CN(C)C)cc1)[C@H](C)CC(=O)[O-] ZINC000061179751 520083476 /nfs/dbraw/zinc/08/34/76/520083476.db2.gz XWIZWIWKWKUXJM-GFCCVEGCSA-N -1 3 292.379 2.074 10 0 CEAEHM CCCCCNC(=O)[C@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925457 520214461 /nfs/dbraw/zinc/21/44/61/520214461.db2.gz HPLLHSXQNCFSHU-UONOGXRCSA-N -1 3 298.427 2.401 10 0 CEAEHM CCN(CC(=O)N(CC)c1ccccc1)[C@H](C)CC(=O)[O-] ZINC000061183346 520305646 /nfs/dbraw/zinc/30/56/46/520305646.db2.gz OAOKIDJYUHDFFL-CYBMUJFWSA-N -1 3 292.379 2.225 10 0 CEAEHM CCN(CC(=O)Nc1ccc(C)c(F)c1)[C@H](C)CC(=O)[O-] ZINC000061182925 520357117 /nfs/dbraw/zinc/35/71/17/520357117.db2.gz ZHCWDHNEVUKNPI-LLVKDONJSA-N -1 3 296.342 2.258 10 0 CEAEHM CCC[C@@H](C(=O)[N-]OCc1ccc(F)cc1)N(C)C ZINC000184169422 520591622 /nfs/dbraw/zinc/59/16/22/520591622.db2.gz FHNLNURCLOKDRL-ZDUSSCGKSA-N -1 3 268.332 2.104 10 0 CEAEHM CCN(Cc1nc2ccccc2o1)C[C@H](C)C(=O)[O-] ZINC000061218384 521457162 /nfs/dbraw/zinc/45/71/62/521457162.db2.gz BRHUODDPJVXBHB-JTQLQIEISA-N -1 3 262.309 2.370 10 0 CEAEHM CCCc1nc(N(C)[C@H]2CCCN(C)C2)sc1C(=O)[O-] ZINC000054968348 521529430 /nfs/dbraw/zinc/52/94/30/521529430.db2.gz KDJHBWXHKSEVAG-JTQLQIEISA-N -1 3 297.424 2.324 10 0 CEAEHM CCC(CC)NC(=O)[C@@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925506 521586045 /nfs/dbraw/zinc/58/60/45/521586045.db2.gz LFYQJJRDORZPOO-TZMCWYRMSA-N -1 3 298.427 2.399 10 0 CEAEHM COC(=O)c1cnc(-c2cccc3cccnc32)[n-]1 ZINC000069501977 521794741 /nfs/dbraw/zinc/79/47/41/521794741.db2.gz CXCPJTQXYANJLL-UHFFFAOYSA-N 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CNc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccn1 ZINC000050662728 522576401 /nfs/dbraw/zinc/57/64/01/522576401.db2.gz RVTGPJOFMAYPHU-UHFFFAOYSA-N -1 3 299.302 2.202 10 0 CEAEHM CC[C@H]1CN([C@@H](CC(=O)[O-])c2ccccc2)CCO1 ZINC000062752075 523302811 /nfs/dbraw/zinc/30/28/11/523302811.db2.gz LAPDQYSJKSRFQY-KBPBESRZSA-N -1 3 263.337 2.313 10 0 CEAEHM COCCN(Cc1cccnc1C(=O)[O-])[C@H](C)C1CC1 ZINC000062754961 523762754 /nfs/dbraw/zinc/76/27/54/523762754.db2.gz UVICEZUAVDFWJH-LLVKDONJSA-N -1 3 278.352 2.027 10 0 CEAEHM CC[C@H](C)N1CCN(C[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000062756696 523954833 /nfs/dbraw/zinc/95/48/33/523954833.db2.gz NNOWNZXERDKSHO-GOEBONIOSA-N -1 3 290.407 2.271 10 0 CEAEHM Cc1cccc(C(=O)NCc2cccc(N)c2)c1[O-] ZINC000052925821 524199020 /nfs/dbraw/zinc/19/90/20/524199020.db2.gz MICKCBCXCOTUID-UHFFFAOYSA-N -1 3 256.305 2.213 10 0 CEAEHM C[C@H](CN1CCCC1)Nc1ccc(C(=O)[O-])cc1F ZINC000054531543 524319466 /nfs/dbraw/zinc/31/94/66/524319466.db2.gz WBNSZFBJNLVUJP-SNVBAGLBSA-N -1 3 266.316 2.420 10 0 CEAEHM C[C@@H](CNc1ccc(C(=O)[O-])o1)N1CCCCC1 ZINC000050909416 524755964 /nfs/dbraw/zinc/75/59/64/524755964.db2.gz BSASQHVRJWELGT-JTQLQIEISA-N -1 3 252.314 2.264 10 0 CEAEHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000052272067 524964503 /nfs/dbraw/zinc/96/45/03/524964503.db2.gz ILBJGNRFFXOEQU-SSDLBLMSSA-N -1 3 295.191 2.262 10 0 CEAEHM Cc1ccc(OC[C@](N)(C(=O)[O-])c2ccccc2)cc1 ZINC000045476643 525443246 /nfs/dbraw/zinc/44/32/46/525443246.db2.gz PHGWTZGVKDPLOK-MRXNPFEDSA-N -1 3 271.316 2.313 10 0 CEAEHM COc1cccc(N2CCN([C@H](C)CCC(=O)[O-])CC2)c1 ZINC000050956481 526154800 /nfs/dbraw/zinc/15/48/00/526154800.db2.gz LNPXNBKPZIJEFP-CYBMUJFWSA-N -1 3 292.379 2.071 10 0 CEAEHM Cc1ccc(C(=O)[O-])c(NC[C@@H](C)N2CCCCC2)n1 ZINC000054528950 526233143 /nfs/dbraw/zinc/23/31/43/526233143.db2.gz DNVZBAWQQCYRIE-GFCCVEGCSA-N -1 3 277.368 2.375 10 0 CEAEHM Cc1nnc(NC[C@H](C)N2CCCCC2)c(C(=O)[O-])c1C ZINC000054528948 526370664 /nfs/dbraw/zinc/37/06/64/526370664.db2.gz JCJWKKPZVLFGCY-JTQLQIEISA-N -1 3 292.383 2.078 10 0 CEAEHM Cc1nnc(N[C@@H](C)CN2CCCCC2)c(C(=O)[O-])c1C ZINC000054532226 526372669 /nfs/dbraw/zinc/37/26/69/526372669.db2.gz PKVPIOKMXJVYSV-JTQLQIEISA-N -1 3 292.383 2.078 10 0 CEAEHM Nc1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccn1 ZINC000050640836 527460340 /nfs/dbraw/zinc/46/03/40/527460340.db2.gz DVSAZDBLNBAZIN-UHFFFAOYSA-N -1 3 283.740 2.118 10 0 CEAEHM Cn1ncc2c1CCC[C@H]2N[C@H](C(=O)[O-])c1ccccc1 ZINC000050509491 527581054 /nfs/dbraw/zinc/58/10/54/527581054.db2.gz MOVGIWNTKGHDFY-HIFRSBDPSA-N -1 3 285.347 2.213 10 0 CEAEHM CCC[C@H](N[C@H](C)c1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000262295283 630666834 /nfs/dbraw/zinc/66/68/34/630666834.db2.gz ORISYHPYIBGCHP-YPMHNXCESA-N -1 3 288.351 2.171 10 0 CEAEHM COc1ccc(Cl)cc1-c1c(N)nc(N(C)C)[n-]c1=O ZINC000757180040 631828923 /nfs/dbraw/zinc/82/89/23/631828923.db2.gz RFEURKKMJWNZQL-UHFFFAOYSA-N -1 3 294.742 2.159 10 0 CEAEHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2F)o1 ZINC000336558163 365643341 /nfs/dbraw/zinc/64/33/41/365643341.db2.gz JAQKEWCKWUXSSG-JTQLQIEISA-N -1 3 298.339 2.470 10 0 CEAEHM CC(C)c1nc(CN2CCc3ccccc3C2)cc(=O)[n-]1 ZINC000041391935 362032640 /nfs/dbraw/zinc/03/26/40/362032640.db2.gz TVYQRZXLTXFAHU-UHFFFAOYSA-N -1 3 283.375 2.452 10 0 CEAEHM COc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000048194651 362249699 /nfs/dbraw/zinc/24/96/99/362249699.db2.gz XOOATVNRJJKSIY-HIFRSBDPSA-N -1 3 291.347 2.184 10 0 CEAEHM N[C@@]1(C(=O)[O-])CCCc2cc(Br)ccc21 ZINC000215362328 344533917 /nfs/dbraw/zinc/53/39/17/344533917.db2.gz UTXWNRSSRJHAAT-NSHDSACASA-N -1 3 270.126 2.024 10 0 CEAEHM CC(C)n1ncnc1CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000230052065 344569573 /nfs/dbraw/zinc/56/95/73/344569573.db2.gz AJAGDLYKTHQFMJ-AVGNSLFASA-N -1 3 292.383 2.077 10 0 CEAEHM S=c1[n-]c(N2CCCC2)ncc1Br ZINC000236570731 344596473 /nfs/dbraw/zinc/59/64/73/344596473.db2.gz PQNRIUXADXZPKV-UHFFFAOYSA-N -1 3 260.160 2.128 10 0 CEAEHM COC(=O)c1cc2c(F)ccc([O-])c2cc1OC ZINC000584626821 344968843 /nfs/dbraw/zinc/96/88/43/344968843.db2.gz UHFMKJOJFXJWJE-UHFFFAOYSA-N -1 3 250.225 2.480 10 0 CEAEHM Cc1nc([C@H]2CCCc3ccccc32)[n-]c(=O)c1CCO ZINC000085403903 179052911 /nfs/dbraw/zinc/05/29/11/179052911.db2.gz XQHZSPMPFFYHTR-HNNXBMFYSA-N -1 3 284.359 2.081 10 0 CEAEHM CC(C)c1cnc(SCC(=O)[O-])n1CCN(C)C1CC1 ZINC000085669316 179111228 /nfs/dbraw/zinc/11/12/28/179111228.db2.gz ZEMBWPOOVJOGRI-UHFFFAOYSA-N -1 3 297.424 2.277 10 0 CEAEHM CC(C)(C)C[C@H](NC(=O)[C@@H](N)CC(=O)[O-])c1ccccc1 ZINC000085812368 179178625 /nfs/dbraw/zinc/17/86/25/179178625.db2.gz RRCNVHGIDOSQSS-STQMWFEESA-N -1 3 292.379 2.082 10 0 CEAEHM CC[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(N)cs2)[C@@H]1C ZINC000086083021 179228191 /nfs/dbraw/zinc/22/81/91/179228191.db2.gz CPWVNTFEFAUXNS-WCABBAIRSA-N -1 3 288.438 2.433 10 0 CEAEHM C[C@H](c1cccc(O)c1)N1CCC(OCC(=O)[O-])CC1 ZINC000086773460 179326668 /nfs/dbraw/zinc/32/66/68/179326668.db2.gz LHTHVEMKXSRZMT-LLVKDONJSA-N -1 3 279.336 2.019 10 0 CEAEHM COc1cc(CN2CCCC[C@@H]2CC(=O)[O-])ccc1O ZINC000086775233 179327947 /nfs/dbraw/zinc/32/79/47/179327947.db2.gz HDWNGGRLTCXARE-GFCCVEGCSA-N -1 3 279.336 2.230 10 0 CEAEHM C[C@@H](c1cnn(C)c1)N1CCC(CCC(=O)[O-])CC1 ZINC000086755989 179323199 /nfs/dbraw/zinc/32/31/99/179323199.db2.gz GHPAPCVYFYAMOO-NSHDSACASA-N -1 3 265.357 2.058 10 0 CEAEHM CCC1(C(=O)[O-])CCN([C@@H]2COc3cc(O)ccc32)CC1 ZINC000086788860 179333853 /nfs/dbraw/zinc/33/38/53/179333853.db2.gz ZVGMHLDQXREARW-CYBMUJFWSA-N -1 3 291.347 2.403 10 0 CEAEHM C[C@@H]1CCC[C@@](O)(CNCc2ccc(C(=O)[O-])o2)C1 ZINC000087052363 179388941 /nfs/dbraw/zinc/38/89/41/179388941.db2.gz KRYJKQIKEQZVEC-YGRLFVJLSA-N -1 3 267.325 2.009 10 0 CEAEHM O=C([O-])C1(CN2C[C@H]3CC[C@@H](C2)O3)CCCCCC1 ZINC000090907637 180061693 /nfs/dbraw/zinc/06/16/93/180061693.db2.gz ZNMFWDCHRKFDJJ-BETUJISGSA-N -1 3 267.369 2.275 10 0 CEAEHM CCC1CCC(N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000091296513 180124655 /nfs/dbraw/zinc/12/46/55/180124655.db2.gz ULLHLPCRSQIQRT-WXRRBKDZSA-N -1 3 255.358 2.131 10 0 CEAEHM COc1ccc(CN2CCCC2)cc1/C=C\C(=O)[O-] ZINC000105221400 186047598 /nfs/dbraw/zinc/04/75/98/186047598.db2.gz RJGUAKMDDYEGSO-ALCCZGGFSA-N -1 3 261.321 2.389 10 0 CEAEHM Cc1ccc([O-])c(CNc2ccc(C(N)=O)cc2C)n1 ZINC000091993965 180300801 /nfs/dbraw/zinc/30/08/01/180300801.db2.gz RQMUTNQFYAPTTH-UHFFFAOYSA-N -1 3 271.320 2.115 10 0 CEAEHM COC(=O)c1ccccc1NCc1nc(C)ccc1[O-] ZINC000091993643 180301499 /nfs/dbraw/zinc/30/14/99/180301499.db2.gz DBAODOYYJRAUPR-UHFFFAOYSA-N -1 3 272.304 2.494 10 0 CEAEHM Cc1[n-]n([C@@H]2CCCCC[C@@H]2O)c(=O)c1C(C)C ZINC000108459948 186217941 /nfs/dbraw/zinc/21/79/41/186217941.db2.gz GUHVKTXXKJTDEC-FRRDWIJNSA-N -1 3 252.358 2.170 10 0 CEAEHM O=C([O-])c1cccc(F)c1N1CC[C@@H](N2CCCC2)C1 ZINC000110345415 186293324 /nfs/dbraw/zinc/29/33/24/186293324.db2.gz RASLRMOFRMBPOE-LLVKDONJSA-N -1 3 278.327 2.198 10 0 CEAEHM CC(C)c1c(N)nc(-c2ccc(F)c(F)c2)[n-]c1=O ZINC000110473068 186298577 /nfs/dbraw/zinc/29/85/77/186298577.db2.gz ZIOXMDLPWKNMGO-UHFFFAOYSA-N -1 3 265.263 2.421 10 0 CEAEHM O=c1cc(C2CC2)nc(Cc2nc3ccccc3[nH]2)[n-]1 ZINC000110949548 186335890 /nfs/dbraw/zinc/33/58/90/186335890.db2.gz QWYCIKMGWGHXFZ-UHFFFAOYSA-N -1 3 266.304 2.114 10 0 CEAEHM Cc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1C(=O)[O-] ZINC000110988147 186338930 /nfs/dbraw/zinc/33/89/30/186338930.db2.gz ZBWAJPXWIFWWAZ-LLVKDONJSA-N -1 3 264.325 2.005 10 0 CEAEHM Cc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1C(=O)[O-] ZINC000110988295 186339785 /nfs/dbraw/zinc/33/97/85/186339785.db2.gz TWGFNWRASBLSQU-LBPRGKRZSA-N -1 3 264.325 2.005 10 0 CEAEHM Cc1cnc([C@H](C)NC(=O)c2c(C)cccc2[O-])o1 ZINC000626390947 350718434 /nfs/dbraw/zinc/71/84/34/350718434.db2.gz GHLZIWCRFQWBBP-JTQLQIEISA-N -1 3 260.293 2.488 10 0 CEAEHM CCC[C@](C)(N)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278405 186386544 /nfs/dbraw/zinc/38/65/44/186386544.db2.gz UQIWFHDBFBNIET-ZDUSSCGKSA-N -1 3 284.743 2.494 10 0 CEAEHM CC(C)(C)CCNS(=O)(=O)c1ccc([O-])cc1 ZINC000124194772 187126302 /nfs/dbraw/zinc/12/63/02/187126302.db2.gz FUETVKPIYIOZEN-UHFFFAOYSA-N -1 3 257.355 2.107 10 0 CEAEHM CCC(CC)N(CCOC)Cc1ncccc1C(=O)[O-] ZINC000379882268 540120962 /nfs/dbraw/zinc/12/09/62/540120962.db2.gz SEBQGQYJVNOUHF-UHFFFAOYSA-N -1 3 280.368 2.417 10 0 CEAEHM Nc1c(Cl)ccc([O-])c1I ZINC000575719834 366345437 /nfs/dbraw/zinc/34/54/37/366345437.db2.gz ANJFOVCLFDITJA-UHFFFAOYSA-N -1 3 269.469 2.232 10 0 CEAEHM CCOC(=O)Cc1ccc([O-])c(C(F)(F)F)c1N ZINC000575725047 366348097 /nfs/dbraw/zinc/34/80/97/366348097.db2.gz QGMBJRGWQZFGAP-UHFFFAOYSA-N -1 3 263.215 2.099 10 0 CEAEHM CC(C)(C)[C@H](O)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000302404641 538868917 /nfs/dbraw/zinc/86/89/17/538868917.db2.gz OUNFRFHBSLUIFM-CYBMUJFWSA-N -1 3 263.337 2.107 10 0 CEAEHM Cc1cc(NC[C@@H](C)O)c2ccc(C(=O)[O-])cc2n1 ZINC000004226542 361306672 /nfs/dbraw/zinc/30/66/72/361306672.db2.gz GSIRDRVGIRDYGA-SECBINFHSA-N -1 3 260.293 2.034 10 0 CEAEHM O=C(NC[C@H]1CCCC[C@H]1O)c1cc([O-])ccc1Cl ZINC000236552253 370591807 /nfs/dbraw/zinc/59/18/07/370591807.db2.gz YICPDNIBLHREMT-NOZJJQNGSA-N -1 3 283.755 2.327 10 0 CEAEHM O=C(c1cc([O-])ccc1F)N1CCC2(C1)CCOCC2 ZINC000294851235 296184580 /nfs/dbraw/zinc/18/45/80/296184580.db2.gz FPMISIFHYBUVQY-UHFFFAOYSA-N -1 3 279.311 2.174 10 0 CEAEHM C[C@H](CN(C)Cc1oncc1C(=O)[O-])C(C)(C)C ZINC000399554564 375366747 /nfs/dbraw/zinc/36/67/47/375366747.db2.gz DLULKRYVWFFMCB-SECBINFHSA-N -1 3 254.330 2.487 10 0 CEAEHM CCN1CCC[C@H]1CN(C)C(=O)c1c([O-])cc(F)cc1F ZINC000177423274 542245730 /nfs/dbraw/zinc/24/57/30/542245730.db2.gz UIXHZYOHZNKCCB-NSHDSACASA-N -1 3 298.333 2.227 10 0 CEAEHM C[C@@H]1CC(CNC(=O)c2ccc(O)cc2[O-])C[C@@H](C)O1 ZINC000281312913 195192288 /nfs/dbraw/zinc/19/22/88/195192288.db2.gz PNYAHGPCCQPYHA-NXEZZACHSA-N -1 3 279.336 2.031 10 0 CEAEHM CC(=O)N(C)Cc1cccc(NCc2ccc([O-])cn2)c1 ZINC000094210091 184763215 /nfs/dbraw/zinc/76/32/15/184763215.db2.gz CLQTXVXUKLGZFG-UHFFFAOYSA-N -1 3 285.347 2.378 10 0 CEAEHM C[C@@H]1CC(CNC(=O)c2c([O-])cccc2O)C[C@@H](C)O1 ZINC000281581866 195296480 /nfs/dbraw/zinc/29/64/80/195296480.db2.gz ZXOOWXXIPCWINV-NXEZZACHSA-N -1 3 279.336 2.031 10 0 CEAEHM NCc1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000021957782 171341949 /nfs/dbraw/zinc/34/19/49/171341949.db2.gz ZZAUUMOAPGWNHV-UHFFFAOYSA-N -1 3 280.324 2.085 10 0 CEAEHM NCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000022178531 171372114 /nfs/dbraw/zinc/37/21/14/171372114.db2.gz HLALVSQMNTYRBW-UHFFFAOYSA-N -1 3 298.314 2.224 10 0 CEAEHM NNc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000035354181 172144708 /nfs/dbraw/zinc/14/47/08/172144708.db2.gz TWFNHFXACJUERL-UHFFFAOYSA-N -1 3 299.302 2.051 10 0 CEAEHM CC(C)(CO)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000035610538 172296468 /nfs/dbraw/zinc/29/64/68/172296468.db2.gz YIXDMAWVJDUKIZ-UHFFFAOYSA-N -1 3 298.191 2.043 10 0 CEAEHM C[C@@H](NC(=O)c1cccc([O-])c1)c1cccc(N)c1 ZINC000037177710 173011689 /nfs/dbraw/zinc/01/16/89/173011689.db2.gz BSYKXFRUMUURDF-SNVBAGLBSA-N -1 3 256.305 2.465 10 0 CEAEHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1N ZINC000037178032 173011693 /nfs/dbraw/zinc/01/16/93/173011693.db2.gz CSAYAVKAJZWDDM-SNVBAGLBSA-N -1 3 256.305 2.465 10 0 CEAEHM O=C([O-])[C@@H](NC1CC1)c1ccc(F)c(Br)c1 ZINC000037183620 173015928 /nfs/dbraw/zinc/01/59/28/173015928.db2.gz IMFVZOAZVNIZFE-JTQLQIEISA-N -1 3 288.116 2.466 10 0 CEAEHM C[C@@H](C1CC1)N(C)CC(=O)c1cc(F)ccc1[O-] ZINC000037338847 173139934 /nfs/dbraw/zinc/13/99/34/173139934.db2.gz CBSKCRLAGRRRGW-VIFPVBQESA-N -1 3 251.301 2.444 10 0 CEAEHM Nc1cc2c(=O)cc(-c3ccccc3)oc2c(N)c1[O-] ZINC000039119522 174163081 /nfs/dbraw/zinc/16/30/81/174163081.db2.gz LGYRQFUVWGGRQR-UHFFFAOYSA-N -1 3 268.272 2.330 10 0 CEAEHM CC(C)(C)[C@H](N)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000040479444 174283972 /nfs/dbraw/zinc/28/39/72/174283972.db2.gz LQMAQQMLXJZYNX-SNVBAGLBSA-N -1 3 284.743 2.350 10 0 CEAEHM CCCC[C@H](N)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000040480202 174284919 /nfs/dbraw/zinc/28/49/19/174284919.db2.gz ZGQAKPPRMHGNJH-NSHDSACASA-N -1 3 264.325 2.149 10 0 CEAEHM Cc1ccc(N(CCC(=O)[O-])C(=O)[C@@H](N)CC(C)C)cc1 ZINC000040483731 174286752 /nfs/dbraw/zinc/28/67/52/174286752.db2.gz WQIVWWWHOFZFJQ-AWEZNQCLSA-N -1 3 292.379 2.176 10 0 CEAEHM CC[C@H](C)NCC(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484648 174288268 /nfs/dbraw/zinc/28/82/68/174288268.db2.gz KPSKZUYQAXZAMC-JTQLQIEISA-N -1 3 298.770 2.146 10 0 CEAEHM CC(C)N(CCCC(=O)[O-])C(=O)C[C@H](N)c1ccccc1 ZINC000040485420 174288474 /nfs/dbraw/zinc/28/84/74/174288474.db2.gz BIPGVLSDEVKFDR-AWEZNQCLSA-N -1 3 292.379 2.178 10 0 CEAEHM CC(C)(C)[C@H](N)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000040485035 174288779 /nfs/dbraw/zinc/28/87/79/174288779.db2.gz GPNROOMJWVDSRN-GXTWGEPZSA-N -1 3 292.379 2.082 10 0 CEAEHM Nc1c(=O)[n-]cnc1Nc1ccccc1C(F)(F)F ZINC000040701844 174378998 /nfs/dbraw/zinc/37/89/98/174378998.db2.gz YJASMMSSCQMPLV-UHFFFAOYSA-N -1 3 270.214 2.115 10 0 CEAEHM Nc1c(=O)[n-]cnc1Sc1ccc(Cl)cc1 ZINC000040723086 174385357 /nfs/dbraw/zinc/38/53/57/174385357.db2.gz QLVVVNWYDIVXQC-UHFFFAOYSA-N -1 3 253.714 2.157 10 0 CEAEHM CC[C@@H](N)[C@H](Sc1nc(C)cc(=O)[n-]1)c1ccccn1 ZINC000043344604 175016368 /nfs/dbraw/zinc/01/63/68/175016368.db2.gz 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/nfs/dbraw/zinc/19/81/78/176198178.db2.gz YEWGBJFYWWHTER-UHFFFAOYSA-N -1 3 279.299 2.226 10 0 CEAEHM O=S(=O)([N-][C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1F ZINC000078002744 177316286 /nfs/dbraw/zinc/31/62/86/177316286.db2.gz MKVDYATUHNOIFM-UMNHJUIQSA-N -1 3 269.341 2.293 10 0 CEAEHM COc1ccc([O-])c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000048194672 277916991 /nfs/dbraw/zinc/91/69/91/277916991.db2.gz FNUIARPGOMTVCX-UKRRQHHQSA-N -1 3 291.347 2.184 10 0 CEAEHM CCN(CC(=O)N(CC)C1CCCCC1)[C@@H](C)CC(=O)[O-] ZINC000061183581 520305863 /nfs/dbraw/zinc/30/58/63/520305863.db2.gz FCXXJSWMNFMBPY-ZDUSSCGKSA-N -1 3 298.427 2.353 10 0 CEAEHM CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(N)ccc1F ZINC000050886813 521009458 /nfs/dbraw/zinc/00/94/58/521009458.db2.gz XXNMKDXZNQOSRE-SECBINFHSA-N -1 3 274.361 2.265 10 0 CEAEHM CC(C)(C)[C@H]1CC[C@H](C(=O)[O-])[C@H](N2CCOCC2)C1 ZINC000062750055 518978241 /nfs/dbraw/zinc/97/82/41/518978241.db2.gz NTGXYBBKNPPLED-RWMBFGLXSA-N -1 3 269.385 2.234 10 0 CEAEHM CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc2c([O-])coc2c1 ZINC000062805383 521335515 /nfs/dbraw/zinc/33/55/15/521335515.db2.gz MEGLXCIPQJBQKZ-SNVBAGLBSA-N -1 3 291.347 2.334 10 0 CEAEHM CCc1cccc(NC(=O)CN(CC)[C@H](C)CC(=O)[O-])c1 ZINC000061182364 521748931 /nfs/dbraw/zinc/74/89/31/521748931.db2.gz PNDCFDDUUOLDCC-GFCCVEGCSA-N -1 3 292.379 2.373 10 0 CEAEHM CN(C)C[C@@H]1CCCN1c1nc(C2CC2)c(C(=O)[O-])s1 ZINC000069182355 521846315 /nfs/dbraw/zinc/84/63/15/521846315.db2.gz SBEWDEHZOSRARO-JTQLQIEISA-N -1 3 295.408 2.249 10 0 CEAEHM CN(Cc1cc(C(=O)[O-])ccc1F)C1CCN(C)CC1 ZINC000062756543 523167977 /nfs/dbraw/zinc/16/79/77/523167977.db2.gz XNUVKLSLGXWEQO-UHFFFAOYSA-N -1 3 280.343 2.050 10 0 CEAEHM CCn1ccnc1N[C@H](C(=O)[O-])C1CCCCC1 ZINC000050607731 523551201 /nfs/dbraw/zinc/55/12/01/523551201.db2.gz QOLOGQGQDCETDY-NSHDSACASA-N -1 3 251.330 2.348 10 0 CEAEHM COCCN(C)CCNc1cccc(Cl)c1C(=O)[O-] ZINC000061401319 523615269 /nfs/dbraw/zinc/61/52/69/523615269.db2.gz ASEKQBCDABMREL-UHFFFAOYSA-N -1 3 286.759 2.028 10 0 CEAEHM CCc1ccc(NC(=O)CN(CC)[C@H](C)CC(=O)[O-])cc1 ZINC000061183406 523971858 /nfs/dbraw/zinc/97/18/58/523971858.db2.gz HTZXOOIRFIOSJL-GFCCVEGCSA-N -1 3 292.379 2.373 10 0 CEAEHM Cc1cc(=O)[n-]c(C2(c3ccccc3)CCOCC2)n1 ZINC000062783295 526119561 /nfs/dbraw/zinc/11/95/61/526119561.db2.gz OVCFMLLARBIGJH-UHFFFAOYSA-N -1 3 270.332 2.175 10 0 CEAEHM Cc1nc(C2(c3ccccc3)CCOCC2)[n-]c(=O)c1C ZINC000062783303 526770510 /nfs/dbraw/zinc/77/05/10/526770510.db2.gz WFYDTVJXJYZLFL-UHFFFAOYSA-N -1 3 284.359 2.483 10 0 CEAEHM NC1(C(=O)Nc2cc(F)c(F)cc2C(=O)[O-])CCCCC1 ZINC000061564327 527129531 /nfs/dbraw/zinc/12/95/31/527129531.db2.gz LUXIZARFXFGXFA-UHFFFAOYSA-N -1 3 298.289 2.263 10 0 CEAEHM O=c1ccn([C@@H]2CCOc3ccccc32)c(=S)[n-]1 ZINC000052312983 527492600 /nfs/dbraw/zinc/49/26/00/527492600.db2.gz VVWLTESHNZCIGW-SNVBAGLBSA-N -1 3 260.318 2.278 10 0 CEAEHM CCN1C[C@@H](c2ccc(F)c(F)c2)[C@H](C(=O)[O-])C1 ZINC000757193728 574512203 /nfs/dbraw/zinc/51/22/03/574512203.db2.gz VEFSHBJKUCSQNN-VHSXEESVSA-N -1 3 255.264 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291.376 2.121 10 0 CEAEHM CN(C)Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000085410829 179056544 /nfs/dbraw/zinc/05/65/44/179056544.db2.gz YPEIDARREACEQQ-STQMWFEESA-N -1 3 290.363 2.044 10 0 CEAEHM N[C@@H](CC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000085813877 179178110 /nfs/dbraw/zinc/17/81/10/179178110.db2.gz NQLUPGUBMUIGCP-AWEZNQCLSA-N -1 3 284.315 2.094 10 0 CEAEHM CC[C@H](C)N(Cc1ccccc1)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085838438 179183623 /nfs/dbraw/zinc/18/36/23/179183623.db2.gz XRCYGIASMLKLHN-GXTWGEPZSA-N -1 3 292.379 2.006 10 0 CEAEHM C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085840948 179184925 /nfs/dbraw/zinc/18/49/25/179184925.db2.gz LNQFEGBIIGWGPU-BXKDBHETSA-N -1 3 298.770 2.052 10 0 CEAEHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085838893 179185275 /nfs/dbraw/zinc/18/52/75/179185275.db2.gz QKMSTQKYYHZTMC-BXKDBHETSA-N -1 3 298.770 2.052 10 0 CEAEHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(N)cs2)[C@@H]1C ZINC000086069453 179224683 /nfs/dbraw/zinc/22/46/83/179224683.db2.gz CVASFSWHIGILCI-NQMVMOMDSA-N -1 3 274.411 2.043 10 0 CEAEHM Nc1nnc([N-]C(=O)c2ccc(Cl)s2)s1 ZINC000086476804 179300284 /nfs/dbraw/zinc/30/02/84/179300284.db2.gz ISNQGZDRSWSRHH-UHFFFAOYSA-N -1 3 260.731 2.088 10 0 CEAEHM CC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000086515802 179305753 /nfs/dbraw/zinc/30/57/53/179305753.db2.gz NELONHAMMZEFAS-ZCFIWIBFSA-N -1 3 296.175 2.249 10 0 CEAEHM CCC(CC)(CC)[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC000086642985 179315858 /nfs/dbraw/zinc/31/58/58/179315858.db2.gz MGNZYDCVKMKVBK-UHFFFAOYSA-N -1 3 291.804 2.377 10 0 CEAEHM COc1ccc(CN2CCCC[C@@H]2CC(=O)[O-])cc1O ZINC000086775191 179328172 /nfs/dbraw/zinc/32/81/72/179328172.db2.gz OJAVHBNYHVRNRG-GFCCVEGCSA-N -1 3 279.336 2.230 10 0 CEAEHM COc1ccc([C@@H](C)N2CC[C@H](C(=O)[O-])C2)cc1F ZINC000086789518 179334776 /nfs/dbraw/zinc/33/47/76/179334776.db2.gz YKZZEWRBVJJJJJ-KOLCDFICSA-N -1 3 267.300 2.302 10 0 CEAEHM CCc1cccc2c(CN3CC(C(=O)[O-])C3)c[nH]c21 ZINC000086810531 179340029 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179397852 /nfs/dbraw/zinc/39/78/52/179397852.db2.gz WGUPFTMCAIKYQH-UHFFFAOYSA-N -1 3 262.334 2.209 10 0 CEAEHM CC(C)(CN1CCN(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000011804740 535076528 /nfs/dbraw/zinc/07/65/28/535076528.db2.gz VNBGYQZTSMXTSN-UHFFFAOYSA-N -1 3 280.343 2.059 10 0 CEAEHM O=C([O-])c1ccccc1[C@H]1c2ccccc2CCN1CCO ZINC000616679707 348558877 /nfs/dbraw/zinc/55/88/77/348558877.db2.gz ZFVADHCOBVONMB-QGZVFWFLSA-N -1 3 297.354 2.325 10 0 CEAEHM CCN1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)C[C@@H]1C ZINC000091782569 180254709 /nfs/dbraw/zinc/25/47/09/180254709.db2.gz SHZTYINLOILQQG-QWRGUYRKSA-N -1 3 266.341 2.065 10 0 CEAEHM CC[C@@H](Oc1ccc(C)nc1CNCC(C)C)C(=O)[O-] ZINC000091996447 180302474 /nfs/dbraw/zinc/30/24/74/180302474.db2.gz NYCQEWGZYKGRHF-CYBMUJFWSA-N -1 3 280.368 2.378 10 0 CEAEHM Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC000091996771 180303042 /nfs/dbraw/zinc/30/30/42/180303042.db2.gz WREZTHNGDBEORU-RYUDHWBXSA-N -1 3 278.352 2.076 10 0 CEAEHM 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CCO[C@H](CN(C)[C@@H](C)c1cccs1)C(=O)[O-] ZINC000062753797 520514018 /nfs/dbraw/zinc/51/40/18/520514018.db2.gz RTTXSBQGPYJKKH-VHSXEESVSA-N -1 3 257.355 2.231 10 0 CEAEHM CCC[C@H](C)NC(=O)[C@@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925516 521047249 /nfs/dbraw/zinc/04/72/49/521047249.db2.gz BISBCDWPGNAAKY-BFHYXJOUSA-N -1 3 298.427 2.399 10 0 CEAEHM CCN(Cc1cn2cccc(C)c2n1)C[C@@H](C)C(=O)[O-] ZINC000061219701 521430240 /nfs/dbraw/zinc/43/02/40/521430240.db2.gz IBJIRIXKUKXZLO-GFCCVEGCSA-N -1 3 275.352 2.185 10 0 CEAEHM CCN1CCC[C@H]1CNc1ccc(C(=O)[O-])cc1F ZINC000054527493 521658728 /nfs/dbraw/zinc/65/87/28/521658728.db2.gz AEXSYVSRCXWLIV-NSHDSACASA-N -1 3 266.316 2.420 10 0 CEAEHM CC[C@H](C)NC(=O)[C@@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925447 523981615 /nfs/dbraw/zinc/98/16/15/523981615.db2.gz ADOSXJCINMAECQ-YNEHKIRRSA-N -1 3 284.400 2.009 10 0 CEAEHM C[C@@H](CN1CCCC1)NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000049153911 524589128 /nfs/dbraw/zinc/58/91/28/524589128.db2.gz YNMIOIRESDSIJQ-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/30/22/75/180302275.db2.gz FPQGYNSFTJJKSU-SNVBAGLBSA-N -1 3 266.341 2.130 10 0 CEAEHM CCN(CCSc1ccccc1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000092267276 180355430 /nfs/dbraw/zinc/35/54/30/180355430.db2.gz KKSQVJVQTOVQEF-KBPBESRZSA-N -1 3 295.404 2.200 10 0 CEAEHM O=c1[n-]c(Cc2cccnc2)nc2c1CCCCC2 ZINC000109521244 186258930 /nfs/dbraw/zinc/25/89/30/186258930.db2.gz GWBZIEPSFUNNBX-UHFFFAOYSA-N -1 3 255.321 2.025 10 0 CEAEHM CC[C@@H](C)N1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000110956733 186337039 /nfs/dbraw/zinc/33/70/39/186337039.db2.gz GVCOQDSXWAQDSM-LLVKDONJSA-N -1 3 282.409 2.362 10 0 CEAEHM CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCN1C ZINC000110761691 186323422 /nfs/dbraw/zinc/32/34/22/186323422.db2.gz XKRUZIZEVYOLRK-NSHDSACASA-N -1 3 282.771 2.212 10 0 CEAEHM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])NCC2 ZINC000004262533 361307862 /nfs/dbraw/zinc/30/78/62/361307862.db2.gz CPQONAPPQKFDJS-LBPRGKRZSA-N -1 3 279.336 2.146 10 0 CEAEHM COC(=O)c1cccc2c(=O)c(Br)c[n-]c12 ZINC000095705160 364393555 /nfs/dbraw/zinc/39/35/55/364393555.db2.gz UKPPHDNKJCBFJP-UHFFFAOYSA-N -1 3 282.093 2.077 10 0 CEAEHM C[C@H]1C[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000120171677 365384543 /nfs/dbraw/zinc/38/45/43/365384543.db2.gz CQLMYNUZRWRTNT-XVKPBYJWSA-N -1 3 299.168 2.362 10 0 CEAEHM CC(C)[C@@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000378656615 375146964 /nfs/dbraw/zinc/14/69/64/375146964.db2.gz BFXMILFVNNNDPI-JTQLQIEISA-N -1 3 254.355 2.462 10 0 CEAEHM Cc1noc([N-]Cc2cc(Br)co2)n1 ZINC000306218150 376544200 /nfs/dbraw/zinc/54/42/00/376544200.db2.gz LDMVEKCVUQKORQ-UHFFFAOYSA-N -1 3 258.075 2.346 10 0 CEAEHM C[C@H]1CCCN1c1cc2c(cc1Cl)C(=O)C(=O)[N-]2 ZINC000092772390 184626448 /nfs/dbraw/zinc/62/64/48/184626448.db2.gz OWASEZHDKYHJMX-ZETCQYMHSA-N -1 3 264.712 2.464 10 0 CEAEHM Cc1cc(C(=O)N[C@@H]2CCCCC[C@H]2O)ccc1[O-] ZINC000232368908 394481301 /nfs/dbraw/zinc/48/13/01/394481301.db2.gz MSQGSUMKLGZLDY-TZMCWYRMSA-N -1 3 263.337 2.124 10 0 CEAEHM CC(C)[C@@H](C)NC(=O)c1c[n-]c2ccccc2c1=O ZINC000048910585 394536804 /nfs/dbraw/zinc/53/68/04/394536804.db2.gz KBKVWRGVOYDADQ-SNVBAGLBSA-N -1 3 258.321 2.302 10 0 CEAEHM COC(=O)[C@H](NC(=O)c1cccc(C)c1[O-])c1ccccc1 ZINC000122100219 394808911 /nfs/dbraw/zinc/80/89/11/394808911.db2.gz XVLBUOGYRWHCTO-CQSZACIVSA-N -1 3 299.326 2.345 10 0 CEAEHM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([O-])cc2)[C@H](C)C1 ZINC000070116031 296735057 /nfs/dbraw/zinc/73/50/57/296735057.db2.gz MXFDZWTZUBJZSR-GYSYKLTISA-N -1 3 283.393 2.495 10 0 CEAEHM Cc1cccc(CNc2cccc3c(=O)[n-][nH]c(=O)c23)c1 ZINC000019915320 170924882 /nfs/dbraw/zinc/92/48/82/170924882.db2.gz ITHIRXLTYVXEJA-UHFFFAOYSA-N -1 3 281.315 2.137 10 0 CEAEHM C[C@@H](Nc1cccc2c(=O)[n-][nH]c(=O)c12)c1cccs1 ZINC000019915407 170924969 /nfs/dbraw/zinc/92/49/69/170924969.db2.gz QTEXPHGBNNQUIT-MRVPVSSYSA-N -1 3 287.344 2.451 10 0 CEAEHM CCOc1ccc(-n2cc3c(n2)c(=O)[n-]nc3C)cc1 ZINC000020272364 171127521 /nfs/dbraw/zinc/12/75/21/171127521.db2.gz LNZUKSNPBQDPKJ-UHFFFAOYSA-N -1 3 270.292 2.228 10 0 CEAEHM CC(C)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000020301739 171139598 /nfs/dbraw/zinc/13/95/98/171139598.db2.gz HCVLMCJMWZAGEY-QMMMGPOBSA-N -1 3 262.762 2.058 10 0 CEAEHM C[C@H](NS(=O)(=O)c1ccc([O-])cc1)c1ccco1 ZINC000035739772 172394351 /nfs/dbraw/zinc/39/43/51/172394351.db2.gz GBJXURCLZNHADC-VIFPVBQESA-N -1 3 267.306 2.025 10 0 CEAEHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(N)cc1 ZINC000037177428 173010366 /nfs/dbraw/zinc/01/03/66/173010366.db2.gz QJNDLONXQJYECB-SNVBAGLBSA-N -1 3 256.305 2.465 10 0 CEAEHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(N)cc1 ZINC000037177427 173010617 /nfs/dbraw/zinc/01/06/17/173010617.db2.gz QJNDLONXQJYECB-JTQLQIEISA-N -1 3 256.305 2.465 10 0 CEAEHM C[C@@](N)(C(=O)Nc1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000040479394 174283574 /nfs/dbraw/zinc/28/35/74/174283574.db2.gz PVOBWQYWAMVCGO-ZDUSSCGKSA-N -1 3 282.727 2.104 10 0 CEAEHM CC(C)(C)[C@H](N)C(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000040484808 174287891 /nfs/dbraw/zinc/28/78/91/174287891.db2.gz QEFUZHUISHEKAL-GFCCVEGCSA-N -1 3 298.770 2.131 10 0 CEAEHM CCN(CC)C(=O)c1cc(-c2ccc(C)cc2)nc(=O)[n-]1 ZINC000041189646 174508321 /nfs/dbraw/zinc/50/83/21/174508321.db2.gz AFJUPXZGSHORBG-UHFFFAOYSA-N -1 3 285.347 2.227 10 0 CEAEHM CCCNC(=O)c1cc(-c2ccc(F)c(C)c2)nc(=O)[n-]1 ZINC000041190553 174508738 /nfs/dbraw/zinc/50/87/38/174508738.db2.gz MJSJEQBOGMVJLS-UHFFFAOYSA-N -1 3 289.310 2.437 10 0 CEAEHM Cc1cc(=O)[n-]c(S[C@H](c2ccncc2)[C@@H](C)N)n1 ZINC000043363223 175024272 /nfs/dbraw/zinc/02/42/72/175024272.db2.gz FIFJJENGPVRRGX-SKDRFNHKSA-N -1 3 276.365 2.066 10 0 CEAEHM CCOc1ccc([C@H](C)N[C@@H](C)c2nn[n-]n2)cc1 ZINC000044888136 175271800 /nfs/dbraw/zinc/27/18/00/175271800.db2.gz ROGQAQJDRSKCND-UWVGGRQHSA-N -1 3 261.329 2.010 10 0 CEAEHM CC[C@@H](NCc1nn[n-]n1)c1cccc(Cl)c1 ZINC000044927863 175278013 /nfs/dbraw/zinc/27/80/13/175278013.db2.gz JWXQBEHJBRIIAM-SNVBAGLBSA-N -1 3 251.721 2.094 10 0 CEAEHM CC(C)Cc1ccc([C@H](C)NCc2nn[n-]n2)cc1 ZINC000044927932 175278182 /nfs/dbraw/zinc/27/81/82/175278182.db2.gz DJFKOWHTHYNLIC-NSHDSACASA-N -1 3 259.357 2.249 10 0 CEAEHM CC1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000045116563 175311129 /nfs/dbraw/zinc/31/11/29/175311129.db2.gz LYJQWBNNHUUMKI-VIFPVBQESA-N -1 3 292.763 2.138 10 0 CEAEHM Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)cc1N ZINC000070485536 175954629 /nfs/dbraw/zinc/95/46/29/175954629.db2.gz CMFCHTRGBSCZOY-UFBFGSQYSA-N -1 3 286.372 2.183 10 0 CEAEHM CCNC(C)(C)C(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171458 176051941 /nfs/dbraw/zinc/05/19/41/176051941.db2.gz DZQPDBNFMQGAGU-UHFFFAOYSA-N -1 3 264.325 2.020 10 0 CEAEHM O=C([O-])C1CN(CCOc2ccc3ccccc3c2)C1 ZINC000071173600 176053188 /nfs/dbraw/zinc/05/31/88/176053188.db2.gz FZWXEUQJVPNIAM-UHFFFAOYSA-N -1 3 271.316 2.235 10 0 CEAEHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1c[nH]ccc1=O ZINC000071221411 176087146 /nfs/dbraw/zinc/08/71/46/176087146.db2.gz IPJFAGVEZIVOTH-UHFFFAOYSA-N -1 3 298.751 2.138 10 0 CEAEHM CN1CCC(Oc2nc3ccccc3cc2C(=O)[O-])CC1 ZINC000071387086 176148019 /nfs/dbraw/zinc/14/80/19/176148019.db2.gz MRMDJFUXDICNEC-UHFFFAOYSA-N -1 3 286.331 2.406 10 0 CEAEHM C[C@@](N)(C(=O)Nc1ccc(C(=O)[O-])cc1Cl)C1CC1 ZINC000071392078 176148913 /nfs/dbraw/zinc/14/89/13/176148913.db2.gz GWFRVDBJYUYSQI-ZDUSSCGKSA-N -1 3 282.727 2.104 10 0 CEAEHM CN(C)CCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071394506 176149295 /nfs/dbraw/zinc/14/92/95/176149295.db2.gz JUEKVAQTMSMCSD-UHFFFAOYSA-N -1 3 299.758 2.064 10 0 CEAEHM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1Cl)N(C)C ZINC000071394313 176149385 /nfs/dbraw/zinc/14/93/85/176149385.db2.gz AINWXBXORAKZTE-QMMMGPOBSA-N -1 3 299.758 2.110 10 0 CEAEHM Nc1ccc(-c2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000071397970 176151821 /nfs/dbraw/zinc/15/18/21/176151821.db2.gz OGMWPJPMAJRPLZ-UHFFFAOYSA-N -1 3 255.199 2.038 10 0 CEAEHM [O-]c1cc2[nH]ccc2c(I)c1 ZINC000014983743 260084467 /nfs/dbraw/zinc/08/44/67/260084467.db2.gz AXWXUWTVKWLREV-UHFFFAOYSA-N -1 3 259.046 2.478 10 0 CEAEHM CCC[C@@](C)(N)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061564397 520917699 /nfs/dbraw/zinc/91/76/99/520917699.db2.gz NWRVYZFRDPFCDB-CYBMUJFWSA-N -1 3 286.278 2.119 10 0 CEAEHM CC[C@@H](C)N(CCOC)Cc1ccnc(C(=O)[O-])c1 ZINC000068763729 522093001 /nfs/dbraw/zinc/09/30/01/522093001.db2.gz WYFFCCMZXLJLGR-LLVKDONJSA-N -1 3 266.341 2.027 10 0 CEAEHM CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000049561785 519338259 /nfs/dbraw/zinc/33/82/59/519338259.db2.gz DSQNWDLPTAWGRK-SNVBAGLBSA-N -1 3 298.408 2.152 10 0 CEAEHM CCN(CC(=O)N(C)C1CCC(C)CC1)[C@@H](C)CC(=O)[O-] ZINC000061182495 520303425 /nfs/dbraw/zinc/30/34/25/520303425.db2.gz HOTJRPCICMNZNG-MOKVOYLWSA-N -1 3 298.427 2.209 10 0 CEAEHM CN[C@](COCCC(C)C)(C(=O)[O-])c1ccccc1 ZINC000045478685 522528599 /nfs/dbraw/zinc/52/85/99/522528599.db2.gz HKIDFERSLHFDPB-HNNXBMFYSA-N -1 3 265.353 2.249 10 0 CEAEHM CCn1c(=O)[n-]nc1Sc1cccc(F)c1C(C)=O ZINC000061595817 523096145 /nfs/dbraw/zinc/09/61/45/523096145.db2.gz LEYOXXQPARDVNY-UHFFFAOYSA-N -1 3 281.312 2.084 10 0 CEAEHM COCCN(C)Cc1ccc(F)c(/C=C/C(=O)[O-])c1 ZINC000049625687 523622462 /nfs/dbraw/zinc/62/24/62/523622462.db2.gz GDCSSDUVULFHEO-GQCTYLIASA-N -1 3 267.300 2.002 10 0 CEAEHM COc1ccc(CN(C)C2CC2)cc1/C=C/C(=O)[O-] ZINC000049626385 524003035 /nfs/dbraw/zinc/00/30/35/524003035.db2.gz CWOHTQBONZRRMD-XBXARRHUSA-N -1 3 261.321 2.387 10 0 CEAEHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccncc2N)c1 ZINC000062725958 524195381 /nfs/dbraw/zinc/19/53/81/524195381.db2.gz QKYIXEGZMVDDPH-UHFFFAOYSA-N -1 3 277.349 2.081 10 0 CEAEHM Cc1cc(N(C)C2CCN(C)CC2)ccc1C(=O)[O-] ZINC000050576075 525027031 /nfs/dbraw/zinc/02/70/31/525027031.db2.gz UVJLRTBXLPXGFP-UHFFFAOYSA-N -1 3 262.353 2.224 10 0 CEAEHM Cc1cnn([C@H]2CCCN(C(=O)c3cccc([O-])c3)C2)c1 ZINC000182390837 526268137 /nfs/dbraw/zinc/26/81/37/526268137.db2.gz HXKKTGSORPKVMS-AWEZNQCLSA-N -1 3 285.347 2.374 10 0 CEAEHM O=C([O-])[C@H]1CCC[C@@H]1N1CCN(Cc2ccccc2)CC1 ZINC000062750502 526325022 /nfs/dbraw/zinc/32/50/22/526325022.db2.gz MGRMGIVEPIFOKE-HOTGVXAUSA-N -1 3 288.391 2.058 10 0 CEAEHM O=C(Nc1ccc(CCO)cc1)c1ccc([O-])cc1 ZINC000048567651 527167548 /nfs/dbraw/zinc/16/75/48/527167548.db2.gz LNIWIOZQBONCIW-UHFFFAOYSA-N -1 3 257.289 2.179 10 0 CEAEHM O=c1c2ccsc2[n-]c(=S)n1CCN1CCCCC1 ZINC000049575384 527469071 /nfs/dbraw/zinc/46/90/71/527469071.db2.gz UBDONUMGLNMRAG-UHFFFAOYSA-N -1 3 295.433 2.233 10 0 CEAEHM CN1CCC(N2CCCc3c(C(=O)[O-])cccc32)CC1 ZINC000086739741 536340095 /nfs/dbraw/zinc/34/00/95/536340095.db2.gz CEUOHASUWHWDLN-UHFFFAOYSA-N -1 3 274.364 2.232 10 0 CEAEHM CCC[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])N(C)C ZINC000910981396 638210565 /nfs/dbraw/zinc/21/05/65/638210565.db2.gz ARMKHUZWOBJDLS-LLVKDONJSA-N -1 3 272.295 2.339 10 0 CEAEHM CCC[C@H](N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000232348580 639914649 /nfs/dbraw/zinc/91/46/49/639914649.db2.gz XVWQOXNQRQXWFX-VIFPVBQESA-N -1 3 251.261 2.381 10 0 CEAEHM CC(=O)c1cc(CCCNC(=O)OC(C)(C)C)ncc1[O-] ZINC000095773761 185028399 /nfs/dbraw/zinc/02/83/99/185028399.db2.gz JRZQJEQVTOHWBV-UHFFFAOYSA-N -1 3 294.351 2.447 10 0 CEAEHM CCOC(=O)c1ccc([O-])cc1OC(F)(F)F ZINC000096028844 185067682 /nfs/dbraw/zinc/06/76/82/185067682.db2.gz ISEHIMBNFJOBQB-UHFFFAOYSA-N -1 3 250.172 2.468 10 0 CEAEHM CCOC(=O)c1cc(-c2nn(CC)cc2C(F)F)n[n-]1 ZINC000725270564 539215249 /nfs/dbraw/zinc/21/52/49/539215249.db2.gz PHRMPLPLYIPHLF-UHFFFAOYSA-N -1 3 284.266 2.407 10 0 CEAEHM CCOC(=O)c1cc(-c2nn(CC)cc2C(F)F)[n-]n1 ZINC000725270564 539215250 /nfs/dbraw/zinc/21/52/50/539215250.db2.gz PHRMPLPLYIPHLF-UHFFFAOYSA-N -1 3 284.266 2.407 10 0 CEAEHM COc1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000039023866 343435381 /nfs/dbraw/zinc/43/53/81/343435381.db2.gz CYDRIKCRWOABFY-UHFFFAOYSA-N -1 3 282.303 2.454 10 0 CEAEHM COc1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000039023866 343435383 /nfs/dbraw/zinc/43/53/83/343435383.db2.gz CYDRIKCRWOABFY-UHFFFAOYSA-N -1 3 282.303 2.454 10 0 CEAEHM CC(C)N1C[C@H](C)[C@H](NC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000246339733 539319120 /nfs/dbraw/zinc/31/91/20/539319120.db2.gz GVMXIXNWQJNMFV-JOYOIKCWSA-N -1 3 298.333 2.129 10 0 CEAEHM O=c1[n-]ccnc1Oc1cccc(Br)c1 ZINC000162956881 344469436 /nfs/dbraw/zinc/46/94/36/344469436.db2.gz CYLYFJITDLRCRG-UHFFFAOYSA-N -1 3 267.082 2.325 10 0 CEAEHM O=C([O-])c1cnoc1CN1CCC[C@H]2CCC[C@H]21 ZINC000310631837 344730959 /nfs/dbraw/zinc/73/09/59/344730959.db2.gz NYFYDYGPHMUSHN-MWLCHTKSSA-N -1 3 250.298 2.137 10 0 CEAEHM CCOC(=O)c1cc(F)cc(Br)c1[O-] ZINC000306905383 344718427 /nfs/dbraw/zinc/71/84/27/344718427.db2.gz LAONNQBNEBFOLM-UHFFFAOYSA-N -1 3 263.062 2.471 10 0 CEAEHM CC(C)n1ccc(CN[C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000085167585 178961198 /nfs/dbraw/zinc/96/11/98/178961198.db2.gz HWROHNULGNYBJP-RYUDHWBXSA-N -1 3 265.357 2.197 10 0 CEAEHM CC(C)CCN(CCC(C)C)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085838770 179183901 /nfs/dbraw/zinc/18/39/01/179183901.db2.gz FJNXQPWXXGFSNA-ZDUSSCGKSA-N -1 3 286.416 2.099 10 0 CEAEHM CCCCCc1ccc(NC(=O)[C@H](N)CC(=O)[O-])cc1 ZINC000085817332 179179820 /nfs/dbraw/zinc/17/98/20/179179820.db2.gz DUKUFRYLMCHKLH-CYBMUJFWSA-N -1 3 278.352 2.160 10 0 CEAEHM CCc1ccc(CN2CCC(OCCC(=O)[O-])CC2)o1 ZINC000086773695 179326449 /nfs/dbraw/zinc/32/64/49/179326449.db2.gz MTLXOQXTIATCMF-UHFFFAOYSA-N -1 3 281.352 2.298 10 0 CEAEHM Cc1nc(C)c([C@H](C)N2CCC(OCC(=O)[O-])CC2)s1 ZINC000086773576 179326580 /nfs/dbraw/zinc/32/65/80/179326580.db2.gz SGYGDCTWVIWOGW-JTQLQIEISA-N -1 3 298.408 2.387 10 0 CEAEHM Cc1cc(CN2CCC(OCC(=O)[O-])CC2)c(C)s1 ZINC000086773553 179326905 /nfs/dbraw/zinc/32/69/05/179326905.db2.gz HOHFLSQHHAGRIF-UHFFFAOYSA-N -1 3 283.393 2.431 10 0 CEAEHM C[C@@H](c1cnccn1)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000086754966 179323260 /nfs/dbraw/zinc/32/32/60/179323260.db2.gz JQDLWFWESJHKFQ-NWDGAFQWSA-N -1 3 263.341 2.257 10 0 CEAEHM CCC1(C(=O)[O-])CCN([C@@H](C)c2cnn(C)c2)CC1 ZINC000086788832 179333877 /nfs/dbraw/zinc/33/38/77/179333877.db2.gz CAFKBHCGBRPMEQ-NSHDSACASA-N -1 3 265.357 2.058 10 0 CEAEHM COCCCc1noc(-c2ccc([O-])c(OC)c2)n1 ZINC000086972185 179370580 /nfs/dbraw/zinc/37/05/80/179370580.db2.gz IRLRBJQEFSFKCG-UHFFFAOYSA-N -1 3 264.281 2.030 10 0 CEAEHM O=c1[n-]c(CSC2CCCC2)nc2c1CCCN2 ZINC000087147281 179397313 /nfs/dbraw/zinc/39/73/13/179397313.db2.gz ZBEMBEAUEGOTQD-UHFFFAOYSA-N -1 3 265.382 2.304 10 0 CEAEHM CC[N-]S(=O)(=O)c1occc1-c1cccc(F)c1 ZINC000675053346 539653174 /nfs/dbraw/zinc/65/31/74/539653174.db2.gz GNSZQPOKHSFIPP-UHFFFAOYSA-N -1 3 269.297 2.384 10 0 CEAEHM CCCOc1ccc(CN(C)[C@H]2COC[C@@H]2C(=O)[O-])cc1 ZINC000090427541 179984935 /nfs/dbraw/zinc/98/49/35/179984935.db2.gz CFWIPERTWUPTND-GJZGRUSLSA-N -1 3 293.363 2.007 10 0 CEAEHM O=C([O-])C[C@H]1CN(CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000091295933 180124790 /nfs/dbraw/zinc/12/47/90/180124790.db2.gz QOOSHEHEOWTADY-RDVIWEACSA-N -1 3 293.407 2.378 10 0 CEAEHM Cc1cc(F)cc(N[C@]2(C(=O)[O-])CN3CCC2CC3)c1 ZINC000091515423 180177089 /nfs/dbraw/zinc/17/70/89/180177089.db2.gz SVLGNJGEIPOGTM-OAHLLOKOSA-N -1 3 278.327 2.095 10 0 CEAEHM COCCN(C)Cc1ccc(F)c(/C=C\C(=O)[O-])c1 ZINC000105221122 186046825 /nfs/dbraw/zinc/04/68/25/186046825.db2.gz GDCSSDUVULFHEO-XQRVVYSFSA-N -1 3 267.300 2.002 10 0 CEAEHM Nc1ccc(F)cc1SCc1cc(=O)c([O-])co1 ZINC000091940220 180289178 /nfs/dbraw/zinc/28/91/78/180289178.db2.gz NHZZSSZSQCMDBH-UHFFFAOYSA-N -1 3 267.281 2.359 10 0 CEAEHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1)c1nccs1 ZINC000106238748 186104783 /nfs/dbraw/zinc/10/47/83/186104783.db2.gz OTXYLYCGBFFDFN-QMMMGPOBSA-N -1 3 286.353 2.322 10 0 CEAEHM Cc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2)c(N)c1 ZINC000092348784 180367488 /nfs/dbraw/zinc/36/74/88/180367488.db2.gz KLRNRHJCDPSBCJ-UHFFFAOYSA-N -1 3 277.349 2.081 10 0 CEAEHM COc1ccc(CNC(=O)c2ccc([O-])cc2)c(OC)c1 ZINC000109555312 186262761 /nfs/dbraw/zinc/26/27/61/186262761.db2.gz YDOAAIPHVVLWEC-UHFFFAOYSA-N -1 3 287.315 2.339 10 0 CEAEHM O=C([O-])c1ccc(Cl)nc1OCCN1CCCCC1 ZINC000109598028 186265768 /nfs/dbraw/zinc/26/57/68/186265768.db2.gz TULJEHFXCMTCKO-UHFFFAOYSA-N -1 3 284.743 2.298 10 0 CEAEHM CCCOc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000109605760 186267952 /nfs/dbraw/zinc/26/79/52/186267952.db2.gz MLZKGWHVVUZDCT-UHFFFAOYSA-N -1 3 275.308 2.437 10 0 CEAEHM CCCOc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000109605760 186267954 /nfs/dbraw/zinc/26/79/54/186267954.db2.gz MLZKGWHVVUZDCT-UHFFFAOYSA-N -1 3 275.308 2.437 10 0 CEAEHM CCc1nc(-c2ccc(N(C)C)cc2)[n-]c(=O)c1C ZINC000110466400 186297139 /nfs/dbraw/zinc/29/71/39/186297139.db2.gz RXHMORTUIMIWTB-UHFFFAOYSA-N -1 3 257.337 2.374 10 0 CEAEHM Cc1cccc(Cc2nc(N)c(C(C)C)c(=O)[n-]2)c1 ZINC000110473129 186298183 /nfs/dbraw/zinc/29/81/83/186298183.db2.gz FWEJYEOKWKRBER-UHFFFAOYSA-N -1 3 257.337 2.375 10 0 CEAEHM CCCC[C@H](N)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000110988375 186340270 /nfs/dbraw/zinc/34/02/70/186340270.db2.gz ZPPLQGMVEXWQCH-LBPRGKRZSA-N -1 3 264.325 2.149 10 0 CEAEHM CC[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CCN1C ZINC000110760777 186322373 /nfs/dbraw/zinc/32/23/73/186322373.db2.gz SZXJUSNQXXTLKQ-CYBMUJFWSA-N -1 3 280.343 2.050 10 0 CEAEHM CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCN1C ZINC000110761688 186322696 /nfs/dbraw/zinc/32/26/96/186322696.db2.gz XKRUZIZEVYOLRK-LLVKDONJSA-N -1 3 282.771 2.212 10 0 CEAEHM CCN1CCN([C@@H](CC(=O)[O-])c2ccccc2)C[C@@H]1C ZINC000110760713 186323725 /nfs/dbraw/zinc/32/37/25/186323725.db2.gz IPNAZANOYJCSBT-ZFWWWQNUSA-N -1 3 276.380 2.228 10 0 CEAEHM CN1CCC[C@H](Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000111028801 186345834 /nfs/dbraw/zinc/34/58/34/186345834.db2.gz ZINUTTAMCRASHY-JTQLQIEISA-N -1 3 252.289 2.030 10 0 CEAEHM CCC([NH3+])(CC)c1nc(C(F)(F)F)c(C)c(=O)[n-]1 ZINC000111308124 186394257 /nfs/dbraw/zinc/39/42/57/186394257.db2.gz PSJBFHJXYALLGQ-UHFFFAOYSA-N -1 3 263.263 2.071 10 0 CEAEHM CCC(N)(CC)c1nc(C(F)(F)F)c(C)c(=O)[n-]1 ZINC000111308124 186394258 /nfs/dbraw/zinc/39/42/58/186394258.db2.gz PSJBFHJXYALLGQ-UHFFFAOYSA-N -1 3 263.263 2.071 10 0 CEAEHM COc1ccc(C(=O)[O-])cc1NC[C@H]1CCCCN1C ZINC000111311050 186394379 /nfs/dbraw/zinc/39/43/79/186394379.db2.gz DCRNLACXRALRNS-GFCCVEGCSA-N -1 3 278.352 2.290 10 0 CEAEHM CN(C)C[C@@H](NC(=O)CCCCC(=O)[O-])c1ccccc1 ZINC000037791978 540177508 /nfs/dbraw/zinc/17/75/08/540177508.db2.gz CQRXWRRUNFKJCF-CQSZACIVSA-N -1 3 292.379 2.051 10 0 CEAEHM [O-]c1cc(CO)c(Br)c(OC(F)F)c1 ZINC000575682138 366327477 /nfs/dbraw/zinc/32/74/77/366327477.db2.gz LJLYXGBIMRBRHQ-UHFFFAOYSA-N -1 3 269.041 2.248 10 0 CEAEHM C[C@H]1Cc2nc(N)[n-]c(=O)c2-c2cc(Cl)ccc21 ZINC000013832452 361444011 /nfs/dbraw/zinc/44/40/11/361444011.db2.gz YPAWQKKOSJEAHA-LURJTMIESA-N -1 3 261.712 2.332 10 0 CEAEHM C[C@H]1C[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000120171991 365384686 /nfs/dbraw/zinc/38/46/86/365384686.db2.gz CQLMYNUZRWRTNT-OIBJUYFYSA-N -1 3 299.168 2.362 10 0 CEAEHM CC(=O)Nc1ccc(F)c(NCc2ccc([O-])cn2)c1 ZINC000094209102 184762963 /nfs/dbraw/zinc/76/29/63/184762963.db2.gz XGSRZEVSTKWKPY-UHFFFAOYSA-N -1 3 275.283 2.497 10 0 CEAEHM C[C@H]1CC(CNC(=O)c2c([O-])cccc2O)C[C@H](C)O1 ZINC000281581870 195296751 /nfs/dbraw/zinc/29/67/51/195296751.db2.gz ZXOOWXXIPCWINV-UWVGGRQHSA-N -1 3 279.336 2.031 10 0 CEAEHM CSc1ccc2c(c1)NC(=O)[C@]2([O-])C(F)(F)F ZINC000205415640 395473045 /nfs/dbraw/zinc/47/30/45/395473045.db2.gz XSSTWAIOCDYENT-VIFPVBQESA-N -1 3 263.240 2.111 10 0 CEAEHM C[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc([O-])cc1 ZINC000230702929 153397266 /nfs/dbraw/zinc/39/72/66/153397266.db2.gz AQKZGKFFFWYYHK-MNOVXSKESA-N -1 3 269.366 2.107 10 0 CEAEHM C[C@H](C(=O)[O-])N(Cc1cccc(F)c1F)C1CC1 ZINC000263318024 154055839 /nfs/dbraw/zinc/05/58/39/154055839.db2.gz ICNULVLBYVTZCJ-MRVPVSSYSA-N -1 3 255.264 2.402 10 0 CEAEHM COc1ccc(F)c(CN2CCCC[C@H]2C(=O)[O-])c1 ZINC000263440757 154086646 /nfs/dbraw/zinc/08/66/46/154086646.db2.gz WLCLTPNHPQISMJ-ZDUSSCGKSA-N -1 3 267.300 2.273 10 0 CEAEHM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1O ZINC000007422249 170283691 /nfs/dbraw/zinc/28/36/91/170283691.db2.gz YWTZEMQQJGEIHN-UHFFFAOYSA-N -1 3 297.307 2.341 10 0 CEAEHM CC(C)c1ccc(S(=O)(=O)c2ccc(=O)[n-]n2)cc1 ZINC000021658377 171318605 /nfs/dbraw/zinc/31/86/05/171318605.db2.gz MNFXWLGNJNDFAA-UHFFFAOYSA-N -1 3 278.333 2.138 10 0 CEAEHM CCOC(=O)CSCC(=O)c1cc(F)ccc1[O-] ZINC000037352704 173146335 /nfs/dbraw/zinc/14/63/35/173146335.db2.gz VPVPMLYUEYPGKG-UHFFFAOYSA-N -1 3 272.297 2.010 10 0 CEAEHM COc1ccc2[n-]cc(C(=O)NCc3ccco3)c(=O)c2c1 ZINC000039962761 174179675 /nfs/dbraw/zinc/17/96/75/174179675.db2.gz GFWKHISSBXNLNV-UHFFFAOYSA-N -1 3 298.298 2.060 10 0 CEAEHM CCCC[C@@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000040483974 174287279 /nfs/dbraw/zinc/28/72/79/174287279.db2.gz LVYJZDXJIFYIJK-CYBMUJFWSA-N -1 3 292.379 2.320 10 0 CEAEHM CCC[C@@](C)(N)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484658 174288213 /nfs/dbraw/zinc/28/82/13/174288213.db2.gz LEQXHWSBCWKXTC-CQSZACIVSA-N -1 3 298.770 2.275 10 0 CEAEHM CCOC1CCN(CC(=O)c2cc(F)ccc2[O-])CC1 ZINC000040689769 174376213 /nfs/dbraw/zinc/37/62/13/174376213.db2.gz DEYAWJGQVVFRAD-UHFFFAOYSA-N -1 3 281.327 2.215 10 0 CEAEHM CC(C)(C)C[C@H](NCc1nn[n-]n1)c1ccccc1 ZINC000044929076 175278738 /nfs/dbraw/zinc/27/87/38/175278738.db2.gz UFFAJNMMCBSEHG-LBPRGKRZSA-N -1 3 259.357 2.467 10 0 CEAEHM CC(C)(C)C[C@H](NCc1nnn[n-]1)c1ccccc1 ZINC000044929076 175278739 /nfs/dbraw/zinc/27/87/39/175278739.db2.gz UFFAJNMMCBSEHG-LBPRGKRZSA-N -1 3 259.357 2.467 10 0 CEAEHM CCNc1nc(CSc2ccccc2)cc(=O)[n-]1 ZINC000058824057 175628564 /nfs/dbraw/zinc/62/85/64/175628564.db2.gz LFBPWTYSTSTZLH-UHFFFAOYSA-N -1 3 261.350 2.494 10 0 CEAEHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CC(C)C)cc1N ZINC000070485038 175954196 /nfs/dbraw/zinc/95/41/96/175954196.db2.gz FCBNIGIDWFINGF-JTQLQIEISA-N -1 3 288.388 2.429 10 0 CEAEHM CCCC[C@H](N)C(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171470 176051907 /nfs/dbraw/zinc/05/19/07/176051907.db2.gz BXVUIBPWUFXBCN-JTQLQIEISA-N -1 3 264.325 2.149 10 0 CEAEHM Cc1nc2cc([N-]S(C)(=O)=O)ccc2n1C(C)C ZINC000074985791 176646841 /nfs/dbraw/zinc/64/68/41/176646841.db2.gz DIEVUZVHRYYLOS-UHFFFAOYSA-N -1 3 267.354 2.297 10 0 CEAEHM COc1cc2n[n-]c(C=O)c2c(Br)c1 ZINC000014984131 277390065 /nfs/dbraw/zinc/39/00/65/277390065.db2.gz CEOAUAOKVADDKQ-UHFFFAOYSA-N -1 3 255.071 2.147 10 0 CEAEHM COC(=O)[C@@H](NC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000122100389 279777174 /nfs/dbraw/zinc/77/71/74/279777174.db2.gz NMUYDFJOIVCIDG-HNNXBMFYSA-N -1 3 299.326 2.345 10 0 CEAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H]2c2cnn(C)c2)n1 ZINC000248797891 301372550 /nfs/dbraw/zinc/37/25/50/301372550.db2.gz ZJAWLNCUXTZXNG-YPMHNXCESA-N -1 3 287.367 2.122 10 0 CEAEHM CC[C@@H](C)N1CCN(Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000055067779 522125071 /nfs/dbraw/zinc/12/50/71/522125071.db2.gz QWLZCVKHHGHPMR-LLVKDONJSA-N -1 3 280.368 2.202 10 0 CEAEHM CCO[C@@H](CCN(C)Cc1cccs1)C(=O)[O-] ZINC000062751851 520293462 /nfs/dbraw/zinc/29/34/62/520293462.db2.gz WQCQQCGDAMNOLX-NSHDSACASA-N -1 3 257.355 2.060 10 0 CEAEHM CCN(CC(=O)Nc1cc(C)ccc1C)C[C@@H](C)C(=O)[O-] ZINC000061218332 520354527 /nfs/dbraw/zinc/35/45/27/520354527.db2.gz YSPSKGSFIFRFSC-CYBMUJFWSA-N -1 3 292.379 2.285 10 0 CEAEHM CCC[C@@H](C)NC(=O)[C@@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925514 520657481 /nfs/dbraw/zinc/65/74/81/520657481.db2.gz BISBCDWPGNAAKY-MGPQQGTHSA-N -1 3 298.427 2.399 10 0 CEAEHM CN1CCC[C@H](Nc2c(F)cccc2C(=O)[O-])C1 ZINC000054189666 523844904 /nfs/dbraw/zinc/84/49/04/523844904.db2.gz AEVMRSNIOAGMEL-VIFPVBQESA-N -1 3 252.289 2.030 10 0 CEAEHM Cc1cccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1[O-] ZINC000151536009 524184104 /nfs/dbraw/zinc/18/41/04/524184104.db2.gz WTZBGELODNBCPP-AWEZNQCLSA-N -1 3 298.342 2.389 10 0 CEAEHM COc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)c(C)c1 ZINC000061565213 524691833 /nfs/dbraw/zinc/69/18/33/524691833.db2.gz ZNYHAGTYACFQTE-UHFFFAOYSA-N -1 3 292.360 2.387 10 0 CEAEHM Cc1ccc(N2CCN(CC(C)C)CC2)c(C(=O)[O-])c1 ZINC000055083294 524963392 /nfs/dbraw/zinc/96/33/92/524963392.db2.gz DTFNFLHKEDROFY-UHFFFAOYSA-N -1 3 276.380 2.471 10 0 CEAEHM O=C([O-])[C@@H]1CCC[C@H]1N1CCN(Cc2ccccc2)CC1 ZINC000062750503 526276570 /nfs/dbraw/zinc/27/65/70/526276570.db2.gz MGRMGIVEPIFOKE-HZPDHXFCSA-N -1 3 288.391 2.058 10 0 CEAEHM O=C([O-])[C@](COCC1CC1)(NC1CC1)c1ccccc1 ZINC000045504797 526337743 /nfs/dbraw/zinc/33/77/43/526337743.db2.gz VLOHNNZCEFAINB-MRXNPFEDSA-N -1 3 275.348 2.145 10 0 CEAEHM O=C([O-])c1cc2c(nc1NCCN1CCCC1)CCCC2 ZINC000054528658 526357126 /nfs/dbraw/zinc/35/71/26/526357126.db2.gz 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/nfs/dbraw/zinc/27/09/87/175270987.db2.gz CBYSZCLALONBMM-ZWNOBZJWSA-N -1 3 257.341 2.318 10 0 CEAEHM C[C@@H](N[C@@H]1CCCCc2ccccc21)c1nnn[n-]1 ZINC000044888438 175270988 /nfs/dbraw/zinc/27/09/88/175270988.db2.gz CBYSZCLALONBMM-ZWNOBZJWSA-N -1 3 257.341 2.318 10 0 CEAEHM C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1nn[n-]n1 ZINC000044888283 175271022 /nfs/dbraw/zinc/27/10/22/175271022.db2.gz RRCMXCNBIKLBTB-JGVFFNPUSA-N -1 3 251.721 2.265 10 0 CEAEHM c1csc(C[C@@H](NCc2nn[n-]n2)c2cccs2)c1 ZINC000044929093 175279253 /nfs/dbraw/zinc/27/92/53/175279253.db2.gz QDICTNTXQUALIZ-SNVBAGLBSA-N -1 3 291.405 2.396 10 0 CEAEHM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cnccc1Cl ZINC000071204508 176079040 /nfs/dbraw/zinc/07/90/40/176079040.db2.gz VQOGQYBHNDNFGJ-BDAKNGLRSA-N -1 3 276.789 2.448 10 0 CEAEHM Cc1ncsc1CN[C@@H](C)c1c(C)nc(C)[n-]c1=O ZINC000071212975 176084669 /nfs/dbraw/zinc/08/46/69/176084669.db2.gz MKTHPCHISRTMCM-QMMMGPOBSA-N -1 3 278.381 2.002 10 0 CEAEHM CC(C)c1cccc([N-]S(=O)(=O)c2c[nH]ccc2=O)c1 ZINC000071221752 176087705 /nfs/dbraw/zinc/08/77/05/176087705.db2.gz FVCYFGDLGBFKAD-UHFFFAOYSA-N -1 3 292.360 2.299 10 0 CEAEHM Nc1ccncc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000071227601 176090649 /nfs/dbraw/zinc/09/06/49/176090649.db2.gz AELHFYMNDZRBTM-UHFFFAOYSA-N -1 3 283.740 2.118 10 0 CEAEHM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])sc(=O)n1C ZINC000071539664 176195249 /nfs/dbraw/zinc/19/52/49/176195249.db2.gz BMOLNRXCXLAZEP-UHFFFAOYSA-N -1 3 298.751 2.367 10 0 CEAEHM COc1ccc([C@H](NC(C)C)C(=O)[O-])c(OC)c1C ZINC000076376683 177011615 /nfs/dbraw/zinc/01/16/15/177011615.db2.gz VGCWGXMMVDQRDP-LBPRGKRZSA-N -1 3 267.325 2.136 10 0 CEAEHM COC(=O)[C@]([O-])(c1c(C)[nH]c2ccccc21)C(F)(F)F ZINC000003653155 277143263 /nfs/dbraw/zinc/14/32/63/277143263.db2.gz QIOGKHBTRZZGKB-GFCCVEGCSA-N -1 3 287.237 2.399 10 0 CEAEHM CC(C)[C@@H]1CCCCN1Cc1oncc1C(=O)[O-] ZINC000395841654 329301628 /nfs/dbraw/zinc/30/16/28/329301628.db2.gz DDZBXMBGNNHSSX-NSHDSACASA-N -1 3 252.314 2.383 10 0 CEAEHM CCN(Cc1ccccc1OC)[C@H](C)CC(=O)[O-] ZINC000061182310 521386320 /nfs/dbraw/zinc/38/63/20/521386320.db2.gz HXMZJSGBZBCRDH-LLVKDONJSA-N -1 3 251.326 2.380 10 0 CEAEHM CC(C)(C)N1CCN(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000048946087 518714150 /nfs/dbraw/zinc/71/41/50/518714150.db2.gz KAIYYKXOVYSIAT-UHFFFAOYSA-N -1 3 281.429 2.196 10 0 CEAEHM CCN(CC(=O)N(CC)C1=CCCCC1)C[C@H](C)C(=O)[O-] ZINC000061221049 520308129 /nfs/dbraw/zinc/30/81/29/520308129.db2.gz OECDORULRJIGAR-ZDUSSCGKSA-N -1 3 296.411 2.335 10 0 CEAEHM CCN(CC(=O)Nc1cccc(C)c1C)C[C@@H](C)C(=O)[O-] ZINC000061221122 520363380 /nfs/dbraw/zinc/36/33/80/520363380.db2.gz CFKCWMVBWAKQOA-GFCCVEGCSA-N -1 3 292.379 2.285 10 0 CEAEHM CCN(CC)CCc1noc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000061811167 520714601 /nfs/dbraw/zinc/71/46/01/520714601.db2.gz ACYFRAYQDCPFHT-UHFFFAOYSA-N -1 3 289.335 2.319 10 0 CEAEHM CCN(Cc1cc(OC)ccc1OC)[C@H](C)CC(=O)[O-] ZINC000061183336 521292784 /nfs/dbraw/zinc/29/27/84/521292784.db2.gz KZALBIXKHIHCGG-LLVKDONJSA-N -1 3 281.352 2.389 10 0 CEAEHM CCc1nc(N2CCN(CC(C)C)CC2)sc1C(=O)[O-] ZINC000055076518 522385482 /nfs/dbraw/zinc/38/54/82/522385482.db2.gz NCIYLASTUFHYTD-UHFFFAOYSA-N -1 3 297.424 2.182 10 0 CEAEHM COc1ccc(/C=C/C(=O)[O-])cc1CN(C)C1CC1 ZINC000049626383 523395721 /nfs/dbraw/zinc/39/57/21/523395721.db2.gz XMIWBLYOKGQTMN-XBXARRHUSA-N -1 3 261.321 2.387 10 0 CEAEHM COC(=O)[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000050512821 523922292 /nfs/dbraw/zinc/92/22/92/523922292.db2.gz WTKRJQAGHLHPRA-CQSZACIVSA-N -1 3 285.299 2.036 10 0 CEAEHM Cc1cc(C)c(CN2CCN([C@H](C)C(=O)[O-])CC2)c(C)c1 ZINC000053300571 524260368 /nfs/dbraw/zinc/26/03/68/524260368.db2.gz PJOTVBXTLSOEHP-OAHLLOKOSA-N -1 3 290.407 2.203 10 0 CEAEHM C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc([O-])c1 ZINC000182554334 524303105 /nfs/dbraw/zinc/30/31/05/524303105.db2.gz JIQGKFBHKJOFCB-JTQLQIEISA-N -1 3 279.336 2.194 10 0 CEAEHM Cc1ccc([O-])c(C(=O)NCCOCC(C)C)c1 ZINC000055499243 525334663 /nfs/dbraw/zinc/33/46/63/525334663.db2.gz INXUZZPWHJNGCR-UHFFFAOYSA-N -1 3 251.326 2.103 10 0 CEAEHM Cc1ccc(S(=O)(=O)[N-]c2ccncc2N)cc1C ZINC000062725966 525617083 /nfs/dbraw/zinc/61/70/83/525617083.db2.gz XOYHRRJHQLIPHN-UHFFFAOYSA-N -1 3 277.349 2.081 10 0 CEAEHM Cc1ccc(C(=O)[O-])c(N[C@H]2CN3CCC2CC3)c1 ZINC000054527440 526233271 /nfs/dbraw/zinc/23/32/71/526233271.db2.gz YMVXWNVRYYVVGL-AWEZNQCLSA-N -1 3 260.337 2.199 10 0 CEAEHM Cc1ccc([C@@H]2CN(C)C[C@H]2C(=O)[O-])c(Br)c1 ZINC000757194083 574512181 /nfs/dbraw/zinc/51/21/81/574512181.db2.gz YBIFYPXLVFBSNV-WDEREUQCSA-N -1 3 298.180 2.487 10 0 CEAEHM CCN(CC)[C@@H]1CCCCn2nc(C(=O)[O-])cc21 ZINC000725273068 570263604 /nfs/dbraw/zinc/26/36/04/570263604.db2.gz QBSHTXLQFCJILE-LLVKDONJSA-N -1 3 251.330 2.148 10 0 CEAEHM CCN1CCC[C@H](Nc2nc(C)c(C(=O)[O-])s2)C1 ZINC000156018202 638604558 /nfs/dbraw/zinc/60/45/58/638604558.db2.gz WFERUFOBNDVKFC-VIFPVBQESA-N -1 3 269.370 2.046 10 0 CEAEHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000035358608 640463815 /nfs/dbraw/zinc/46/38/15/640463815.db2.gz DJCIMKADLZALSH-MRVPVSSYSA-N -1 3 262.762 2.058 10 0 CEAEHM Cc1ccc([C@H](C)NC(=O)c2nnc3ccccc3c2[O-])o1 ZINC000109938381 642996427 /nfs/dbraw/zinc/99/64/27/642996427.db2.gz OPCHAKQWKLYULR-JTQLQIEISA-N -1 3 297.314 2.316 10 0 CEAEHM CS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1 ZINC000306409289 539167834 /nfs/dbraw/zinc/16/78/34/539167834.db2.gz JVTOBKYIUSDEGM-UHFFFAOYSA-N -1 3 284.562 2.474 10 0 CEAEHM C[C@H](C(=O)[O-])N(Cc1cncc(Cl)c1)C1CC1 ZINC000621774172 349697292 /nfs/dbraw/zinc/69/72/92/349697292.db2.gz MGPHEGWKVQXHAJ-MRVPVSSYSA-N -1 3 254.717 2.173 10 0 CEAEHM CCc1cc2c(cc1Br)[N-]C(=O)C2=O ZINC000002529212 343352007 /nfs/dbraw/zinc/35/20/07/343352007.db2.gz DPIMGHMWCHNVJD-UHFFFAOYSA-N -1 3 254.083 2.146 10 0 CEAEHM CN(CCc1ccccc1C(=O)[O-])C[C@H]1CCCO1 ZINC000228513726 539345544 /nfs/dbraw/zinc/34/55/44/539345544.db2.gz XIBZEKPKIWXFGK-CYBMUJFWSA-N -1 3 263.337 2.038 10 0 CEAEHM O=c1cc(I)cc(Cl)[n-]1 ZINC000238701916 344608071 /nfs/dbraw/zinc/60/80/71/344608071.db2.gz PSEWSQSCDYUIBQ-UHFFFAOYSA-N -1 3 255.442 2.045 10 0 CEAEHM N[C@@H](CCC(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000085818504 179180721 /nfs/dbraw/zinc/18/07/21/179180721.db2.gz LJCZTYXLEXIBCA-VIFPVBQESA-N -1 3 291.134 2.124 10 0 CEAEHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cnccc2Cl)[C@@H]1C ZINC000086075269 179224909 /nfs/dbraw/zinc/22/49/09/179224909.db2.gz QBABLCFVTZNNAS-KKZNHRDASA-N -1 3 288.800 2.448 10 0 CEAEHM CCN(Cc1cccc(OC)c1OC)C[C@@H](C)C(=O)[O-] ZINC000086761084 179324167 /nfs/dbraw/zinc/32/41/67/179324167.db2.gz QAPBPKICXPITJK-LLVKDONJSA-N -1 3 281.352 2.246 10 0 CEAEHM C[C@H](c1ccc(O)cc1)N1CCC(OCCC(=O)[O-])CC1 ZINC000086773825 179326560 /nfs/dbraw/zinc/32/65/60/179326560.db2.gz ACMPYONLUOKDBS-GFCCVEGCSA-N -1 3 293.363 2.409 10 0 CEAEHM COc1cc(CN2CCC(C)(C(=O)[O-])CC2)ccc1O ZINC000086776485 179329238 /nfs/dbraw/zinc/32/92/38/179329238.db2.gz DGCKNZFYBZWYGD-UHFFFAOYSA-N -1 3 279.336 2.088 10 0 CEAEHM COc1ccc([C@H](C)N2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000086789454 179334788 /nfs/dbraw/zinc/33/47/88/179334788.db2.gz NGTKZSILTVBZNT-JQWIXIFHSA-N -1 3 279.336 2.171 10 0 CEAEHM CCn1nc(C)c([C@@H](C)N(C)CCCC(=O)[O-])c1C ZINC000086802029 179337694 /nfs/dbraw/zinc/33/76/94/179337694.db2.gz ULFLKTUBHLLNCP-LLVKDONJSA-N -1 3 267.373 2.377 10 0 CEAEHM COc1ccc(CN2CCC[C@H](CCC(=O)[O-])C2)cc1O ZINC000086809089 179340727 /nfs/dbraw/zinc/34/07/27/179340727.db2.gz KALHXQMXGAVWFI-GFCCVEGCSA-N -1 3 293.363 2.478 10 0 CEAEHM Cc1cccc(C(=O)NC[C@@]2(O)CCC[C@@H](C)C2)c1[O-] ZINC000087075022 179392556 /nfs/dbraw/zinc/39/25/56/179392556.db2.gz LQBMOPGOZIQUMH-BDJLRTHQSA-N -1 3 277.364 2.372 10 0 CEAEHM CCn1ccnc1CN[C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000087678541 179469660 /nfs/dbraw/zinc/46/96/60/179469660.db2.gz XNYJMRPVEMNPFY-NEPJUHHUSA-N -1 3 267.373 2.272 10 0 CEAEHM Cc1nc([C@@H]2COc3ccccc3C2)[n-]c(=O)c1C ZINC000088008447 179535222 /nfs/dbraw/zinc/53/52/22/179535222.db2.gz VQLILHXLSYKUOH-LBPRGKRZSA-N -1 3 256.305 2.105 10 0 CEAEHM CC(C)n1ncnc1CN[C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000088601972 179634536 /nfs/dbraw/zinc/63/45/36/179634536.db2.gz MHYNCNPSNGWGQT-NWDGAFQWSA-N -1 3 282.388 2.228 10 0 CEAEHM O=S(=O)(NC[C@@H]1Cc2ccccc21)c1ccc([O-])cc1 ZINC000090993702 180082052 /nfs/dbraw/zinc/08/20/52/180082052.db2.gz PGURMPHCVZNQSL-LBPRGKRZSA-N -1 3 289.356 2.010 10 0 CEAEHM C[C@@H](Cc1ccco1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133262 180102151 /nfs/dbraw/zinc/10/21/51/180102151.db2.gz GQSFEDMAKOTXQC-QWRGUYRKSA-N -1 3 269.366 2.103 10 0 CEAEHM CCc1nc([N-]c2cncc(C(=O)OC)n2)sc1C ZINC000091420342 180150971 /nfs/dbraw/zinc/15/09/71/180150971.db2.gz QGJUOHIBKQERAL-UHFFFAOYSA-N -1 3 278.337 2.334 10 0 CEAEHM CC[C@H]1Cc2c(Cl)c(OC)c(OC)cc2[C@H](C(=O)[O-])N1 ZINC000091543472 180185146 /nfs/dbraw/zinc/18/51/46/180185146.db2.gz XIPUAZALFYHPJY-JVXZTZIISA-N -1 3 299.754 2.407 10 0 CEAEHM Cc1cnc(Cl)nc1Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000091658042 180218882 /nfs/dbraw/zinc/21/88/82/180218882.db2.gz HODFDONMSLFNEZ-UHFFFAOYSA-N -1 3 288.694 2.066 10 0 CEAEHM CCCN1CCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000091780133 180252711 /nfs/dbraw/zinc/25/27/11/180252711.db2.gz XWXCRWOFCMRCEM-LLVKDONJSA-N -1 3 266.341 2.066 10 0 CEAEHM Cc1ccc(C(=O)N(C)C2CCC(=O)CC2)c([O-])c1 ZINC000091853253 180273343 /nfs/dbraw/zinc/27/33/43/180273343.db2.gz MLCXKUIVOQNMRZ-UHFFFAOYSA-N -1 3 261.321 2.284 10 0 CEAEHM Cc1cc([N-]S(=O)(=O)c2cc(N)cc(C)c2C)ccn1 ZINC000092348781 180366965 /nfs/dbraw/zinc/36/69/65/180366965.db2.gz FNOGNGXUIKOAGS-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM C[C@H](NC(=O)c1c[n-]nn1)c1cccc(Br)c1 ZINC000108453701 186217525 /nfs/dbraw/zinc/21/75/25/186217525.db2.gz UTNARRKHHSCHBN-ZETCQYMHSA-N -1 3 295.140 2.058 10 0 CEAEHM C[C@H](NC(=O)c1cnn[n-]1)c1cccc(Br)c1 ZINC000108453701 186217527 /nfs/dbraw/zinc/21/75/27/186217527.db2.gz UTNARRKHHSCHBN-ZETCQYMHSA-N -1 3 295.140 2.058 10 0 CEAEHM C[C@H](NC(=O)c1cn[n-]n1)c1cccc(Br)c1 ZINC000108453701 186217529 /nfs/dbraw/zinc/21/75/29/186217529.db2.gz UTNARRKHHSCHBN-ZETCQYMHSA-N -1 3 295.140 2.058 10 0 CEAEHM CN1CCC[C@@H](CNc2nc(Cl)ccc2C(=O)[O-])C1 ZINC000109599431 186265455 /nfs/dbraw/zinc/26/54/55/186265455.db2.gz MSDGNHPOLXVQOE-VIFPVBQESA-N -1 3 283.759 2.187 10 0 CEAEHM CCOC(=O)c1nc([C@@H]2CCCc3ccccc32)n[n-]1 ZINC000109605783 186267410 /nfs/dbraw/zinc/26/74/10/186267410.db2.gz RRQUEMYOIAHHJX-GFCCVEGCSA-N -1 3 271.320 2.450 10 0 CEAEHM CCOC(=O)c1nnc([C@@H]2CCCc3ccccc32)[n-]1 ZINC000109605783 186267411 /nfs/dbraw/zinc/26/74/11/186267411.db2.gz RRQUEMYOIAHHJX-GFCCVEGCSA-N -1 3 271.320 2.450 10 0 CEAEHM CCOC(=O)c1n[n-]c([C@@H]2CCCc3ccccc32)n1 ZINC000109605783 186267412 /nfs/dbraw/zinc/26/74/12/186267412.db2.gz RRQUEMYOIAHHJX-GFCCVEGCSA-N -1 3 271.320 2.450 10 0 CEAEHM O=c1cc(-c2cccs2)nc([C@H]2CCCCN2)[n-]1 ZINC000110465969 186296910 /nfs/dbraw/zinc/29/69/10/186296910.db2.gz PHMQAXIJPMQGMM-SECBINFHSA-N -1 3 261.350 2.313 10 0 CEAEHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(Cl)cc1N ZINC000111043100 186347680 /nfs/dbraw/zinc/34/76/80/186347680.db2.gz YABCWOUZSAOJHE-UHFFFAOYSA-N -1 3 297.767 2.426 10 0 CEAEHM O=C([O-])C1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000070459657 363086908 /nfs/dbraw/zinc/08/69/08/363086908.db2.gz NWEAZOZRONLPMI-ZDUSSCGKSA-N -1 3 283.755 2.170 10 0 CEAEHM Nc1cc([O-])c(Br)c(OC(F)F)c1 ZINC000575723684 366346832 /nfs/dbraw/zinc/34/68/32/366346832.db2.gz ZLTODWQVFUKBQI-UHFFFAOYSA-N -1 3 254.030 2.338 10 0 CEAEHM COC1c2cccc([O-])c2C(=O)c2c(O)cccc21 ZINC000013606532 361432193 /nfs/dbraw/zinc/43/21/93/361432193.db2.gz NIWZFLUOUFYTRK-UHFFFAOYSA-N -1 3 256.257 2.378 10 0 CEAEHM O=C(NCl)c1cccc2nc(C(F)(F)F)[n-]c21 ZINC000089195093 363947768 /nfs/dbraw/zinc/94/77/68/363947768.db2.gz CRYALIKYWVCALO-UHFFFAOYSA-N -1 3 263.606 2.465 10 0 CEAEHM O=C(NCl)c1cccc2[n-]c(C(F)(F)F)nc21 ZINC000089195093 363947774 /nfs/dbraw/zinc/94/77/74/363947774.db2.gz CRYALIKYWVCALO-UHFFFAOYSA-N -1 3 263.606 2.465 10 0 CEAEHM CC(C)=CCc1c([O-])cc2c(c1OC(C)=O)CNC2=O ZINC000089211059 363949016 /nfs/dbraw/zinc/94/90/16/363949016.db2.gz MTQPJOFSRLQZDQ-UHFFFAOYSA-N -1 3 275.304 2.070 10 0 CEAEHM CCC[C@H](C(=O)Nc1ccc(C)cc1[O-])N(C)C ZINC000159279426 366896472 /nfs/dbraw/zinc/89/64/72/366896472.db2.gz CKCUDHCSDXHBDO-GFCCVEGCSA-N -1 3 250.342 2.369 10 0 CEAEHM O=C([O-])[C@@H]1NCCc2c(Cl)cc(Br)cc21 ZINC000161119525 367059274 /nfs/dbraw/zinc/05/92/74/367059274.db2.gz JXFWYRYQGKZJTC-SECBINFHSA-N -1 3 290.544 2.374 10 0 CEAEHM Cc1csc(C(=O)[O-])c1NC(=O)[C@H](C)NC(C)C ZINC000504714173 379072993 /nfs/dbraw/zinc/07/29/93/379072993.db2.gz INVSCHQEZUKNSW-QMMMGPOBSA-N -1 3 270.354 2.080 10 0 CEAEHM CCN(c1cc2c(cc1Cl)C(=O)C(=O)[N-]2)C1CC1 ZINC000092772275 184626486 /nfs/dbraw/zinc/62/64/86/184626486.db2.gz ZHTZKLDUCFCOHN-UHFFFAOYSA-N -1 3 264.712 2.464 10 0 CEAEHM Cc1ccc(C(=O)N(C)C)cc1NCc1ccc([O-])cn1 ZINC000094209739 184763182 /nfs/dbraw/zinc/76/31/82/184763182.db2.gz DOCFSBUCDICNQV-UHFFFAOYSA-N -1 3 285.347 2.410 10 0 CEAEHM COc1ncccc1CNC[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000095009177 184914181 /nfs/dbraw/zinc/91/41/81/184914181.db2.gz XGUPHHAKUJESMU-DGCLKSJQSA-N -1 3 278.352 2.071 10 0 CEAEHM Cc1cc(C(=O)N2CCC[C@@H]2CCCO)ccc1[O-] ZINC000227042837 153337000 /nfs/dbraw/zinc/33/70/00/153337000.db2.gz RCHYBUMQJNOKLS-CYBMUJFWSA-N -1 3 263.337 2.078 10 0 CEAEHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000179746586 165287737 /nfs/dbraw/zinc/28/77/37/165287737.db2.gz ABVWPUILERMLDJ-CQSZACIVSA-N -1 3 299.374 2.456 10 0 CEAEHM O=c1[n-]c(=O)c(-c2ccccc2)c(Cc2ccccc2)[nH]1 ZINC000006580941 170215467 /nfs/dbraw/zinc/21/54/67/170215467.db2.gz YMWSCFLQZJUHPZ-UHFFFAOYSA-N -1 3 278.311 2.321 10 0 CEAEHM NCc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1F ZINC000020189209 171054086 /nfs/dbraw/zinc/05/40/86/171054086.db2.gz QFBPDKCKUVWSHW-UHFFFAOYSA-N -1 3 280.324 2.085 10 0 CEAEHM N[C@H](c1nc(-c2ccc([O-])cc2)no1)c1ccccc1 ZINC000021817168 171333043 /nfs/dbraw/zinc/33/30/43/171333043.db2.gz COANZTUTQIMVNM-ZDUSSCGKSA-N -1 3 267.288 2.490 10 0 CEAEHM CCOC(=O)c1nn[n-]c1-c1ccc(Cl)cc1 ZINC000022004914 171348780 /nfs/dbraw/zinc/34/87/80/171348780.db2.gz GIGFVCLIFWGYAJ-UHFFFAOYSA-N -1 3 251.673 2.302 10 0 CEAEHM CCOC(=O)c1[n-]nnc1-c1ccc(Cl)cc1 ZINC000022004914 171348781 /nfs/dbraw/zinc/34/87/81/171348781.db2.gz GIGFVCLIFWGYAJ-UHFFFAOYSA-N -1 3 251.673 2.302 10 0 CEAEHM CCOC(=O)c1n[n-]nc1-c1ccc(Cl)cc1 ZINC000022004914 171348782 /nfs/dbraw/zinc/34/87/82/171348782.db2.gz GIGFVCLIFWGYAJ-UHFFFAOYSA-N -1 3 251.673 2.302 10 0 CEAEHM Cc1ccc([N-]S(=O)(=O)c2ccc(NN)cc2)c(C)c1 ZINC000035354488 172145830 /nfs/dbraw/zinc/14/58/30/172145830.db2.gz FVZMMPZMZBHZPJ-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM Cc1oc(CN2CCCC[C@H]2CCO)cc1C(=O)[O-] ZINC000035432215 172200605 /nfs/dbraw/zinc/20/06/05/172200605.db2.gz SBLYUXXEVSLFKA-NSHDSACASA-N -1 3 267.325 2.023 10 0 CEAEHM C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccc(N)cc1 ZINC000037177402 173010610 /nfs/dbraw/zinc/01/06/10/173010610.db2.gz ATWCPWWAHPSWMN-SNVBAGLBSA-N -1 3 256.305 2.465 10 0 CEAEHM C[C@@H](NC(=O)c1ccccc1[O-])c1cccc(N)c1 ZINC000037177794 173011697 /nfs/dbraw/zinc/01/16/97/173011697.db2.gz MBCPDUYKXNHCJS-SNVBAGLBSA-N -1 3 256.305 2.465 10 0 CEAEHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(CN)s2)C1 ZINC000037257131 173067899 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ZINC000043327909 175009672 /nfs/dbraw/zinc/00/96/72/175009672.db2.gz JLXGNWMZQZWNPI-UHFFFAOYSA-N -1 3 288.303 2.244 10 0 CEAEHM CC(C)COc1ccc([C@@H](C)NCc2nn[n-]n2)cc1 ZINC000044928283 175278914 /nfs/dbraw/zinc/27/89/14/175278914.db2.gz VRPNVSCEXMHUCJ-LLVKDONJSA-N -1 3 275.356 2.085 10 0 CEAEHM Cc1cc(C)c(C(=O)[O-])c(NCc2ccnc(C)n2)n1 ZINC000045010803 175290050 /nfs/dbraw/zinc/29/00/50/175290050.db2.gz HFFHFMDWCMXOKJ-UHFFFAOYSA-N -1 3 272.308 2.107 10 0 CEAEHM O=C([O-])[C@@H]1CCC[C@@H](NCc2nc(-c3ccco3)no2)C1 ZINC000070570508 175986428 /nfs/dbraw/zinc/98/64/28/175986428.db2.gz CYZGQIVAXDFVPS-NXEZZACHSA-N -1 3 291.307 2.063 10 0 CEAEHM O=S(=O)([N-]C(C1CC1)C1CC1)c1cnccc1Cl ZINC000071204434 176079019 /nfs/dbraw/zinc/07/90/19/176079019.db2.gz OBKJYQXFWGIAQZ-UHFFFAOYSA-N -1 3 286.784 2.202 10 0 CEAEHM [O-]c1cccn2cc(-c3ccc4c(c3)OCO4)nc12 ZINC000071572071 176197826 /nfs/dbraw/zinc/19/78/26/176197826.db2.gz XPQXVZOEASPBPN-UHFFFAOYSA-N -1 3 254.245 2.436 10 0 CEAEHM CC[C@H]([N-]S(=O)(=O)c1cc(N)c(F)cc1F)C(C)C ZINC000049127267 522680319 /nfs/dbraw/zinc/68/03/19/522680319.db2.gz DTHKLHXDYRZWAF-NSHDSACASA-N -1 3 292.351 2.260 10 0 CEAEHM CCN(CC(=O)N(CC)C1=CCCC1)[C@H](C)CC(=O)[O-] ZINC000061183323 520307749 /nfs/dbraw/zinc/30/77/49/520307749.db2.gz OBFGONQOSKGCAS-GFCCVEGCSA-N -1 3 282.384 2.088 10 0 CEAEHM CCN(Cc1ncc(C)c(OC)c1C)[C@@H](C)CC(=O)[O-] ZINC000061182549 521460630 /nfs/dbraw/zinc/46/06/30/521460630.db2.gz QZEAGJJPQLHLCP-NSHDSACASA-N -1 3 280.368 2.392 10 0 CEAEHM CCCN(CCN(C)C)c1c(F)cc(C(=O)[O-])cc1F ZINC000062721596 521658412 /nfs/dbraw/zinc/65/84/12/521658412.db2.gz UYIZVUDJZHNWQS-UHFFFAOYSA-N -1 3 286.322 2.441 10 0 CEAEHM CCN(CC(=O)Nc1ccc(C)c(F)c1)C[C@H](C)C(=O)[O-] ZINC000061219574 520357223 /nfs/dbraw/zinc/35/72/23/520357223.db2.gz UZARYOZLTKSYBH-NSHDSACASA-N -1 3 296.342 2.115 10 0 CEAEHM CCO[C@H](CCN(C)Cc1ccccc1OC)C(=O)[O-] ZINC000062754629 520502485 /nfs/dbraw/zinc/50/24/85/520502485.db2.gz QADNZBYRHSOIQB-CQSZACIVSA-N -1 3 281.352 2.007 10 0 CEAEHM CCO[C@H](CN1CCc2sccc2[C@@H]1C)C(=O)[O-] ZINC000062753685 520519140 /nfs/dbraw/zinc/51/91/40/520519140.db2.gz PHYUMIFGCZANKK-GXSJLCMTSA-N -1 3 269.366 2.157 10 0 CEAEHM CN(Cc1cnn(C)c1)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000062755330 523516434 /nfs/dbraw/zinc/51/64/34/523516434.db2.gz YCCXMFHCLZKRND-AWEZNQCLSA-N -1 3 273.336 2.068 10 0 CEAEHM CN1CCCC[C@H]1CNc1nc2c(cc1C(=O)[O-])CCC2 ZINC000054530539 523801045 /nfs/dbraw/zinc/80/10/45/523801045.db2.gz HNGTXEHAWQEECV-LBPRGKRZSA-N -1 3 289.379 2.165 10 0 CEAEHM COc1ccc(Cl)cc1CN[C@H](C(=O)[O-])C1CC1 ZINC000054523245 524212065 /nfs/dbraw/zinc/21/20/65/524212065.db2.gz BPBDHNZTBGQZAF-LBPRGKRZSA-N -1 3 269.728 2.301 10 0 CEAEHM C[C@H](CN1CCCCC1)n1ccnc1SCC(=O)[O-] ZINC000049502256 524335419 /nfs/dbraw/zinc/33/54/19/524335419.db2.gz LLNCECUSQQSSFC-LLVKDONJSA-N -1 3 283.397 2.107 10 0 CEAEHM C[C@H](CN1CCCCC1)Nc1ccc(C(=O)[O-])o1 ZINC000050909022 524336637 /nfs/dbraw/zinc/33/66/37/524336637.db2.gz ACXAGFKOMBJQSS-SNVBAGLBSA-N -1 3 252.314 2.264 10 0 CEAEHM C[C@H](CNc1ccc(C(=O)[O-])o1)N1CCCCC1 ZINC000050909418 524505052 /nfs/dbraw/zinc/50/50/52/524505052.db2.gz BSASQHVRJWELGT-SNVBAGLBSA-N -1 3 252.314 2.264 10 0 CEAEHM C[C@@H](CN1CCCC1)Nc1ccc(C(=O)[O-])cc1F ZINC000054531540 524595643 /nfs/dbraw/zinc/59/56/43/524595643.db2.gz WBNSZFBJNLVUJP-JTQLQIEISA-N -1 3 266.316 2.420 10 0 CEAEHM Cc1cc(C)nc(Sc2ccc3c(c2)[N-]C(=O)C3=O)n1 ZINC000051607530 524603916 /nfs/dbraw/zinc/60/39/16/524603916.db2.gz RHFPVBXMRZXUMO-UHFFFAOYSA-N -1 3 285.328 2.379 10 0 CEAEHM Cc1cc(CC[N-]S(=O)(=O)c2cccs2)c(C)[nH]1 ZINC000062576675 524645603 /nfs/dbraw/zinc/64/56/03/524645603.db2.gz YTDIKTRZRFWNLN-UHFFFAOYSA-N -1 3 284.406 2.214 10 0 CEAEHM CSCC[C@@H](C)N(C)S(=O)(=O)c1ccc([O-])cc1 ZINC000161729800 525527150 /nfs/dbraw/zinc/52/71/50/525527150.db2.gz VAVCMLRICHZOCT-SNVBAGLBSA-N -1 3 289.422 2.154 10 0 CEAEHM O=C(c1cccc([O-])c1)N1CCO[C@H](c2nccs2)C1 ZINC000182418023 526769813 /nfs/dbraw/zinc/76/98/13/526769813.db2.gz IAYNULKQDNCNAH-LBPRGKRZSA-N -1 3 290.344 2.062 10 0 CEAEHM NC[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000061612391 527223765 /nfs/dbraw/zinc/22/37/65/527223765.db2.gz PWMGLXARBQQOAK-AWEZNQCLSA-N -1 3 284.315 2.066 10 0 CEAEHM NC[C@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000061612447 527225462 /nfs/dbraw/zinc/22/54/62/527225462.db2.gz HEGAJWKKCSIAME-ZDUSSCGKSA-N -1 3 284.315 2.066 10 0 CEAEHM Nc1nc(-c2nc(-c3ccc([O-])cc3)no2)cs1 ZINC000055189437 527542056 /nfs/dbraw/zinc/54/20/56/527542056.db2.gz IHTJVCGYVUDING-UHFFFAOYSA-N -1 3 260.278 2.148 10 0 CEAEHM Cn1ncc2c1CCC[C@@H]2N[C@@H](C(=O)[O-])c1ccccc1 ZINC000050509496 527578861 /nfs/dbraw/zinc/57/88/61/527578861.db2.gz MOVGIWNTKGHDFY-DZGCQCFKSA-N -1 3 285.347 2.213 10 0 CEAEHM O=C([O-])[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000050507852 527655088 /nfs/dbraw/zinc/65/50/88/527655088.db2.gz YKAJAVKZUBNXBZ-HNNXBMFYSA-N -1 3 285.299 2.331 10 0 CEAEHM CC(=O)N[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179691642 641373841 /nfs/dbraw/zinc/37/38/41/641373841.db2.gz VPGNZESLLHXMDK-LBPRGKRZSA-N -1 3 282.771 2.146 10 0 CEAEHM CC(=O)c1c([O-])cncc1CCCNC(=O)OC(C)(C)C ZINC000095773746 185027921 /nfs/dbraw/zinc/02/79/21/185027921.db2.gz WVQJFRGTXYEONO-UHFFFAOYSA-N -1 3 294.351 2.447 10 0 CEAEHM CCOc1ccc(CN2CCC[C@H]2C(=O)[O-])cc1F ZINC000082573701 178113283 /nfs/dbraw/zinc/11/32/83/178113283.db2.gz WGOXAMKLMGMJFL-LBPRGKRZSA-N -1 3 267.300 2.273 10 0 CEAEHM COc1cc(C(=O)CNCCc2ccccc2)ccc1[O-] ZINC000095934926 185033212 /nfs/dbraw/zinc/03/32/12/185033212.db2.gz MQNAVAQNNGSREV-UHFFFAOYSA-N -1 3 285.343 2.416 10 0 CEAEHM Cc1cnc([C@@H](C)NS(=O)(=O)c2ccc([O-])cc2)s1 ZINC000125312246 187179181 /nfs/dbraw/zinc/17/91/81/187179181.db2.gz AULRMXKOVUMSSM-SECBINFHSA-N -1 3 298.389 2.197 10 0 CEAEHM CC(C)[C@H](C)C(=O)NCCc1cc([O-])cc(F)c1 ZINC000725262797 539211604 /nfs/dbraw/zinc/21/16/04/539211604.db2.gz RUWWBXWHMUGFHN-JTQLQIEISA-N -1 3 253.317 2.482 10 0 CEAEHM O=C([O-])[C@@H]1NCCc2c(Br)cc(Cl)cc21 ZINC000126836433 344326704 /nfs/dbraw/zinc/32/67/04/344326704.db2.gz DFUVFGJGIOUIEG-SECBINFHSA-N -1 3 290.544 2.374 10 0 CEAEHM CC(=O)[N-]C(=O)c1ccc(C)c(Br)c1 ZINC000129699395 344346184 /nfs/dbraw/zinc/34/61/84/344346184.db2.gz AGAFLODDCSUTKQ-UHFFFAOYSA-N -1 3 256.099 2.034 10 0 CEAEHM S=c1[n-]c([C@H]2CCCO2)ncc1Br ZINC000236572334 344596636 /nfs/dbraw/zinc/59/66/36/344596636.db2.gz ITCHVRMBAJJQDQ-ZCFIWIBFSA-N -1 3 261.144 2.379 10 0 CEAEHM CC[C@@H](CSC)N(C)Cc1ncccc1C(=O)[O-] ZINC000385415552 344830299 /nfs/dbraw/zinc/83/02/99/344830299.db2.gz UYSZWGMBTZABFB-JTQLQIEISA-N -1 3 268.382 2.353 10 0 CEAEHM CCO[C@@H]1C[C@H](Nc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000085383751 179045726 /nfs/dbraw/zinc/04/57/26/179045726.db2.gz VHHHAOPVUMEMCA-QWHCGFSZSA-N -1 3 287.367 2.482 10 0 CEAEHM CCO[C@@H]1C[C@H](Nc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000085383751 179045728 /nfs/dbraw/zinc/04/57/28/179045728.db2.gz VHHHAOPVUMEMCA-QWHCGFSZSA-N -1 3 287.367 2.482 10 0 CEAEHM CCCCCN(CCCCC)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085839501 179185008 /nfs/dbraw/zinc/18/50/08/179185008.db2.gz NHWQKRLHEMLQMX-ZDUSSCGKSA-N -1 3 286.416 2.388 10 0 CEAEHM CCCCCN(CCCCC)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085839497 179185419 /nfs/dbraw/zinc/18/54/19/179185419.db2.gz NHWQKRLHEMLQMX-CYBMUJFWSA-N -1 3 286.416 2.388 10 0 CEAEHM Cc1cc(N[C@]2(C(=O)[O-])CCOC2)c2ccccc2n1 ZINC000085858056 179189826 /nfs/dbraw/zinc/18/98/26/179189826.db2.gz PMGKODYIBIWMGS-OAHLLOKOSA-N -1 3 272.304 2.199 10 0 CEAEHM C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([O-])cc2)[C@@H]1C ZINC000086079796 179226589 /nfs/dbraw/zinc/22/65/89/179226589.db2.gz FQRAZYUNVFJYDF-GIPNMCIBSA-N -1 3 269.366 2.105 10 0 CEAEHM O=C(Nc1ncccc1[O-])c1cccc2c1CCCN2 ZINC000128616846 187380563 /nfs/dbraw/zinc/38/05/63/187380563.db2.gz QTMXDOBNOQTASW-UHFFFAOYSA-N -1 3 269.304 2.398 10 0 CEAEHM C[C@H](N[C@@H](C(=O)[O-])C1CC1)c1c(F)cccc1F ZINC000086758857 179324186 /nfs/dbraw/zinc/32/41/86/179324186.db2.gz SLZYRYOZGSCPAH-JVXZTZIISA-N -1 3 255.264 2.479 10 0 CEAEHM C[C@@H](N[C@@H](C(=O)[O-])C1CC1)c1c(F)cccc1F ZINC000086758859 179324251 /nfs/dbraw/zinc/32/42/51/179324251.db2.gz SLZYRYOZGSCPAH-JMCQJSRRSA-N -1 3 255.264 2.479 10 0 CEAEHM CCn1cc([C@@H](C)N2CCC(C)(C(=O)[O-])CC2)cn1 ZINC000086776957 179328492 /nfs/dbraw/zinc/32/84/92/179328492.db2.gz JYIFXLCRBQMNJU-LLVKDONJSA-N -1 3 265.357 2.151 10 0 CEAEHM O=C([O-])[C@@H]1CN([C@@H]2CCCCc3ccccc32)CCO1 ZINC000086805382 179338282 /nfs/dbraw/zinc/33/82/82/179338282.db2.gz OCWFVCPYXJPILN-CABCVRRESA-N -1 3 275.348 2.240 10 0 CEAEHM CCn1cc([C@H](C)N2CCC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000086783536 179332420 /nfs/dbraw/zinc/33/24/20/179332420.db2.gz FZHFBBUDOUIKDZ-SMDDNHRTSA-N -1 3 265.357 2.151 10 0 CEAEHM Cn1cc(CN2CC(CC(=O)[O-])C2)c2ccccc21 ZINC000086812390 179341219 /nfs/dbraw/zinc/34/12/19/179341219.db2.gz CSCKOBAJPUZPJO-UHFFFAOYSA-N -1 3 258.321 2.085 10 0 CEAEHM Cc1ccc(C(=O)NC[C@]2(O)CCC[C@H](C)C2)c([O-])c1 ZINC000087074568 179391774 /nfs/dbraw/zinc/39/17/74/179391774.db2.gz ROOPIFVILLGSSI-LRDDRELGSA-N -1 3 277.364 2.372 10 0 CEAEHM CCc1cc(=O)[n-]c(-c2cncc(Br)c2)n1 ZINC000087265584 179406290 /nfs/dbraw/zinc/40/62/90/179406290.db2.gz STLIBBIJWNEZAP-UHFFFAOYSA-N -1 3 280.125 2.157 10 0 CEAEHM Cc1cc(N[C@@H]2COC[C@@]2(C)C(=O)[O-])c2ccccc2n1 ZINC000090570972 180008045 /nfs/dbraw/zinc/00/80/45/180008045.db2.gz LBHOUKBSMVNUAX-GDBMZVCRSA-N -1 3 286.331 2.445 10 0 CEAEHM O=C(NC[C@@H]1Cc2ccccc21)c1ccc([O-])cc1 ZINC000090993584 180081886 /nfs/dbraw/zinc/08/18/86/180081886.db2.gz BSBJLXWQEPYNNH-ZDUSSCGKSA-N -1 3 253.301 2.462 10 0 CEAEHM Cc1c(N)nc(-c2cc(F)cc(Br)c2)[n-]c1=O ZINC000091330260 180135788 /nfs/dbraw/zinc/13/57/88/180135788.db2.gz KFGRSURGVSCBDT-UHFFFAOYSA-N -1 3 298.115 2.229 10 0 CEAEHM CC(C)C1CCC(N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000091298560 180125507 /nfs/dbraw/zinc/12/55/07/180125507.db2.gz NXOSRGWDENRPGY-RUXDESIVSA-N -1 3 269.385 2.377 10 0 CEAEHM COc1cc2c(c(Cl)c1OC)C[C@@H](C)N[C@H]2C(=O)[O-] ZINC000091543455 180184925 /nfs/dbraw/zinc/18/49/25/180184925.db2.gz YPJQJTGJPKGEKE-KSBSHMNSSA-N -1 3 285.727 2.017 10 0 CEAEHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(CC2CC2)CC1 ZINC000091781204 180253393 /nfs/dbraw/zinc/25/33/93/180253393.db2.gz LSVFQBKSEONUGW-LLVKDONJSA-N -1 3 278.352 2.066 10 0 CEAEHM Cc1ccc([O-])c(CNc2ccc(C(N)=O)c(Cl)c2)n1 ZINC000091994170 180300997 /nfs/dbraw/zinc/30/09/97/180300997.db2.gz FVGZULWUFXWDGJ-UHFFFAOYSA-N -1 3 291.738 2.460 10 0 CEAEHM Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000091996774 180302862 /nfs/dbraw/zinc/30/28/62/180302862.db2.gz WREZTHNGDBEORU-VXGBXAGGSA-N -1 3 278.352 2.076 10 0 CEAEHM CC(C)(C)N(CC(=O)[O-])Cc1cn2ccccc2n1 ZINC000092449608 180387989 /nfs/dbraw/zinc/38/79/89/180387989.db2.gz SRGBTADRELKAAB-UHFFFAOYSA-N -1 3 261.325 2.019 10 0 CEAEHM CCOC(=O)c1nc(Cc2cc(C)ccc2C)n[n-]1 ZINC000109605744 186267708 /nfs/dbraw/zinc/26/77/08/186267708.db2.gz DDSIXESXAFHNDD-UHFFFAOYSA-N -1 3 259.309 2.189 10 0 CEAEHM CCOC(=O)c1nnc(Cc2cc(C)ccc2C)[n-]1 ZINC000109605744 186267710 /nfs/dbraw/zinc/26/77/10/186267710.db2.gz DDSIXESXAFHNDD-UHFFFAOYSA-N -1 3 259.309 2.189 10 0 CEAEHM CCOC(=O)c1n[n-]c(Cc2cc(C)ccc2C)n1 ZINC000109605744 186267711 /nfs/dbraw/zinc/26/77/11/186267711.db2.gz DDSIXESXAFHNDD-UHFFFAOYSA-N -1 3 259.309 2.189 10 0 CEAEHM Cc1cnccc1[N-]S(=O)(=O)c1cccc(N)c1C ZINC000111043085 186347611 /nfs/dbraw/zinc/34/76/11/186347611.db2.gz GJGUJCPBUXTQGI-UHFFFAOYSA-N -1 3 277.349 2.081 10 0 CEAEHM COc1ccc([O-])c(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000070199053 363054161 /nfs/dbraw/zinc/05/41/61/363054161.db2.gz NDSYPPWQCGWXPK-ZDUSSCGKSA-N -1 3 285.299 2.264 10 0 CEAEHM COC(=O)[C@@]([O-])(c1c(C)[nH]c2ccccc21)C(F)(F)F ZINC000003653157 361288102 /nfs/dbraw/zinc/28/81/02/361288102.db2.gz QIOGKHBTRZZGKB-LBPRGKRZSA-N -1 3 287.237 2.399 10 0 CEAEHM CCc1ccc([O-])c(C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000195451027 370132281 /nfs/dbraw/zinc/13/22/81/370132281.db2.gz INDQIVIINHDYDM-CQSZACIVSA-N -1 3 288.391 2.265 10 0 CEAEHM C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([O-])cc2)[C@H]1C ZINC000252197336 296442012 /nfs/dbraw/zinc/44/20/12/296442012.db2.gz SOZNKIDELZCGIS-UHIISALHSA-N -1 3 283.393 2.495 10 0 CEAEHM CCc1nc(C(=O)Nc2cc(Cl)ccc2F)n[n-]1 ZINC000095050319 184925186 /nfs/dbraw/zinc/92/51/86/184925186.db2.gz RWYOSRRPPYTITN-UHFFFAOYSA-N -1 3 268.679 2.412 10 0 CEAEHM CC(C)C[C@@H](N)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000040484242 134862516 /nfs/dbraw/zinc/86/25/16/134862516.db2.gz BNZAFFNBMAEZLL-CYBMUJFWSA-N -1 3 290.363 2.037 10 0 CEAEHM C[C@@H](C(=O)[O-])[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000093036300 135078500 /nfs/dbraw/zinc/07/85/00/135078500.db2.gz QHABNMGRPYRTJY-NEPJUHHUSA-N -1 3 280.343 2.057 10 0 CEAEHM CCCOC(=O)c1ccc([N-]S(=O)(=O)CC)cc1 ZINC000005923440 170155947 /nfs/dbraw/zinc/15/59/47/170155947.db2.gz HUQGDWXBSYZUHD-UHFFFAOYSA-N -1 3 271.338 2.015 10 0 CEAEHM COc1ccc([C@H](C)N2CCC[C@@H]2C(=O)[O-])cc1F ZINC000006929739 170256208 /nfs/dbraw/zinc/25/62/08/170256208.db2.gz XHQDOPJOWDWNHV-JOYOIKCWSA-N -1 3 267.300 2.444 10 0 CEAEHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC1CCCCC1 ZINC000020514091 171231361 /nfs/dbraw/zinc/23/13/61/171231361.db2.gz XNEKFMYVOMKGDJ-UHFFFAOYSA-N -1 3 286.339 2.321 10 0 CEAEHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC1CCCCC1 ZINC000020514091 171231362 /nfs/dbraw/zinc/23/13/62/171231362.db2.gz XNEKFMYVOMKGDJ-UHFFFAOYSA-N -1 3 286.339 2.321 10 0 CEAEHM NCc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000022149336 171358036 /nfs/dbraw/zinc/35/80/36/171358036.db2.gz HEDJCNVAKNPHEO-UHFFFAOYSA-N -1 3 280.324 2.085 10 0 CEAEHM Cc1oc(-c2cccs2)nc1CN[C@@H](C)C(=O)[O-] ZINC000035386994 172168752 /nfs/dbraw/zinc/16/87/52/172168752.db2.gz QSXDZQHCGQMSGO-ZETCQYMHSA-N -1 3 266.322 2.274 10 0 CEAEHM CCCOc1ccc(C(=O)[O-])c(OCCN(C)C)c1 ZINC000035414301 172187784 /nfs/dbraw/zinc/18/77/84/172187784.db2.gz RHJSEHGFGSCCOP-UHFFFAOYSA-N -1 3 267.325 2.114 10 0 CEAEHM CCc1nc2onc(-c3cccc(F)c3)c2c(=O)[n-]1 ZINC000035475868 172220357 /nfs/dbraw/zinc/22/03/57/172220357.db2.gz KJPMJAHSTQKWDH-UHFFFAOYSA-N -1 3 259.240 2.280 10 0 CEAEHM CCC[C@](C)(N)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000040483975 174287298 /nfs/dbraw/zinc/28/72/98/174287298.db2.gz NJWFDYGZMPUXKO-INIZCTEOSA-N -1 3 292.379 2.320 10 0 CEAEHM COC1CCN(Cc2sccc2/C=C/C(=O)[O-])CC1 ZINC000043685512 175094105 /nfs/dbraw/zinc/09/41/05/175094105.db2.gz SXQZQUPSPCYQIE-NSCUHMNNSA-N -1 3 281.377 2.457 10 0 CEAEHM CC[C@@H](NCc1nn[n-]n1)c1cccc(Br)c1 ZINC000044928936 175278719 /nfs/dbraw/zinc/27/87/19/175278719.db2.gz SUGQPGTUZLRARB-SNVBAGLBSA-N -1 3 296.172 2.203 10 0 CEAEHM CCCCC[N-]S(=O)(=O)c1cc(N)c(C)cc1F ZINC000070484936 175954104 /nfs/dbraw/zinc/95/41/04/175954104.db2.gz AYTMRVVEKWQRBO-UHFFFAOYSA-N -1 3 274.361 2.185 10 0 CEAEHM CN(C)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000071140096 176038284 /nfs/dbraw/zinc/03/82/84/176038284.db2.gz XMRQNYRMQLZJAB-CYBMUJFWSA-N -1 3 284.359 2.322 10 0 CEAEHM CC[C@@H](C)NCC(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171522 176052031 /nfs/dbraw/zinc/05/20/31/176052031.db2.gz WOJNZXAQCWNPMD-SNVBAGLBSA-N -1 3 264.325 2.020 10 0 CEAEHM CC1([N-]S(=O)(=O)c2cnccc2Cl)CCCC1 ZINC000071204480 176079175 /nfs/dbraw/zinc/07/91/75/176079175.db2.gz DDHMDFDSFMDUCW-UHFFFAOYSA-N -1 3 274.773 2.346 10 0 CEAEHM CCN(Cc1ccc(F)cc1C(=O)[O-])[C@H](C)COC ZINC000071264872 176097793 /nfs/dbraw/zinc/09/77/93/176097793.db2.gz MTSJGIAUHLZEJH-SNVBAGLBSA-N -1 3 269.316 2.381 10 0 CEAEHM CN1CCC[C@@H](Nc2nc3ccccc3cc2C(=O)[O-])C1 ZINC000071386766 176147842 /nfs/dbraw/zinc/14/78/42/176147842.db2.gz WMKOKXZIOQZYJK-GFCCVEGCSA-N -1 3 285.347 2.439 10 0 CEAEHM C[C@@H]1Oc2ccc(-c3cn4cccc([O-])c4n3)cc2NC1=O ZINC000071572041 176198030 /nfs/dbraw/zinc/19/80/30/176198030.db2.gz ABBOGOYRFQOWBF-VIFPVBQESA-N -1 3 295.298 2.426 10 0 CEAEHM CCO[C@@H](CCN(C)Cc1ccsc1)C(=O)[O-] ZINC000062751933 520291457 /nfs/dbraw/zinc/29/14/57/520291457.db2.gz MDBMQAUYTYDFNZ-NSHDSACASA-N -1 3 257.355 2.060 10 0 CEAEHM CCCN1CCN(c2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000050576118 519860112 /nfs/dbraw/zinc/86/01/12/519860112.db2.gz ZQXNLQDFLPYHPR-UHFFFAOYSA-N -1 3 262.353 2.225 10 0 CEAEHM CCNC(C)(C)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000061298027 519904477 /nfs/dbraw/zinc/90/44/77/519904477.db2.gz GNQGEVCBCJDLFV-UHFFFAOYSA-N -1 3 290.363 2.052 10 0 CEAEHM CCN(CC(=O)Nc1ccc(C)c(C)c1)[C@@H](C)CC(=O)[O-] ZINC000061183555 520356918 /nfs/dbraw/zinc/35/69/18/520356918.db2.gz ONUMXNLAFFIPGN-ZDUSSCGKSA-N -1 3 292.379 2.427 10 0 CEAEHM CCN(CC(=O)Nc1cccc(C)c1C)[C@H](C)CC(=O)[O-] ZINC000061183537 520363808 /nfs/dbraw/zinc/36/38/08/520363808.db2.gz XYFCXMBUVMCWKI-GFCCVEGCSA-N -1 3 292.379 2.427 10 0 CEAEHM CCCc1nc(N(C)C2CCN(C)CC2)sc1C(=O)[O-] ZINC000054967890 521529831 /nfs/dbraw/zinc/52/98/31/521529831.db2.gz CJEMMDLFQPXCPQ-UHFFFAOYSA-N -1 3 297.424 2.324 10 0 CEAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(N)c(F)cc1F)C(C)C ZINC000049127269 522902015 /nfs/dbraw/zinc/90/20/15/522902015.db2.gz DTHKLHXDYRZWAF-LLVKDONJSA-N -1 3 292.351 2.260 10 0 CEAEHM CCn1c(=O)[n-]nc1Sc1ccc(F)cc1[C@H](C)NC ZINC000061595854 523096659 /nfs/dbraw/zinc/09/66/59/523096659.db2.gz FOGVUJBFUCYOMU-QMMMGPOBSA-N -1 3 296.371 2.162 10 0 CEAEHM CCn1ccnc1NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000061609681 523550481 /nfs/dbraw/zinc/55/04/81/523550481.db2.gz MMLYCAAOSRRSKF-GFCCVEGCSA-N -1 3 259.309 2.183 10 0 CEAEHM COCCN(C)CCNc1ccc(C(=O)[O-])cc1Cl ZINC000062796323 523612920 /nfs/dbraw/zinc/61/29/20/523612920.db2.gz AYKXRWBEJIPTGI-UHFFFAOYSA-N -1 3 286.759 2.028 10 0 CEAEHM COc1nc(Cl)nc(Oc2ccccc2[O-])n1 ZINC000061514783 524976337 /nfs/dbraw/zinc/97/63/37/524976337.db2.gz DTHANZJUUIPYKR-UHFFFAOYSA-N -1 3 253.645 2.032 10 0 CEAEHM COc1ccc(O[C@@H](C)C(=O)[O-])c(CNC(C)(C)C)c1 ZINC000062727587 524982236 /nfs/dbraw/zinc/98/22/36/524982236.db2.gz WHSCVTJVKFRLSZ-JTQLQIEISA-N -1 3 281.352 2.435 10 0 CEAEHM Cc1ccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC000151542365 526128977 /nfs/dbraw/zinc/12/89/77/526128977.db2.gz GNCRAAZVBLUYFS-AWEZNQCLSA-N -1 3 298.342 2.389 10 0 CEAEHM O=C([O-])c1ccc(NCCN2CCCC2)c(F)c1 ZINC000054528661 526378918 /nfs/dbraw/zinc/37/89/18/526378918.db2.gz OCNQIIXWSGDGNI-UHFFFAOYSA-N -1 3 252.289 2.032 10 0 CEAEHM Cc1nc(NCc2ccc(F)cc2F)[n-]c(=O)c1C ZINC000057330986 526999263 /nfs/dbraw/zinc/99/92/63/526999263.db2.gz LPILVDCOGVVOSG-UHFFFAOYSA-N -1 3 265.263 2.277 10 0 CEAEHM OC[C@@H]([N-]c1noc(-c2ccccc2)n1)c1ccco1 ZINC000157787841 527583483 /nfs/dbraw/zinc/58/34/83/527583483.db2.gz VJDFOURDPIZTPU-LLVKDONJSA-N -1 3 271.276 2.475 10 0 CEAEHM CN1C[C@@H](C(=O)[O-])C=C2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000014583982 560222312 /nfs/dbraw/zinc/22/23/12/560222312.db2.gz ZAGRKAFMISFKIO-HZMBPMFUSA-N -1 3 268.316 2.122 10 0 in-vitro CEAEHM CCc1ncc([N-]S(=O)(=O)/C=C\c2ccccc2)cn1 ZINC000255753906 625443598 /nfs/dbraw/zinc/44/35/98/625443598.db2.gz GYKAJOGVZVPPIC-HJWRWDBZSA-N -1 3 289.360 2.452 10 0 CEAEHM CCC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000083166668 178348341 /nfs/dbraw/zinc/34/83/41/178348341.db2.gz LFGMKYKRKIRVSC-ZCFIWIBFSA-N -1 3 281.786 2.047 10 0 CEAEHM COc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000048194652 362249741 /nfs/dbraw/zinc/24/97/41/362249741.db2.gz XOOATVNRJJKSIY-UKRRQHHQSA-N -1 3 291.347 2.184 10 0 CEAEHM O=c1[n-]c(-c2cc(-c3cccc(Cl)c3)ncn2)no1 ZINC000118366430 344291330 /nfs/dbraw/zinc/29/13/30/344291330.db2.gz FLZMLLOJSLEWTD-UHFFFAOYSA-N -1 3 274.667 2.140 10 0 CEAEHM COC(=O)c1nc2c(cc(Br)cc2C)[n-]1 ZINC000129578078 344345179 /nfs/dbraw/zinc/34/51/79/344345179.db2.gz SBBJZJHYHCWXCH-UHFFFAOYSA-N -1 3 269.098 2.420 10 0 CEAEHM COC(=O)c1nc2cc(Br)cc(C)c2[n-]1 ZINC000129578078 344345182 /nfs/dbraw/zinc/34/51/82/344345182.db2.gz SBBJZJHYHCWXCH-UHFFFAOYSA-N -1 3 269.098 2.420 10 0 CEAEHM O=c1[n-]c(Br)ccc1OC(F)(F)F ZINC000238678574 344607573 /nfs/dbraw/zinc/60/75/73/344607573.db2.gz WJANMIULNRKBEJ-UHFFFAOYSA-N -1 3 257.993 2.448 10 0 CEAEHM CC(C)C[C@H]1CCN(Cc2oncc2C(=O)[O-])C1 ZINC000307812300 344724803 /nfs/dbraw/zinc/72/48/03/344724803.db2.gz JABVIRDYMAKTHD-SNVBAGLBSA-N -1 3 252.314 2.241 10 0 CEAEHM CN(CCc1cccs1)Cc1oncc1C(=O)[O-] ZINC000310633686 344730825 /nfs/dbraw/zinc/73/08/25/344730825.db2.gz PENNYNONQFOJJX-UHFFFAOYSA-N -1 3 266.322 2.109 10 0 CEAEHM CCn1nc2ccc(-n3ccc([O-])cc3=O)cc2c1C 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CCc1nn(C)c(CNC2CCC(C(=O)[O-])CC2)c1Cl ZINC000089322230 179769325 /nfs/dbraw/zinc/76/93/25/179769325.db2.gz WHKXKLHHMSDWJA-UHFFFAOYSA-N -1 3 299.802 2.369 10 0 CEAEHM C[C@@]1(C(=O)[O-])COC[C@H]1Nc1ccnc2ccccc21 ZINC000090571271 180007293 /nfs/dbraw/zinc/00/72/93/180007293.db2.gz DNXMDLZQZKGJJB-UKRRQHHQSA-N -1 3 272.304 2.136 10 0 CEAEHM O=C([O-])C[C@@H](NCc1cc[nH]c1)c1cccs1 ZINC000090994563 180082639 /nfs/dbraw/zinc/08/26/39/180082639.db2.gz MNIJTNGRVPTKDB-SNVBAGLBSA-N -1 3 250.323 2.382 10 0 CEAEHM CCc1ccc([C@H](C(=O)OC(C)(C)C)[C@H](N)C(=O)[O-])cc1 ZINC000091365396 180142538 /nfs/dbraw/zinc/14/25/38/180142538.db2.gz AXRUMHYJYZMKBE-STQMWFEESA-N -1 3 293.363 2.086 10 0 CEAEHM C[C@@H](CO)CSCC(=O)c1cc(F)ccc1[O-] ZINC000091257410 180115251 /nfs/dbraw/zinc/11/52/51/180115251.db2.gz VLCZMINGVZXSCY-QMMMGPOBSA-N -1 3 258.314 2.076 10 0 CEAEHM O=C([O-])C[C@@H]1CN([C@@H]2CCC[C@@H](C3CC3)C2)CCO1 ZINC000091298786 180125182 /nfs/dbraw/zinc/12/51/82/180125182.db2.gz QDANYFGQLZZVSY-MGPQQGTHSA-N -1 3 267.369 2.131 10 0 CEAEHM C[C@H]1Cc2ccc(OC(F)(F)F)cc2[C@H](C(=O)[O-])N1 ZINC000091545286 180186321 /nfs/dbraw/zinc/18/63/21/180186321.db2.gz METXIYBYAIHJTE-QUBYGPBYSA-N -1 3 275.226 2.245 10 0 CEAEHM Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000091996773 180302828 /nfs/dbraw/zinc/30/28/28/180302828.db2.gz WREZTHNGDBEORU-NWDGAFQWSA-N -1 3 278.352 2.076 10 0 CEAEHM CCN(CCSc1ccccc1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000092267272 180355841 /nfs/dbraw/zinc/35/58/41/180355841.db2.gz KKSQVJVQTOVQEF-UONOGXRCSA-N -1 3 295.404 2.200 10 0 CEAEHM O=c1c2sccc2[n-]c(=S)n1[C@H]1CCN(C2CC2)C1 ZINC000105988610 186096485 /nfs/dbraw/zinc/09/64/85/186096485.db2.gz OCFVLMGFPLILCQ-VIFPVBQESA-N -1 3 293.417 2.156 10 0 CEAEHM Cc1cc(N)cc(S(=O)(=O)[N-]c2ccnc(C)c2)c1 ZINC000092348778 180367532 /nfs/dbraw/zinc/36/75/32/180367532.db2.gz ZMDZFOSATHQKQL-UHFFFAOYSA-N -1 3 277.349 2.081 10 0 CEAEHM COc1ccc2c(c1)[C@@H](N1CC(CC(=O)[O-])C1)CCC2 ZINC000092390429 180375159 /nfs/dbraw/zinc/37/51/59/180375159.db2.gz 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OCKBMFCMXYHLQS-BDAKNGLRSA-N -1 3 269.728 2.079 10 0 CEAEHM Fc1ccc(F)c2c(I)n[n-]c21 ZINC000014986108 361463387 /nfs/dbraw/zinc/46/33/87/361463387.db2.gz TYGHMUGMVQEKTP-UHFFFAOYSA-N -1 3 280.015 2.446 10 0 CEAEHM Fc1ccc(F)c2c(I)[n-]nc21 ZINC000014986108 361463392 /nfs/dbraw/zinc/46/33/92/361463392.db2.gz TYGHMUGMVQEKTP-UHFFFAOYSA-N -1 3 280.015 2.446 10 0 CEAEHM COc1ccc(OC)c2c(=O)c(Br)c[n-]c12 ZINC000156974396 366840358 /nfs/dbraw/zinc/84/03/58/366840358.db2.gz KNEWQGDPDPRHAQ-UHFFFAOYSA-N -1 3 284.109 2.308 10 0 CEAEHM Cc1cccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c1[O-] ZINC000171486580 367552724 /nfs/dbraw/zinc/55/27/24/367552724.db2.gz ZNJALPUMXVACGD-AWEZNQCLSA-N -1 3 285.347 2.411 10 0 CEAEHM C[C@H]1CN(Cc2cc(=O)oc3cc([O-])ccc23)CCS1 ZINC000171700672 367598249 /nfs/dbraw/zinc/59/82/49/367598249.db2.gz VSEYJKGLJNOXNH-JTQLQIEISA-N -1 3 291.372 2.436 10 0 CEAEHM O=C(c1cc([O-])ccc1F)N1CCO[C@H]2CCCC[C@@H]21 ZINC000294430464 296184783 /nfs/dbraw/zinc/18/47/83/296184783.db2.gz 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/nfs/dbraw/zinc/11/89/43/130118943.db2.gz ZLKIFHVSLQEOFH-CQSZACIVSA-N -1 3 288.391 2.265 10 0 CEAEHM O=C1[N-]c2cc(N3CCSCC3)c(Cl)cc2C1=O ZINC000092772266 135077343 /nfs/dbraw/zinc/07/73/43/135077343.db2.gz PEFSERXCQMOCTG-UHFFFAOYSA-N -1 3 282.752 2.028 10 0 CEAEHM CCc1cc(Br)c([O-])c(-n2cnnc2)c1 ZINC000226281291 394470523 /nfs/dbraw/zinc/47/05/23/394470523.db2.gz GPZJXZGURGEJMF-UHFFFAOYSA-N -1 3 268.114 2.298 10 0 CEAEHM COc1cccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000048194640 286441502 /nfs/dbraw/zinc/44/15/02/286441502.db2.gz OWKSBECQCILVSM-QWHCGFSZSA-N -1 3 291.347 2.184 10 0 CEAEHM COC(=O)c1ccccc1C(=O)Nc1ccccc1[O-] ZINC000005660695 170125137 /nfs/dbraw/zinc/12/51/37/170125137.db2.gz DRSGIYIBCDBNFM-UHFFFAOYSA-N -1 3 271.272 2.431 10 0 CEAEHM COc1c2c(c(CC=C(C)C)c([O-])c1C)[C@@H](O)OC2=O ZINC000006068783 170173602 /nfs/dbraw/zinc/17/36/02/170173602.db2.gz REEGLVNJQGPQSY-AWEZNQCLSA-N -1 3 278.304 2.379 10 0 CEAEHM NCc1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC000020189310 171054630 /nfs/dbraw/zinc/05/46/30/171054630.db2.gz WAUGWFCFSZLRKL-UHFFFAOYSA-N -1 3 298.314 2.224 10 0 CEAEHM Cc1nc(SCCN2CCCC2)sc1CC(=O)[O-] ZINC000020253667 171106562 /nfs/dbraw/zinc/10/65/62/171106562.db2.gz QGLRXPJPZYDBJU-UHFFFAOYSA-N -1 3 286.422 2.267 10 0 CEAEHM C[C@H](O)CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000020875500 171277191 /nfs/dbraw/zinc/27/71/91/171277191.db2.gz XOYUASUMIHNMQN-JTQLQIEISA-N -1 3 275.304 2.115 10 0 CEAEHM Nc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000022175288 171369836 /nfs/dbraw/zinc/36/98/36/171369836.db2.gz OXJMSWIEOANZDH-UHFFFAOYSA-N -1 3 284.287 2.348 10 0 CEAEHM Cc1ccc([C@@H](C)N2CCN(CC(=O)[O-])CC2)c(C)c1 ZINC000022793511 171398843 /nfs/dbraw/zinc/39/88/43/171398843.db2.gz TZAYHAHKFOSRLT-CQSZACIVSA-N -1 3 276.380 2.067 10 0 CEAEHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(NN)cc1 ZINC000035354627 172145778 /nfs/dbraw/zinc/14/57/78/172145778.db2.gz CNAZBKKPLJUZDA-UHFFFAOYSA-N -1 3 295.339 2.221 10 0 CEAEHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2N)cc1 ZINC000037064670 172927765 /nfs/dbraw/zinc/92/77/65/172927765.db2.gz OSPAUTYBNVQGIB-UHFFFAOYSA-N -1 3 292.360 2.387 10 0 CEAEHM CSCCCNc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000037101740 172955003 /nfs/dbraw/zinc/95/50/03/172955003.db2.gz DHWXVCNWCGJYAH-UHFFFAOYSA-N -1 3 292.401 2.362 10 0 CEAEHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1N ZINC000037178198 173011186 /nfs/dbraw/zinc/01/11/86/173011186.db2.gz JJMYNHOGECWVBQ-SNVBAGLBSA-N -1 3 256.305 2.465 10 0 CEAEHM O=C([O-])[C@@H](NC1CC1)c1cc(Br)ccc1F ZINC000037183616 173015538 /nfs/dbraw/zinc/01/55/38/173015538.db2.gz JFNKCEVANKCVGH-JTQLQIEISA-N -1 3 288.116 2.466 10 0 CEAEHM CCN(C(=O)CN1CCCC[C@@H]1CC(=O)[O-])C1=CCCC1 ZINC000038027766 174013967 /nfs/dbraw/zinc/01/39/67/174013967.db2.gz XSZXMKQUMZTUGM-CQSZACIVSA-N -1 3 294.395 2.232 10 0 CEAEHM CC[C@H](C)[C@H](N)C(=O)N(CCCC(=O)[O-])c1ccccc1 ZINC000040484195 174287655 /nfs/dbraw/zinc/28/76/55/174287655.db2.gz CQOOPQSZPNQBIV-WFASDCNBSA-N -1 3 292.379 2.258 10 0 CEAEHM CC[C@H](C)NCC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000040484776 174288127 /nfs/dbraw/zinc/28/81/27/174288127.db2.gz QAUPQBPVBFLWHE-JTQLQIEISA-N -1 3 298.770 2.146 10 0 CEAEHM Nc1c(Oc2ccc3ccccc3c2)nc[n-]c1=O ZINC000040687872 174375999 /nfs/dbraw/zinc/37/59/99/174375999.db2.gz JSOCDAJOGUJMPY-UHFFFAOYSA-N -1 3 253.261 2.298 10 0 CEAEHM CN1CCC[C@@H](Nc2nc(C(=O)[O-])cc3ccccc32)C1 ZINC000040716211 174383079 /nfs/dbraw/zinc/38/30/79/174383079.db2.gz IDINHTVHZCAWAC-GFCCVEGCSA-N -1 3 285.347 2.439 10 0 CEAEHM CCCNCc1cc(OC)ccc1O[C@@H](C)C(=O)[O-] ZINC000043623974 175080955 /nfs/dbraw/zinc/08/09/55/175080955.db2.gz UCNRVAVYKIPWSF-JTQLQIEISA-N -1 3 267.325 2.047 10 0 CEAEHM N[C@@H](CN(Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000043700018 175097375 /nfs/dbraw/zinc/09/73/75/175097375.db2.gz CXVHOKABMILKFX-INIZCTEOSA-N -1 3 284.359 2.101 10 0 CEAEHM CC(C)Oc1ccc([C@H](C)N[C@H](C)c2nn[n-]n2)cc1 ZINC000044888275 175270894 /nfs/dbraw/zinc/27/08/94/175270894.db2.gz QOOHWMWHGYJMFU-WDEREUQCSA-N -1 3 275.356 2.399 10 0 CEAEHM c1csc([C@@H](NCc2nn[n-]n2)C2CCCC2)c1 ZINC000044929083 175278813 /nfs/dbraw/zinc/27/88/13/175278813.db2.gz CHLZBVIPELGFTB-LBPRGKRZSA-N -1 3 263.370 2.282 10 0 CEAEHM c1csc([C@@H](NCc2nnn[n-]2)C2CCCC2)c1 ZINC000044929083 175278814 /nfs/dbraw/zinc/27/88/14/175278814.db2.gz CHLZBVIPELGFTB-LBPRGKRZSA-N -1 3 263.370 2.282 10 0 CEAEHM Cc1cccc(NC(=O)[C@@H](N)CC(C)C)c1C(=O)[O-] ZINC000071171476 176051896 /nfs/dbraw/zinc/05/18/96/176051896.db2.gz AAKDXDGLGCMIKV-JTQLQIEISA-N -1 3 264.325 2.005 10 0 CEAEHM O=S(=O)([N-]CC1CCCC1)c1cnccc1Cl ZINC000071203558 176078643 /nfs/dbraw/zinc/07/86/43/176078643.db2.gz HNSMNTGSJIKOCI-UHFFFAOYSA-N -1 3 274.773 2.204 10 0 CEAEHM CC(C)c1ccc([N-]S(=O)(=O)c2c[nH]ccc2=O)cc1 ZINC000071221283 176087074 /nfs/dbraw/zinc/08/70/74/176087074.db2.gz VTCRBLXRHFGCFB-UHFFFAOYSA-N -1 3 292.360 2.299 10 0 CEAEHM O=C([O-])CCCCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000071286625 176110051 /nfs/dbraw/zinc/11/00/51/176110051.db2.gz XOLHVGUDBLBPSJ-CHWSQXEVSA-N -1 3 255.358 2.275 10 0 CEAEHM CN1CCC(Nc2nc3ccccc3cc2C(=O)[O-])CC1 ZINC000071386681 176148076 /nfs/dbraw/zinc/14/80/76/176148076.db2.gz AQUAITGOHHOBJV-UHFFFAOYSA-N -1 3 285.347 2.439 10 0 CEAEHM CCC(N)(CC)c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000071396872 176150103 /nfs/dbraw/zinc/15/01/03/176150103.db2.gz KQFRXKLSNCJYKK-UHFFFAOYSA-N -1 3 257.337 2.411 10 0 CEAEHM COc1cccc(C(=O)N[C@@H](C)c2ncc(C)o2)c1[O-] ZINC000226616715 280215589 /nfs/dbraw/zinc/21/55/89/280215589.db2.gz WFSHQJLIHGZIDC-VIFPVBQESA-N -1 3 276.292 2.188 10 0 CEAEHM C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1ccc([O-])cc1 ZINC000050567540 297685411 /nfs/dbraw/zinc/68/54/11/297685411.db2.gz RWQDHZNUWMOCKM-WDEREUQCSA-N -1 3 269.366 2.201 10 0 CEAEHM Cc1cc(C)c(C(=O)[O-])c(NCc2ccccn2)n1 ZINC000037978213 301172552 /nfs/dbraw/zinc/17/25/52/301172552.db2.gz HPNRTTCKVCQLOA-UHFFFAOYSA-N -1 3 257.293 2.404 10 0 CEAEHM CCC[C@H]1CCCN(Cc2oncc2C(=O)[O-])C1 ZINC000572049366 314119502 /nfs/dbraw/zinc/11/95/02/314119502.db2.gz UHNZVSCKMCBPRX-JTQLQIEISA-N -1 3 252.314 2.385 10 0 CEAEHM CCN(CC(=O)Nc1ccc(C)cc1)[C@H](C)CC(=O)[O-] ZINC000061183215 520357097 /nfs/dbraw/zinc/35/70/97/520357097.db2.gz QXICTASQBTUXCG-GFCCVEGCSA-N -1 3 278.352 2.119 10 0 CEAEHM CCN(CC(=O)N(CC)C1=CCCC1)[C@@H](C)CC(=O)[O-] ZINC000061183322 520307945 /nfs/dbraw/zinc/30/79/45/520307945.db2.gz OBFGONQOSKGCAS-LBPRGKRZSA-N -1 3 282.384 2.088 10 0 CEAEHM CCN(CC(=O)Nc1cccc(C)c1)[C@@H](C)CC(=O)[O-] ZINC000061183217 520363718 /nfs/dbraw/zinc/36/37/18/520363718.db2.gz GTFUQZVSARYECH-LBPRGKRZSA-N -1 3 278.352 2.119 10 0 CEAEHM CCN(Cc1cn2c(n1)nc(C)cc2C)C(C)(C)C(=O)[O-] ZINC000061176306 521430641 /nfs/dbraw/zinc/43/06/41/521430641.db2.gz BPTMWELCXIXZRC-UHFFFAOYSA-N -1 3 290.367 2.031 10 0 CEAEHM CN(C)C[C@H]1CCCN1c1c(F)cc(C(=O)[O-])cc1F ZINC000062721636 521873917 /nfs/dbraw/zinc/87/39/17/521873917.db2.gz HZADMTWVPPEKSZ-SNVBAGLBSA-N -1 3 284.306 2.193 10 0 CEAEHM COCc1cc(=O)[n-]c(-c2ccc(Cl)s2)n1 ZINC000051700201 522904561 /nfs/dbraw/zinc/90/45/61/522904561.db2.gz APQCGHVVFGBCNS-UHFFFAOYSA-N -1 3 256.714 2.298 10 0 CEAEHM CCc1c(C)nc(Cc2ccc(OC)cc2)[n-]c1=O ZINC000048760253 523710463 /nfs/dbraw/zinc/71/04/63/523710463.db2.gz NLRCDGYHRRKOPC-UHFFFAOYSA-N -1 3 258.321 2.240 10 0 CEAEHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(C)o2)n1 ZINC000182568583 523836000 /nfs/dbraw/zinc/83/60/00/523836000.db2.gz KTTKOVGVPBAJEB-JTQLQIEISA-N -1 3 261.325 2.497 10 0 CEAEHM CC[C@H](C)C[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000054466585 523885002 /nfs/dbraw/zinc/88/50/02/523885002.db2.gz OJPHYYQCJMPMNJ-ZETCQYMHSA-N -1 3 294.779 2.386 10 0 CEAEHM Cc1cc(CN2CCN(CC(C)C)CC2)oc1C(=O)[O-] ZINC000055079918 524697661 /nfs/dbraw/zinc/69/76/61/524697661.db2.gz JCUVCBWZAWJJNU-UHFFFAOYSA-N -1 3 280.368 2.060 10 0 CEAEHM Cc1cc(F)ccc1[C@@H](NC[C@@H]1CCCO1)C(=O)[O-] ZINC000050579976 525005442 /nfs/dbraw/zinc/00/54/42/525005442.db2.gz LIVNDGOZFMZDOE-WCQYABFASA-N -1 3 267.300 2.028 10 0 CEAEHM C[C@@H](Oc1ccc2c([O-])coc2c1)C(=O)N1CCCCC1 ZINC000062805390 525934458 /nfs/dbraw/zinc/93/44/58/525934458.db2.gz VYIZJZONKNXZND-LLVKDONJSA-N -1 3 289.331 2.042 10 0 CEAEHM O=C([O-])c1ccc(N[C@@H]2CN3CCC2CC3)c(F)c1 ZINC000054527433 526379291 /nfs/dbraw/zinc/37/92/91/526379291.db2.gz HKZVIBMTIXUJMK-CYBMUJFWSA-N -1 3 264.300 2.030 10 0 CEAEHM O=C([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)c(F)c1 ZINC000054530924 526379936 /nfs/dbraw/zinc/37/99/36/526379936.db2.gz QWEFJXDEMWMMIO-JTQLQIEISA-N -1 3 264.300 2.173 10 0 CEAEHM N[C@](COC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000045505318 527420404 /nfs/dbraw/zinc/42/04/04/527420404.db2.gz RRYYNHSTPGPYFB-HNNXBMFYSA-N -1 3 263.337 2.275 10 0 CEAEHM Nc1nc(-c2ccccc2[O-])cc(C(F)(F)F)n1 ZINC000006812356 527539973 /nfs/dbraw/zinc/53/99/73/527539973.db2.gz DNJQMHSNTGUDTB-UHFFFAOYSA-N -1 3 255.199 2.450 10 0 CEAEHM CC(C)(CCN1CCN(c2ccccc2F)CC1)C(=O)[O-] ZINC000087591730 535028192 /nfs/dbraw/zinc/02/81/92/535028192.db2.gz JXFDADRPYVOHHY-UHFFFAOYSA-N -1 3 294.370 2.449 10 0 CEAEHM CCC[C@@H](N)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000232348578 628947881 /nfs/dbraw/zinc/94/78/81/628947881.db2.gz XVWQOXNQRQXWFX-SECBINFHSA-N -1 3 251.261 2.381 10 0 CEAEHM Cc1cc(Br)cc([C@H]2CN(C)C[C@H]2C(=O)[O-])c1 ZINC000757193231 631832808 /nfs/dbraw/zinc/83/28/08/631832808.db2.gz QVTAGFNPKWWAGX-VXGBXAGGSA-N -1 3 298.180 2.487 10 0 CEAEHM Nc1ccc(C(=O)Nc2ncccc2[O-])c(Cl)c1 ZINC000082264116 177936004 /nfs/dbraw/zinc/93/60/04/177936004.db2.gz ONKWPTSUVTVZRI-UHFFFAOYSA-N -1 3 263.684 2.275 10 0 CEAEHM CCOC(=O)Cc1nc(-c2ccccc2Cl)n[n-]1 ZINC000039281106 361987821 /nfs/dbraw/zinc/98/78/21/361987821.db2.gz LBDRQGAVORHEJW-UHFFFAOYSA-N -1 3 265.700 2.231 10 0 CEAEHM CCOC(=O)Cc1n[n-]c(-c2ccccc2Cl)n1 ZINC000039281106 361987825 /nfs/dbraw/zinc/98/78/25/361987825.db2.gz LBDRQGAVORHEJW-UHFFFAOYSA-N -1 3 265.700 2.231 10 0 CEAEHM CCOC(=O)Cc1nnc(-c2ccccc2Cl)[n-]1 ZINC000039281106 361987827 /nfs/dbraw/zinc/98/78/27/361987827.db2.gz LBDRQGAVORHEJW-UHFFFAOYSA-N -1 3 265.700 2.231 10 0 CEAEHM O=c1[n-]c(=O)n(C2CCCCC2)cc1C(F)(F)F ZINC000725267113 539213958 /nfs/dbraw/zinc/21/39/58/539213958.db2.gz MRUAKTLZIUZILG-UHFFFAOYSA-N -1 3 262.231 2.473 10 0 CEAEHM CCOC(=O)[C@@]([O-])(c1cccc(OC)c1)C(F)(F)F ZINC000043465321 362144681 /nfs/dbraw/zinc/14/46/81/362144681.db2.gz ZGOXLISJKZMXJM-NSHDSACASA-N -1 3 278.226 2.008 10 0 CEAEHM Cc1cccc(NC(=O)CSc2nc([O-])cs2)c1 ZINC000006207171 343356121 /nfs/dbraw/zinc/35/61/21/343356121.db2.gz BZIJAHZWNIDZGR-UHFFFAOYSA-N -1 3 280.374 2.296 10 0 CEAEHM CN1CCC(O)([C@@H](C(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000142478797 344403617 /nfs/dbraw/zinc/40/36/17/344403617.db2.gz QUYVGPXEJNBRPE-MRXNPFEDSA-N -1 3 299.370 2.465 10 0 CEAEHM O=C([O-])c1cnoc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000310631836 344731004 /nfs/dbraw/zinc/73/10/04/344731004.db2.gz NYFYDYGPHMUSHN-KOLCDFICSA-N -1 3 250.298 2.137 10 0 CEAEHM CSC[C@H]1CCCN1Cc1ncccc1C(=O)[O-] ZINC000400027180 344859250 /nfs/dbraw/zinc/85/92/50/344859250.db2.gz FMCBBQNQYMEXOP-SNVBAGLBSA-N -1 3 266.366 2.107 10 0 CEAEHM CC(=O)c1ccc(NC(=O)c2ccc(Cl)nn2)c([O-])c1 ZINC000584633384 344970716 /nfs/dbraw/zinc/97/07/16/344970716.db2.gz JGEAEULUXITJSC-UHFFFAOYSA-N -1 3 291.694 2.291 10 0 CEAEHM O=S(=O)([N-][C@H]1COc2ccccc21)c1ccccc1F ZINC000058507253 362632577 /nfs/dbraw/zinc/63/25/77/362632577.db2.gz HFLLMWQDGIVEOL-LBPRGKRZSA-N -1 3 293.319 2.238 10 0 CEAEHM Cc1nc(C2(c3ccccc3)CCC2)[n-]c(=O)c1CCO ZINC000085403957 179053936 /nfs/dbraw/zinc/05/39/36/179053936.db2.gz ZVDGDCUDCKDYJV-UHFFFAOYSA-N -1 3 284.359 2.083 10 0 CEAEHM CN(C)Cc1ccccc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000085411606 179057121 /nfs/dbraw/zinc/05/71/21/179057121.db2.gz PJIZJCDTLJBTLF-CHWSQXEVSA-N -1 3 290.363 2.044 10 0 CEAEHM CC[C@@H](C)c1ccc(NC(=O)[C@H](N)CCC(=O)[O-])cc1 ZINC000085819283 179182333 /nfs/dbraw/zinc/18/23/33/179182333.db2.gz PKBQHUNJUISEDU-ZWNOBZJWSA-N -1 3 278.352 2.331 10 0 CEAEHM CC(C)C[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccccc1 ZINC000085819520 179183011 /nfs/dbraw/zinc/18/30/11/179183011.db2.gz JTQNWXJUBUJWJU-UONOGXRCSA-N -1 3 292.379 2.082 10 0 CEAEHM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085840947 179184614 /nfs/dbraw/zinc/18/46/14/179184614.db2.gz LNQFEGBIIGWGPU-JOYOIKCWSA-N -1 3 298.770 2.052 10 0 CEAEHM C[C@@H]1[C@@H](C)CC[C@@H]1[N-]S(=O)(=O)c1cc(N)ccc1F ZINC000086069738 179224333 /nfs/dbraw/zinc/22/43/33/179224333.db2.gz QZOCPDMNFOGRRK-SBMIAAHKSA-N -1 3 286.372 2.121 10 0 CEAEHM CCN(C)c1cc2c(cc1Br)C(=O)C(=O)[N-]2 ZINC000086233056 179254665 /nfs/dbraw/zinc/25/46/65/179254665.db2.gz RRXQJIYVCRRRIT-UHFFFAOYSA-N -1 3 283.125 2.040 10 0 CEAEHM C[C@@H](c1cnccn1)N1CCC(CCC(=O)[O-])CC1 ZINC000086755771 179323677 /nfs/dbraw/zinc/32/36/77/179323677.db2.gz ZZLYHXGHVFSGFP-NSHDSACASA-N -1 3 263.341 2.114 10 0 CEAEHM C[C@@H](c1c(F)cccc1F)N1CCCN(CC(=O)[O-])CC1 ZINC000086760927 179324739 /nfs/dbraw/zinc/32/47/39/179324739.db2.gz LOTJNXGVQLXDIZ-NSHDSACASA-N -1 3 298.333 2.118 10 0 CEAEHM C[C@H](c1ccncc1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000086764060 179326058 /nfs/dbraw/zinc/32/60/58/179326058.db2.gz RSBDLTUXXRIQIZ-BXKDBHETSA-N -1 3 288.269 2.482 10 0 CEAEHM COc1cccc([C@H](C)N2CCC(OCC(=O)[O-])CC2)c1 ZINC000086773281 179326808 /nfs/dbraw/zinc/32/68/08/179326808.db2.gz RKDPGPVIYYDYQS-LBPRGKRZSA-N -1 3 293.363 2.322 10 0 CEAEHM COc1ccccc1C[C@@H](C)N1CC(CC(=O)[O-])C1 ZINC000086812253 179341453 /nfs/dbraw/zinc/34/14/53/179341453.db2.gz NPQSCPFYFRRBQU-LLVKDONJSA-N -1 3 263.337 2.033 10 0 CEAEHM C[C@@H]1CCC[C@](O)(CNCc2ccc(C(=O)[O-])o2)C1 ZINC000087052357 179388816 /nfs/dbraw/zinc/38/88/16/179388816.db2.gz KRYJKQIKEQZVEC-QMTHXVAHSA-N -1 3 267.325 2.009 10 0 CEAEHM CC(C)N1CCOC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616660057 348552009 /nfs/dbraw/zinc/55/20/09/348552009.db2.gz KJXGTQZAVLCPSZ-AWEZNQCLSA-N -1 3 263.337 2.209 10 0 CEAEHM CCc1ccc([C@@H](C(=O)OC(C)(C)C)[C@@H](N)C(=O)[O-])cc1 ZINC000091365399 180142288 /nfs/dbraw/zinc/14/22/88/180142288.db2.gz AXRUMHYJYZMKBE-CHWSQXEVSA-N -1 3 293.363 2.086 10 0 CEAEHM O=C([O-])CC[C@@H]1CCCN(Cc2cncn2C2CC2)C1 ZINC000091277874 180121251 /nfs/dbraw/zinc/12/12/51/180121251.db2.gz WFDJJOOOZZFWID-LBPRGKRZSA-N -1 3 277.368 2.295 10 0 CEAEHM CC[C@@H]1Cc2c(Cl)c(OC)c(OC)cc2[C@@H](C(=O)[O-])N1 ZINC000091543473 180185072 /nfs/dbraw/zinc/18/50/72/180185072.db2.gz XIPUAZALFYHPJY-KRTXAFLBSA-N -1 3 299.754 2.407 10 0 CEAEHM Cc1cccc([O-])c1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000624298242 350254979 /nfs/dbraw/zinc/25/49/79/350254979.db2.gz OGKNXPUGVUKQLX-OCCSQVGLSA-N -1 3 275.348 2.484 10 0 CEAEHM Cc1ccc([O-])c(CNc2ccccc2-n2cncn2)n1 ZINC000091993974 180301366 /nfs/dbraw/zinc/30/13/66/180301366.db2.gz UHMHNXLMWDTGON-UHFFFAOYSA-N -1 3 281.319 2.288 10 0 CEAEHM C[C@H]1C[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000625196651 350426246 /nfs/dbraw/zinc/42/62/46/350426246.db2.gz YGMKIOVCEDSOFJ-QUBYGPBYSA-N -1 3 270.126 2.293 10 0 CEAEHM [O-]c1ccc(-c2noc(CNCC(F)(F)F)n2)cc1 ZINC000092442510 180385694 /nfs/dbraw/zinc/38/56/94/180385694.db2.gz FVINPZWEJQVAIT-UHFFFAOYSA-N -1 3 273.214 2.094 10 0 CEAEHM CN(Cc1cc([O-])ccc1Br)C(C)(C)CO ZINC000092508175 180398584 /nfs/dbraw/zinc/39/85/84/180398584.db2.gz CUZWNMVVPJPANR-UHFFFAOYSA-N -1 3 288.185 2.357 10 0 CEAEHM O=C(CSc1cnccn1)c1cc(F)ccc1[O-] ZINC000110913847 186332445 /nfs/dbraw/zinc/33/24/45/186332445.db2.gz AZHAKEWMIYQVSU-UHFFFAOYSA-N -1 3 264.281 2.296 10 0 CEAEHM Nc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111076600 186351725 /nfs/dbraw/zinc/35/17/25/186351725.db2.gz FGSCVFCPHCZHHD-AXFHLTTASA-N -1 3 298.383 2.122 10 0 CEAEHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H]3C[C@@H]3C)c[n-]c12 ZINC000131778172 366089203 /nfs/dbraw/zinc/08/92/03/366089203.db2.gz XHALHEXNGIQKJL-MADCSZMMSA-N -1 3 274.295 2.114 10 0 CEAEHM Nc1cc(I)cc(Cl)c1[O-] ZINC000575721150 366347024 /nfs/dbraw/zinc/34/70/24/366347024.db2.gz ZQLLEBVTJASWRO-UHFFFAOYSA-N -1 3 269.469 2.232 10 0 CEAEHM Nc1ccc([O-])c(Cl)c1I ZINC000575720158 366345096 /nfs/dbraw/zinc/34/50/96/366345096.db2.gz IDSHLBNZTWGQPI-UHFFFAOYSA-N -1 3 269.469 2.232 10 0 CEAEHM C[C@H](Sc1nc2n[nH]cc2c(=O)[n-]1)c1ccccc1 ZINC000004249695 361307651 /nfs/dbraw/zinc/30/76/51/361307651.db2.gz SWKDFBSUOZHTMW-QMMMGPOBSA-N -1 3 272.333 2.500 10 0 CEAEHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1cscc1Br ZINC000632629320 367859725 /nfs/dbraw/zinc/85/97/25/367859725.db2.gz PUYZMYLZBMKGRX-CAHLUQPWSA-N -1 3 296.211 2.197 10 0 CEAEHM C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccccc1[O-] ZINC000175863260 368184064 /nfs/dbraw/zinc/18/40/64/368184064.db2.gz SLSVGVCXRUZOPX-SNVBAGLBSA-N -1 3 279.336 2.194 10 0 CEAEHM CC(C)Cc1ccc([C@@H](C)NCc2nc(=O)[n-][nH]2)cc1 ZINC000271752363 394763477 /nfs/dbraw/zinc/76/34/77/394763477.db2.gz YVBHILPIABZRLG-LLVKDONJSA-N -1 3 274.368 2.147 10 0 CEAEHM COc1ccc([O-])c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000048194668 286337585 /nfs/dbraw/zinc/33/75/85/286337585.db2.gz FNUIARPGOMTVCX-DZGCQCFKSA-N -1 3 291.347 2.184 10 0 CEAEHM Cc1cnc([C@@H](C)NC(=O)c2ccc([O-])c(C)c2)o1 ZINC000227060292 153338941 /nfs/dbraw/zinc/33/89/41/153338941.db2.gz BBTWLZHZGWYFCW-SNVBAGLBSA-N -1 3 260.293 2.488 10 0 CEAEHM O=C([O-])c1ccc(CNCc2ccc3c(c2)OCO3)s1 ZINC000006806455 170245300 /nfs/dbraw/zinc/24/53/00/170245300.db2.gz HDTQTTNGHHUVFL-UHFFFAOYSA-N -1 3 291.328 2.465 10 0 CEAEHM CC(=O)c1ccccc1[N-]S(=O)(=O)N1CCCCCC1 ZINC000020255852 171110229 /nfs/dbraw/zinc/11/02/29/171110229.db2.gz XCYOLZBTRBUFAY-UHFFFAOYSA-N -1 3 296.392 2.422 10 0 CEAEHM Cc1ccc([C@H](C)N2CCN(CCC(=O)[O-])CC2)c(C)c1 ZINC000022793555 171398758 /nfs/dbraw/zinc/39/87/58/171398758.db2.gz SFIJSUXYBFZXLT-HNNXBMFYSA-N -1 3 290.407 2.457 10 0 CEAEHM C[C@@H](NC(=O)c1ccc([O-])cc1)c1cccc(N)c1 ZINC000037177678 173011285 /nfs/dbraw/zinc/01/12/85/173011285.db2.gz MPFWFXOSCMWOPL-SNVBAGLBSA-N -1 3 256.305 2.465 10 0 CEAEHM O=C([O-])[C@H](NC1CC1)c1ccccc1Br ZINC000037183715 173015528 /nfs/dbraw/zinc/01/55/28/173015528.db2.gz NWTAGEVIIYPWKD-SNVBAGLBSA-N -1 3 270.126 2.327 10 0 CEAEHM CN(C)CC(C)(C)CNCc1nc(=O)c2sccc2[n-]1 ZINC000037328659 173129631 /nfs/dbraw/zinc/12/96/31/173129631.db2.gz OOGMMKWCPFYZDH-UHFFFAOYSA-N -1 3 294.424 2.074 10 0 CEAEHM CC(C)c1cc(=O)[n-]c(-c2ccc3c(c2)CCO3)n1 ZINC000037362558 173151581 /nfs/dbraw/zinc/15/15/81/173151581.db2.gz NFBHUYZSEYKKJW-UHFFFAOYSA-N -1 3 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2.276 10 0 CEAEHM CCN([C@H](C)COC)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000091781956 180253950 /nfs/dbraw/zinc/25/39/50/180253950.db2.gz RQVDWCPIUUZNJW-ZJUUUORDSA-N -1 3 255.314 2.396 10 0 CEAEHM Cc1cnn([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)c1 ZINC000105885861 186083299 /nfs/dbraw/zinc/08/32/99/186083299.db2.gz AIDZNRIQSLRFNT-CYBMUJFWSA-N -1 3 285.347 2.374 10 0 CEAEHM CN(C)CCn1nc(C2CC2)c2cc(C(=O)[O-])sc21 ZINC000109525602 186259765 /nfs/dbraw/zinc/25/97/65/186259765.db2.gz QICZAQLDZKQKNL-UHFFFAOYSA-N -1 3 279.365 2.235 10 0 CEAEHM O=c1cc(C2CC2)nc(-c2ccc3c(c2)OCCCO3)[n-]1 ZINC000109524700 186259993 /nfs/dbraw/zinc/25/99/93/186259993.db2.gz AOFHXZBPDGHCGF-UHFFFAOYSA-N -1 3 284.315 2.476 10 0 CEAEHM CCOC(=O)c1nc([C@H]2CCCc3ccccc32)n[n-]1 ZINC000109605785 186267987 /nfs/dbraw/zinc/26/79/87/186267987.db2.gz RRQUEMYOIAHHJX-LBPRGKRZSA-N -1 3 271.320 2.450 10 0 CEAEHM CCOC(=O)c1nnc([C@H]2CCCc3ccccc32)[n-]1 ZINC000109605785 186267988 /nfs/dbraw/zinc/26/79/88/186267988.db2.gz RRQUEMYOIAHHJX-LBPRGKRZSA-N -1 3 271.320 2.450 10 0 CEAEHM CCOC(=O)c1n[n-]c([C@H]2CCCc3ccccc32)n1 ZINC000109605785 186267989 /nfs/dbraw/zinc/26/79/89/186267989.db2.gz RRQUEMYOIAHHJX-LBPRGKRZSA-N -1 3 271.320 2.450 10 0 CEAEHM CCCc1c(N)nc(-c2ccc(C)c(F)c2)[n-]c1=O ZINC000110472816 186297789 /nfs/dbraw/zinc/29/77/89/186297789.db2.gz OJRXKWNREQEXKJ-UHFFFAOYSA-N -1 3 261.300 2.419 10 0 CEAEHM C[C@@H]1CCCN(CC(=O)c2ccc([O-])cc2O)CC1 ZINC000110806876 186326686 /nfs/dbraw/zinc/32/66/86/186326686.db2.gz JJYLXYMAEKIMIN-LLVKDONJSA-N -1 3 263.337 2.403 10 0 CEAEHM CCC[C@@](C)(N)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000110988233 186340443 /nfs/dbraw/zinc/34/04/43/186340443.db2.gz AUNKQMPRHXOVTK-CQSZACIVSA-N -1 3 264.325 2.149 10 0 CEAEHM CCOC(CCOc1ccc2c([O-])coc2c1)OCC ZINC000110787357 186324189 /nfs/dbraw/zinc/32/41/89/186324189.db2.gz XDLKYSFEXOQKLH-UHFFFAOYSA-N -1 3 280.320 2.430 10 0 CEAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC12CCCC2 ZINC000336260415 213097410 /nfs/dbraw/zinc/09/74/10/213097410.db2.gz AMCYSXBMAXOPQX-NSHDSACASA-N -1 3 284.381 2.293 10 0 CEAEHM O=C(N[C@@H]1CCC[C@@H](O)C1)c1cc([O-])ccc1Cl ZINC000685622875 540356909 /nfs/dbraw/zinc/35/69/09/540356909.db2.gz OCKBMFCMXYHLQS-RKDXNWHRSA-N -1 3 269.728 2.079 10 0 CEAEHM Cc1ccc([O-])c(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000083704037 363783736 /nfs/dbraw/zinc/78/37/36/363783736.db2.gz KLYIFARGOLCTJH-KBPBESRZSA-N -1 3 288.391 2.399 10 0 CEAEHM CCCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccc1 ZINC000184379989 189384589 /nfs/dbraw/zinc/38/45/89/189384589.db2.gz FIIYLQKYJFFQBL-CYBMUJFWSA-N -1 3 299.392 2.010 10 0 CEAEHM O=C([N-]c1ccc(=O)[nH]c1)c1c(F)cc(F)cc1F ZINC000311987523 376698959 /nfs/dbraw/zinc/69/89/59/376698959.db2.gz PLGFQFLHQSFBNE-UHFFFAOYSA-N -1 3 268.194 2.457 10 0 CEAEHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000278696981 194108436 /nfs/dbraw/zinc/10/84/36/194108436.db2.gz MOKHRMRCSNLSQI-SSDOTTSWSA-N -1 3 280.752 2.197 10 0 CEAEHM O=C(N[C@@H]1CCOc2ccccc21)c1cccc2nn[n-]c21 ZINC000182679516 542283672 /nfs/dbraw/zinc/28/36/72/542283672.db2.gz SDIUZMIXTHPHHT-GFCCVEGCSA-N -1 3 294.314 2.212 10 0 CEAEHM O=C(N[C@@H]1CCOc2ccccc21)c1cccc2[n-]nnc21 ZINC000182679516 542283673 /nfs/dbraw/zinc/28/36/73/542283673.db2.gz SDIUZMIXTHPHHT-GFCCVEGCSA-N -1 3 294.314 2.212 10 0 CEAEHM O=C(N[C@@H]1CCOc2ccccc21)c1cccc2n[n-]nc21 ZINC000182679516 542283675 /nfs/dbraw/zinc/28/36/75/542283675.db2.gz SDIUZMIXTHPHHT-GFCCVEGCSA-N -1 3 294.314 2.212 10 0 CEAEHM O=C(N[C@H]1CCOc2ccccc21)c1cccc2nn[n-]c21 ZINC000182679530 542283522 /nfs/dbraw/zinc/28/35/22/542283522.db2.gz SDIUZMIXTHPHHT-LBPRGKRZSA-N -1 3 294.314 2.212 10 0 CEAEHM O=C(N[C@H]1CCOc2ccccc21)c1cccc2[n-]nnc21 ZINC000182679530 542283527 /nfs/dbraw/zinc/28/35/27/542283527.db2.gz SDIUZMIXTHPHHT-LBPRGKRZSA-N -1 3 294.314 2.212 10 0 CEAEHM O=C(N[C@H]1CCOc2ccccc21)c1cccc2n[n-]nc21 ZINC000182679530 542283531 /nfs/dbraw/zinc/28/35/31/542283531.db2.gz SDIUZMIXTHPHHT-LBPRGKRZSA-N -1 3 294.314 2.212 10 0 CEAEHM CC(C)N(CCCO)c1cc2c(cc1Cl)C(=O)C(=O)[N-]2 ZINC000092772510 184626546 /nfs/dbraw/zinc/62/65/46/184626546.db2.gz QIZVDHZDFYGLIZ-UHFFFAOYSA-N -1 3 296.754 2.072 10 0 CEAEHM CC[C@@H](C)n1ccc(CN[C@@](C)(CC)C(=O)[O-])n1 ZINC000094228163 184766190 /nfs/dbraw/zinc/76/61/90/184766190.db2.gz BBZUIZDBWKWSRY-MFKMUULPSA-N -1 3 253.346 2.197 10 0 CEAEHM C[C@]1(c2ccccc2)C(=O)[N-]C(=O)N1Cc1nccs1 ZINC000094978490 184909257 /nfs/dbraw/zinc/90/92/57/184909257.db2.gz HPTRFRJJJFJPNI-AWEZNQCLSA-N -1 3 287.344 2.110 10 0 CEAEHM CC1CCN(c2nc(-c3cccnc3)cc(=O)[n-]2)CC1 ZINC000057330853 134438847 /nfs/dbraw/zinc/43/88/47/134438847.db2.gz PLEHHSLGVFFHKQ-UHFFFAOYSA-N -1 3 270.336 2.068 10 0 CEAEHM C[C@@H]1CN(c2cc3c(cc2Cl)C(=O)C(=O)[N-]3)C[C@@H](C)O1 ZINC000092772212 135077055 /nfs/dbraw/zinc/07/70/55/135077055.db2.gz GLGPQSAJYWKXJS-HTQZYQBOSA-N -1 3 294.738 2.088 10 0 CEAEHM CC[C@H]1COCCN1c1cc2c(cc1Cl)C(=O)C(=O)[N-]2 ZINC000092772374 135077329 /nfs/dbraw/zinc/07/73/29/135077329.db2.gz LRJJCFAHMIIJQY-QMMMGPOBSA-N -1 3 294.738 2.090 10 0 CEAEHM CN1CCN(c2cccc(F)c2C(=O)[O-])CC1(C)C ZINC000093411300 135080838 /nfs/dbraw/zinc/08/08/38/135080838.db2.gz ZHLQULVHLLRPAF-UHFFFAOYSA-N -1 3 266.316 2.054 10 0 CEAEHM CC(C)(C)OC(=O)Nc1cccc2c1C[C@@H](C(=O)[O-])NC2 ZINC000095883837 394674569 /nfs/dbraw/zinc/67/45/69/394674569.db2.gz UDKUWOLAAGSLDS-LBPRGKRZSA-N -1 3 292.335 2.133 10 0 CEAEHM C[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccc([O-])cc1 ZINC000230702932 153398035 /nfs/dbraw/zinc/39/80/35/153398035.db2.gz AQKZGKFFFWYYHK-QWRGUYRKSA-N -1 3 269.366 2.107 10 0 CEAEHM COc1c(O)cccc1CNC[C@H](CC(C)C)C(=O)[O-] ZINC000263109607 154018862 /nfs/dbraw/zinc/01/88/62/154018862.db2.gz YLJWZNCZESZBCR-LBPRGKRZSA-N -1 3 281.352 2.237 10 0 CEAEHM O=C(/C=C/c1cncc([O-])c1)N[C@@H]1COc2ccccc21 ZINC000179462301 165281259 /nfs/dbraw/zinc/28/12/59/165281259.db2.gz FYKAEHCTMGTEMS-VBROQKIQSA-N -1 3 282.299 2.050 10 0 CEAEHM COc1ccc(Cn2[n-]c(=O)c3ccccc32)cc1OC ZINC000006018638 170168558 /nfs/dbraw/zinc/16/85/58/170168558.db2.gz XHCGLUVJQPPZOD-UHFFFAOYSA-N -1 3 284.315 2.395 10 0 CEAEHM CC(=O)Nc1ccc(NC(=O)c2ccco2)c([O-])c1 ZINC000021003309 171284599 /nfs/dbraw/zinc/28/45/99/171284599.db2.gz BBQJOQQLDBZWNP-UHFFFAOYSA-N -1 3 260.249 2.196 10 0 CEAEHM NNc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000035354580 172145588 /nfs/dbraw/zinc/14/55/88/172145588.db2.gz CITITQVMHHQBCS-UHFFFAOYSA-N -1 3 299.302 2.051 10 0 CEAEHM C[C@H]([N-]S(=O)(=O)c1cc(N)cc(Cl)c1F)C1CC1 ZINC000035732655 172383947 /nfs/dbraw/zinc/38/39/47/172383947.db2.gz CDJVEHMIDJENGJ-LURJTMIESA-N -1 3 292.763 2.138 10 0 CEAEHM O=c1ccnc(Cc2cccc(Br)c2)[n-]1 ZINC000036882071 172778917 /nfs/dbraw/zinc/77/89/17/172778917.db2.gz FLAALMPXPBYYCA-UHFFFAOYSA-N -1 3 265.110 2.123 10 0 CEAEHM O=C([O-])[C@@H](NC1CC1)c1ccccc1OC(F)(F)F ZINC000037183634 173015580 /nfs/dbraw/zinc/01/55/80/173015580.db2.gz AAFBCNHVRMSFHK-JTQLQIEISA-N -1 3 275.226 2.463 10 0 CEAEHM CCN(C(=O)CN1CCCC[C@H]1CC(=O)[O-])C1=CCCC1 ZINC000038027767 174013409 /nfs/dbraw/zinc/01/34/09/174013409.db2.gz XSZXMKQUMZTUGM-AWEZNQCLSA-N -1 3 294.395 2.232 10 0 CEAEHM O=C([O-])C[C@@H]1CCCCN1Cc1ccc2c(c1)OCO2 ZINC000038027919 174015145 /nfs/dbraw/zinc/01/51/45/174015145.db2.gz NFKZRKPECYXRMV-LBPRGKRZSA-N -1 3 277.320 2.245 10 0 CEAEHM Cc1cccc(O)c1[N-]S(=O)(=O)CCc1ccccn1 ZINC000038052603 174064097 /nfs/dbraw/zinc/06/40/97/174064097.db2.gz POJGFESSQSYMJL-UHFFFAOYSA-N -1 3 292.360 2.080 10 0 CEAEHM COc1ccc(-c2nccc(=O)[n-]2)cc1Br ZINC000038052446 174064142 /nfs/dbraw/zinc/06/41/42/174064142.db2.gz PCDPLSVHEUHKTL-UHFFFAOYSA-N -1 3 281.109 2.208 10 0 CEAEHM [O-][C@]1(C(F)(F)C(F)F)CC(c2ccccc2)=NO1 ZINC000038273334 174137995 /nfs/dbraw/zinc/13/79/95/174137995.db2.gz NGGXPXGLASJLDI-SNVBAGLBSA-N -1 3 263.190 2.400 10 0 CEAEHM CC(C)C[C@H](N)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000040479300 174283993 /nfs/dbraw/zinc/28/39/93/174283993.db2.gz KYLPVMRBKLADQN-JTQLQIEISA-N -1 3 284.743 2.350 10 0 CEAEHM CCC[C@@](C)(N)C(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000040483916 174287820 /nfs/dbraw/zinc/28/78/20/174287820.db2.gz SVKHJVHMKUJWLF-OAHLLOKOSA-N -1 3 278.352 2.012 10 0 CEAEHM CC(C)(C)Nc1ncnc([N-]c2nccs2)c1N ZINC000040680576 174375260 /nfs/dbraw/zinc/37/52/60/174375260.db2.gz HSGNRBDDHBPMGN-UHFFFAOYSA-N -1 3 264.358 2.469 10 0 CEAEHM COc1cccc(C(=O)Nc2ccc(CCO)cc2)c1[O-] ZINC000040715277 174382384 /nfs/dbraw/zinc/38/23/84/174382384.db2.gz RLQWYBVJMDBERU-UHFFFAOYSA-N -1 3 287.315 2.188 10 0 CEAEHM CCN(CC)[C@@H](C(=O)[O-])c1cc(F)ccc1OC ZINC000041325221 174521853 /nfs/dbraw/zinc/52/18/53/174521853.db2.gz ISAQWMRWKMUTJA-GFCCVEGCSA-N -1 3 255.289 2.302 10 0 CEAEHM O=C([O-])/C=C/c1ccc(CN2CCCC[C@@H]2CO)s1 ZINC000043684768 175093355 /nfs/dbraw/zinc/09/33/55/175093355.db2.gz RMVLNUCCSWOBDX-XUIVZRPNSA-N -1 3 281.377 2.193 10 0 CEAEHM C[C@@H](NCc1cccc2ccccc21)c1nn[n-]n1 ZINC000044887961 175271015 /nfs/dbraw/zinc/27/10/15/175271015.db2.gz BJHNTKNDOZYCEP-SNVBAGLBSA-N -1 3 253.309 2.204 10 0 CEAEHM C[C@@H](NCc1cccc2ccccc21)c1nnn[n-]1 ZINC000044887961 175271016 /nfs/dbraw/zinc/27/10/16/175271016.db2.gz BJHNTKNDOZYCEP-SNVBAGLBSA-N -1 3 253.309 2.204 10 0 CEAEHM C[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000044922737 175276923 /nfs/dbraw/zinc/27/69/23/175276923.db2.gz ONSBVOGMQHLDDQ-YUMQZZPRSA-N -1 3 251.721 2.265 10 0 CEAEHM C[C@@H](N[C@H](C)c1ccc(Br)cc1)c1nn[n-]n1 ZINC000044922735 175277009 /nfs/dbraw/zinc/27/70/09/175277009.db2.gz ZGZUUUNRRFMNTF-HTQZYQBOSA-N -1 3 296.172 2.374 10 0 CEAEHM Cc1nc(S(=O)(=O)[N-][C@H](C)CCCC(C)C)c[nH]1 ZINC000070420238 175919104 /nfs/dbraw/zinc/91/91/04/175919104.db2.gz QKDJKGIUJUUBAW-SNVBAGLBSA-N -1 3 273.402 2.211 10 0 CEAEHM Cc1cnccc1[N-]S(=O)(=O)c1ccc2c(c1)NCC2 ZINC000071102542 176033543 /nfs/dbraw/zinc/03/35/43/176033543.db2.gz AGZKUBRXFOPBRH-UHFFFAOYSA-N -1 3 289.360 2.159 10 0 CEAEHM C[C@](N)(C(=O)Nc1ccc(C(=O)[O-])cc1Cl)C1CC1 ZINC000071392077 176148853 /nfs/dbraw/zinc/14/88/53/176148853.db2.gz GWFRVDBJYUYSQI-CYBMUJFWSA-N -1 3 282.727 2.104 10 0 CEAEHM COc1ccc(F)cc1[C@@H]1CCC[C@H](C(=O)[O-])N1 ZINC000075726031 176764005 /nfs/dbraw/zinc/76/40/05/176764005.db2.gz GLEXTBWXKRWIKI-WDEREUQCSA-N -1 3 253.273 2.102 10 0 CEAEHM CCC(C)(C)N(C)CC(=O)c1ccc([O-])cc1O ZINC000069441453 521299730 /nfs/dbraw/zinc/29/97/30/521299730.db2.gz WHRALEIAIRNZQV-UHFFFAOYSA-N -1 3 251.326 2.401 10 0 CEAEHM CCC(C)(C)N(C)S(=O)(=O)c1ccc([O-])cc1 ZINC000069457125 521307190 /nfs/dbraw/zinc/30/71/90/521307190.db2.gz YWYJTECBZLJXGX-UHFFFAOYSA-N -1 3 257.355 2.201 10 0 CEAEHM CCN(CC(=O)N[C@H](C)CCC(C)C)[C@@H](C)CC(=O)[O-] ZINC000061182358 520347667 /nfs/dbraw/zinc/34/76/67/520347667.db2.gz OZMYJOBCPQSQMM-OLZOCXBDSA-N -1 3 286.416 2.112 10 0 CEAEHM CCN(CC(=O)Nc1c(C)cccc1C)[C@@H](C)CC(=O)[O-] ZINC000061183562 520350877 /nfs/dbraw/zinc/35/08/77/520350877.db2.gz VRFKJJMAVZPUDY-ZDUSSCGKSA-N -1 3 292.379 2.427 10 0 CEAEHM CCN(Cc1cn2cccc(C)c2n1)C[C@H](C)C(=O)[O-] ZINC000061219704 521430568 /nfs/dbraw/zinc/43/05/68/521430568.db2.gz IBJIRIXKUKXZLO-LBPRGKRZSA-N -1 3 275.352 2.185 10 0 CEAEHM CCN(Cc1ncc(C)c(OC)c1C)[C@H](C)CC(=O)[O-] ZINC000061182550 521459749 /nfs/dbraw/zinc/45/97/49/521459749.db2.gz QZEAGJJPQLHLCP-LLVKDONJSA-N -1 3 280.368 2.392 10 0 CEAEHM CC[C@H](CC(=O)[O-])N1CCN(c2cccc(OC)c2)CC1 ZINC000062749900 522112269 /nfs/dbraw/zinc/11/22/69/522112269.db2.gz SVVLNYAVZXXVLN-CYBMUJFWSA-N -1 3 292.379 2.071 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000062349029 522369700 /nfs/dbraw/zinc/36/97/00/522369700.db2.gz RBPYINKQYGOFFT-OQPBUACISA-N -1 3 278.352 2.314 10 0 CEAEHM CN(CCCn1ccc(=O)[n-]c1=S)c1ccccc1 ZINC000052312451 522800612 /nfs/dbraw/zinc/80/06/12/522800612.db2.gz ASYAMIIUEPXPIZ-UHFFFAOYSA-N -1 3 275.377 2.432 10 0 CEAEHM COC(=O)[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000050512825 523922541 /nfs/dbraw/zinc/92/25/41/523922541.db2.gz ZEWQPVUVGOXLCT-CQSZACIVSA-N -1 3 285.299 2.036 10 0 CEAEHM Cc1cc(C(=O)[O-])ccc1N1CCN(C(C)C)CC1 ZINC000050545921 524192850 /nfs/dbraw/zinc/19/28/50/524192850.db2.gz WNRUUOSBQYDYEF-UHFFFAOYSA-N -1 3 262.353 2.224 10 0 CEAEHM COc1ccc([O-])c(C(=O)NC[C@@H](C)CSC)c1 ZINC000069456026 524729786 /nfs/dbraw/zinc/72/97/86/524729786.db2.gz XRIUARVXXZRJKB-SECBINFHSA-N -1 3 269.366 2.130 10 0 CEAEHM COc1nc(Cl)nc(Sc2ccccc2[O-])n1 ZINC000061514809 524976109 /nfs/dbraw/zinc/97/61/09/524976109.db2.gz UIVJHFKMFPNIJU-UHFFFAOYSA-N -1 3 269.713 2.390 10 0 CEAEHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000052299796 525330374 /nfs/dbraw/zinc/33/03/74/525330374.db2.gz FSFMKTMNRTYMIE-RITPCOANSA-N -1 3 296.211 2.197 10 0 CEAEHM Cc1ccc(C(=O)[O-])c(N2CCN(CC(C)C)CC2)c1 ZINC000055085547 526231719 /nfs/dbraw/zinc/23/17/19/526231719.db2.gz RWKDWTQRPGJELC-UHFFFAOYSA-N -1 3 276.380 2.471 10 0 CEAEHM N[C@@](COc1cccc(F)c1F)(C(=O)[O-])c1ccccc1 ZINC000062653741 527378893 /nfs/dbraw/zinc/37/88/93/527378893.db2.gz VGOVDXGRCAGKDU-OAHLLOKOSA-N -1 3 293.269 2.282 10 0 CEAEHM CN(C)c1nc(N)c(-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000757178811 574511396 /nfs/dbraw/zinc/51/13/96/574511396.db2.gz QTNITWOFJMIHTR-UHFFFAOYSA-N -1 3 264.716 2.151 10 0 CEAEHM Cn1cc(-c2nccc(-c3ccccc3)n2)cc([O-])c1=O ZINC000118903870 344292988 /nfs/dbraw/zinc/29/29/88/344292988.db2.gz CNUWMWALTYBWHR-UHFFFAOYSA-N -1 3 279.299 2.215 10 0 CEAEHM O=C([O-])C1CCC(O)(CN2CCc3sccc3C2)CC1 ZINC000236415400 344595485 /nfs/dbraw/zinc/59/54/85/344595485.db2.gz RCLCGMUQNGSATC-UHFFFAOYSA-N -1 3 295.404 2.112 10 0 CEAEHM Fc1[n-]c(=S)ccc1I ZINC000307661015 344723719 /nfs/dbraw/zinc/72/37/19/344723719.db2.gz VCMBWRZGPAXZPC-UHFFFAOYSA-N -1 3 255.055 2.114 10 0 CEAEHM CCOc1cc(N)ccc1-c1ccc(C(=O)[N-]C(C)=O)o1 ZINC000085346788 179028758 /nfs/dbraw/zinc/02/87/58/179028758.db2.gz VGOSPLPFDRJSGT-UHFFFAOYSA-N -1 3 288.303 2.204 10 0 CEAEHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccnc2Cl)[C@@H]1C ZINC000086075252 179225195 /nfs/dbraw/zinc/22/51/95/179225195.db2.gz OSFZPTAUEVGVDG-OPRDCNLKSA-N -1 3 288.800 2.448 10 0 CEAEHM CC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000086515919 179305643 /nfs/dbraw/zinc/30/56/43/179305643.db2.gz MNCGHTJNOHMDRO-LURJTMIESA-N -1 3 296.175 2.249 10 0 CEAEHM Cc1ccc([C@H](C)N2CCC(OCC(=O)[O-])CC2)o1 ZINC000086773531 179326635 /nfs/dbraw/zinc/32/66/35/179326635.db2.gz JNBFXIOLGQRRRV-NSHDSACASA-N -1 3 267.325 2.215 10 0 CEAEHM C[C@@H]1C[N@H+](Cc2ccc([O-])c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000086774454 179327095 /nfs/dbraw/zinc/32/70/95/179327095.db2.gz NMLSFHHHPZXNGW-SCZZXKLOSA-N -1 3 269.728 2.198 10 0 CEAEHM C[C@@H]1C[N@@H+](Cc2ccc([O-])c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000086774454 179327096 /nfs/dbraw/zinc/32/70/96/179327096.db2.gz NMLSFHHHPZXNGW-SCZZXKLOSA-N -1 3 269.728 2.198 10 0 CEAEHM CC[C@@]1(C(=O)[O-])CCN([C@@H]2COc3cc(O)ccc32)C1 ZINC000086780982 179329620 /nfs/dbraw/zinc/32/96/20/179329620.db2.gz UDLKCZHREIJMGV-IUODEOHRSA-N -1 3 277.320 2.012 10 0 CEAEHM COc1ccc([C@@H](C)N2CC[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000086789757 179334808 /nfs/dbraw/zinc/33/48/08/179334808.db2.gz YLKLZYXDZMILAK-MNOVXSKESA-N -1 3 279.336 2.171 10 0 CEAEHM CCC[C@@H](c1ccccc1)N1CCO[C@H](C(=O)[O-])C1 ZINC000086805101 179338374 /nfs/dbraw/zinc/33/83/74/179338374.db2.gz HAALGGNHGYHNRT-KBPBESRZSA-N -1 3 263.337 2.313 10 0 CEAEHM CCCC1CCC(N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000086804720 179338858 /nfs/dbraw/zinc/33/88/58/179338858.db2.gz DWIXJVGJHOAYJJ-BPCQOVAHSA-N -1 3 255.358 2.131 10 0 CEAEHM COc1ccc(C[C@@H](C)N2CC(CC(=O)[O-])C2)cc1OC ZINC000086811569 179341834 /nfs/dbraw/zinc/34/18/34/179341834.db2.gz SEHVVIGHFXEGAD-LLVKDONJSA-N -1 3 293.363 2.041 10 0 CEAEHM CCCc1c(N)nc(CSC(C)(C)C)[n-]c1=O ZINC000087116351 179395314 /nfs/dbraw/zinc/39/53/14/179395314.db2.gz JZOWOXFPULZQLO-UHFFFAOYSA-N -1 3 255.387 2.336 10 0 CEAEHM C[C@H]1CCC[C@](O)(CNC(=O)c2cccc([O-])c2)C1 ZINC000087071502 179391810 /nfs/dbraw/zinc/39/18/10/179391810.db2.gz SRKUZCOXPPFINF-XHDPSFHLSA-N -1 3 263.337 2.063 10 0 CEAEHM Cc1ccc([N-]S(=O)(=O)CCC(C)C)c(O)c1 ZINC000104435762 186001472 /nfs/dbraw/zinc/00/14/72/186001472.db2.gz PPDQAHGBIOHHOR-UHFFFAOYSA-N -1 3 257.355 2.488 10 0 CEAEHM C[C@@H](c1cccc(O)c1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091132997 180102034 /nfs/dbraw/zinc/10/20/34/180102034.db2.gz HCZFTEXQNFCAPT-JQWIXIFHSA-N -1 3 281.377 2.345 10 0 CEAEHM COCc1ccccc1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000091133018 180102407 /nfs/dbraw/zinc/10/24/07/180102407.db2.gz QPKZXDIWMPSTAO-AWEZNQCLSA-N -1 3 295.404 2.225 10 0 CEAEHM CC(C)c1ccc(Cn2cc(Cl)c(=O)[n-]c2=O)cc1 ZINC000091329604 180135873 /nfs/dbraw/zinc/13/58/73/180135873.db2.gz ZMFNKFDZEGKDNE-UHFFFAOYSA-N -1 3 278.739 2.362 10 0 CEAEHM CC(C)n1c(=S)[n-]nc1N1CCC[C@@H](N(C)C)C1 ZINC000091392144 180145160 /nfs/dbraw/zinc/14/51/60/180145160.db2.gz OXKSQEBKHLLTMH-SNVBAGLBSA-N -1 3 269.418 2.052 10 0 CEAEHM Cc1cccc(C(=O)N2Cc3ccc(N)cc3C2)c1[O-] ZINC000091500477 180174814 /nfs/dbraw/zinc/17/48/14/180174814.db2.gz LDHZFSTWSFRTEW-UHFFFAOYSA-N -1 3 268.316 2.439 10 0 CEAEHM CCOC(=O)c1cc(C(C)C)[n-]c1C(=O)OCC ZINC000091692650 180228807 /nfs/dbraw/zinc/22/88/07/180228807.db2.gz OYPDZEJMFXEQNM-UHFFFAOYSA-N -1 3 253.298 2.492 10 0 CEAEHM CCOC(=O)c1nc([C@@H]2CSc3ccccc32)n[n-]1 ZINC000092240442 180351802 /nfs/dbraw/zinc/35/18/02/180351802.db2.gz AQKMRPLVYVPVEJ-SECBINFHSA-N -1 3 275.333 2.219 10 0 CEAEHM CCOC(=O)c1nnc([C@@H]2CSc3ccccc32)[n-]1 ZINC000092240442 180351804 /nfs/dbraw/zinc/35/18/04/180351804.db2.gz AQKMRPLVYVPVEJ-SECBINFHSA-N -1 3 275.333 2.219 10 0 CEAEHM CCOC(=O)c1n[n-]c([C@@H]2CSc3ccccc32)n1 ZINC000092240442 180351806 /nfs/dbraw/zinc/35/18/06/180351806.db2.gz AQKMRPLVYVPVEJ-SECBINFHSA-N -1 3 275.333 2.219 10 0 CEAEHM O=c1c2ccccc2[n-]c(=S)n1[C@H]1CCN(C2CC2)C1 ZINC000105988598 186096938 /nfs/dbraw/zinc/09/69/38/186096938.db2.gz DCLKZQQEHLESFA-NSHDSACASA-N -1 3 287.388 2.094 10 0 CEAEHM O=c1c2ccccc2[n-]c(=S)n1[C@@H]1CCN(C2CC2)C1 ZINC000105988595 186096980 /nfs/dbraw/zinc/09/69/80/186096980.db2.gz DCLKZQQEHLESFA-LLVKDONJSA-N -1 3 287.388 2.094 10 0 CEAEHM Cc1[n-]n([C@@H]2CCCCC[C@@H]2O)c(=O)c1C(C)C ZINC000108459951 186217283 /nfs/dbraw/zinc/21/72/83/186217283.db2.gz GUHVKTXXKJTDEC-AGIUHOORSA-N -1 3 252.358 2.170 10 0 CEAEHM COc1cccc(Cc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000109523742 186259299 /nfs/dbraw/zinc/25/92/99/186259299.db2.gz FMKYMUDRGQFEKZ-UHFFFAOYSA-N -1 3 256.305 2.247 10 0 CEAEHM O=c1[n-]c(-c2ccc3c(c2)OCO3)nc2c1CCCCC2 ZINC000109521535 186259553 /nfs/dbraw/zinc/25/95/53/186259553.db2.gz CUDUITTUUNSXMM-UHFFFAOYSA-N -1 3 284.315 2.435 10 0 CEAEHM CCN(Cc1ccc(C(=O)[O-])s1)[C@@H](C)COC ZINC000109602091 186266446 /nfs/dbraw/zinc/26/64/46/186266446.db2.gz AEWVNHPKMJTOFG-VIFPVBQESA-N -1 3 257.355 2.303 10 0 CEAEHM CCOC(=O)c1nnc(-c2ccc(OCC)cc2)[n-]1 ZINC000109605483 186267633 /nfs/dbraw/zinc/26/76/33/186267633.db2.gz TYLWKCNMPPTRSW-UHFFFAOYSA-N -1 3 261.281 2.047 10 0 CEAEHM CCOC(=O)c1nc(-c2ccc(OCC)cc2)n[n-]1 ZINC000109605483 186267634 /nfs/dbraw/zinc/26/76/34/186267634.db2.gz TYLWKCNMPPTRSW-UHFFFAOYSA-N -1 3 261.281 2.047 10 0 CEAEHM CC[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)CCN1C ZINC000110760799 186322599 /nfs/dbraw/zinc/32/25/99/186322599.db2.gz AMNRGWIUHLFJCW-ZDUSSCGKSA-N -1 3 280.343 2.050 10 0 CEAEHM COc1cccc(CN2CCCC[C@@H]2C(=O)[O-])c1F ZINC000159015007 540066936 /nfs/dbraw/zinc/06/69/36/540066936.db2.gz QZGXSLMKPCEBEJ-LLVKDONJSA-N -1 3 267.300 2.273 10 0 CEAEHM C[C@@H]1CCSCCN1Cc1ncccc1C(=O)[O-] ZINC000385184891 540225050 /nfs/dbraw/zinc/22/50/50/540225050.db2.gz KLRIBCZJVGGTRH-SNVBAGLBSA-N -1 3 266.366 2.107 10 0 CEAEHM C[C@H]1CCSCCN1Cc1ncccc1C(=O)[O-] ZINC000385184890 540225190 /nfs/dbraw/zinc/22/51/90/540225190.db2.gz KLRIBCZJVGGTRH-JTQLQIEISA-N -1 3 266.366 2.107 10 0 CEAEHM CC1CCC(N(C)Cc2oncc2C(=O)[O-])CC1 ZINC000310663042 540349605 /nfs/dbraw/zinc/34/96/05/540349605.db2.gz FFKPJQNDOBROCO-UHFFFAOYSA-N -1 3 252.314 2.383 10 0 CEAEHM O=c1[nH]c2cc(O)cc(O)c2cc1-c1ccc([O-])cc1 ZINC000026568714 361642443 /nfs/dbraw/zinc/64/24/43/361642443.db2.gz WWGWIVQHGAYORR-UHFFFAOYSA-N -1 3 269.256 2.312 10 0 CEAEHM C[C@H]1[C@@H](O)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000335474653 364782916 /nfs/dbraw/zinc/78/29/16/364782916.db2.gz SPCBBWDKEMLBAR-UFBFGSQYSA-N -1 3 269.728 2.031 10 0 CEAEHM O=C([N-]OC[C@@H]1CCOC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000191812250 369744371 /nfs/dbraw/zinc/74/43/71/369744371.db2.gz CDDMJQCQRNUXFG-USWWRNFRSA-N -1 3 297.301 2.153 10 0 CEAEHM O=C([N-]C1(c2noc(C3CC3)n2)CCCC1)C(F)F ZINC000194722569 370068553 /nfs/dbraw/zinc/06/85/53/370068553.db2.gz FCDJKOHQHQAIBA-UHFFFAOYSA-N -1 3 271.267 2.098 10 0 CEAEHM S=c1[n-]c(CN2CCC2)ncc1Br ZINC000307757340 376571188 /nfs/dbraw/zinc/57/11/88/376571188.db2.gz KYBICSVPSSMZNL-UHFFFAOYSA-N -1 3 260.160 2.107 10 0 CEAEHM C[C@H]1C[C@@H](N2CC(n3cc(C(=O)[O-])nn3)C2)CC(C)(C)C1 ZINC000092699365 184621286 /nfs/dbraw/zinc/62/12/86/184621286.db2.gz HVFXMSDWCQWOAZ-WDEREUQCSA-N -1 3 292.383 2.048 10 0 CEAEHM C[C@@H]1CCC[C@@](N)(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000080925763 177730302 /nfs/dbraw/zinc/73/03/02/177730302.db2.gz MUMFBEPYBQWDID-DOMZBBRYSA-N -1 3 284.400 2.045 10 0 CEAEHM O=C([O-])CC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000088255939 135053622 /nfs/dbraw/zinc/05/36/22/135053622.db2.gz OBPMUFWKKDEBHT-UHFFFAOYSA-N -1 3 274.364 2.064 10 0 CEAEHM C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc(C(=O)[O-])cc1 ZINC000094440360 135088527 /nfs/dbraw/zinc/08/85/27/135088527.db2.gz AKYKJHROBZBKTR-IUODEOHRSA-N -1 3 274.364 2.448 10 0 CEAEHM CC(C)[C@@H]1CN(Cc2ncccc2C(=O)[O-])CCCO1 ZINC000382350650 395180844 /nfs/dbraw/zinc/18/08/44/395180844.db2.gz PLNJIUIBIJRDME-AWEZNQCLSA-N -1 3 278.352 2.027 10 0 CEAEHM O=c1[nH]c(=S)[n-]c2nc(N3CCCC3)sc21 ZINC000021948876 296589165 /nfs/dbraw/zinc/58/91/65/296589165.db2.gz RIBSJIMIUBTPHY-UHFFFAOYSA-N -1 3 254.340 2.055 10 0 CEAEHM CCOc1ccc2ncc(C(=O)[O-])c(N(C)C)c2c1 ZINC000032500224 286570985 /nfs/dbraw/zinc/57/09/85/286570985.db2.gz KRCQDUJKHMEMJU-UHFFFAOYSA-N -1 3 260.293 2.398 10 0 CEAEHM COc1cccc(C(=O)N[C@@H](C)c2ccco2)c1[O-] ZINC000035134898 172001618 /nfs/dbraw/zinc/00/16/18/172001618.db2.gz IJCJYZNGDMCBSE-VIFPVBQESA-N -1 3 261.277 2.485 10 0 CEAEHM C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)c1ccco1 ZINC000035739418 172393515 /nfs/dbraw/zinc/39/35/15/172393515.db2.gz FGKJSQBSVRJAIN-QMMMGPOBSA-N -1 3 286.740 2.368 10 0 CEAEHM COc1ccc(OC)c([C@@](C)(NC(C)C)C(=O)[O-])c1 ZINC000037182913 173014951 /nfs/dbraw/zinc/01/49/51/173014951.db2.gz XUEIIMJDSDMFDE-CQSZACIVSA-N -1 3 267.325 2.002 10 0 CEAEHM O=C1[N-]C(=O)c2cc(NC(C3CC3)C3CC3)ccc21 ZINC000037466647 173226809 /nfs/dbraw/zinc/22/68/09/173226809.db2.gz QSRPKNIZVLYQTB-UHFFFAOYSA-N -1 3 256.305 2.171 10 0 CEAEHM CCC[C@H](N)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000040469547 174278417 /nfs/dbraw/zinc/27/84/17/174278417.db2.gz CWNBORWSGLSDTA-VIFPVBQESA-N -1 3 270.716 2.104 10 0 CEAEHM Cc1ccc(NC(=O)[C@@H](N)C(C)(C)C)c(C(=O)[O-])c1 ZINC000040480238 174284611 /nfs/dbraw/zinc/28/46/11/174284611.db2.gz GIBCVMMPKAAOKW-LLVKDONJSA-N -1 3 264.325 2.005 10 0 CEAEHM NC1(C(=O)N(CC(=O)[O-])c2ccc(Cl)cc2)CCCC1 ZINC000040484772 174288200 /nfs/dbraw/zinc/28/82/00/174288200.db2.gz HGYGOUPBVHXBNL-UHFFFAOYSA-N -1 3 296.754 2.029 10 0 CEAEHM CCCC[C@H](N)C(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000040484780 174288249 /nfs/dbraw/zinc/28/82/49/174288249.db2.gz NHOYFDJVRMTIHV-LBPRGKRZSA-N -1 3 298.770 2.275 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000040490742 174292082 /nfs/dbraw/zinc/29/20/82/174292082.db2.gz GXDDHCQBESVDTF-KYOSRNDESA-N -1 3 292.379 2.082 10 0 CEAEHM CC(C)Oc1ccc([C@H](C)N[C@@H](C)c2nn[n-]n2)cc1 ZINC000044888271 175271074 /nfs/dbraw/zinc/27/10/74/175271074.db2.gz QOOHWMWHGYJMFU-QWRGUYRKSA-N -1 3 275.356 2.399 10 0 CEAEHM C[C@H](N[C@H]1CCCCc2ccccc21)c1nn[n-]n1 ZINC000044888440 175271684 /nfs/dbraw/zinc/27/16/84/175271684.db2.gz CBYSZCLALONBMM-GWCFXTLKSA-N -1 3 257.341 2.318 10 0 CEAEHM C[C@H](N[C@H]1CCCCc2ccccc21)c1nnn[n-]1 ZINC000044888440 175271685 /nfs/dbraw/zinc/27/16/85/175271685.db2.gz CBYSZCLALONBMM-GWCFXTLKSA-N -1 3 257.341 2.318 10 0 CEAEHM Cc1cc(N[C@H](C)c2nnn[n-]2)c2ccccc2n1 ZINC000044931381 175279549 /nfs/dbraw/zinc/27/95/49/175279549.db2.gz FGRQQALEVNQTMS-SECBINFHSA-N -1 3 254.297 2.229 10 0 CEAEHM CC1([N-]S(=O)(=O)c2cnc(Cl)nc2)CCCCC1 ZINC000045046548 175296062 /nfs/dbraw/zinc/29/60/62/175296062.db2.gz BKYWGVBJNBGFMV-UHFFFAOYSA-N -1 3 289.788 2.131 10 0 CEAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1nccs1 ZINC000070942253 176015460 /nfs/dbraw/zinc/01/54/60/176015460.db2.gz JTVPEAURBONOLW-MRVPVSSYSA-N -1 3 286.353 2.322 10 0 CEAEHM CC(C)CCC[N-]S(=O)(=O)c1cnccc1Cl ZINC000071204363 176079373 /nfs/dbraw/zinc/07/93/73/176079373.db2.gz PYVJIJCMKYKBGY-UHFFFAOYSA-N -1 3 276.789 2.450 10 0 CEAEHM O=C([O-])c1ccc(CN[C@@H]2CCC[C@H]2n2ccnc2)o1 ZINC000071381262 176144754 /nfs/dbraw/zinc/14/47/54/176144754.db2.gz BPTNWFAYZOGWMK-VXGBXAGGSA-N -1 3 275.308 2.058 10 0 CEAEHM Nc1[nH][n-]c(=O)c1Cc1cc(Br)cs1 ZINC000076420263 177023555 /nfs/dbraw/zinc/02/35/55/177023555.db2.gz AAAGCSZAMWRVLS-UHFFFAOYSA-N -1 3 274.143 2.112 10 0 CEAEHM COC(=O)c1n[n-]c2cc(Br)cc(F)c21 ZINC000042689538 277172197 /nfs/dbraw/zinc/17/21/97/277172197.db2.gz HZTYDUMMKKHYGM-UHFFFAOYSA-N -1 3 273.061 2.251 10 0 CEAEHM CCN(CC(=O)N[C@@H](C)c1cccs1)[C@@H](C)CC(=O)[O-] ZINC000061182509 520343051 /nfs/dbraw/zinc/34/30/51/520343051.db2.gz SJBHWRFBPDAGBF-QWRGUYRKSA-N -1 3 298.408 2.110 10 0 CEAEHM CCC(CC)NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925732 521575892 /nfs/dbraw/zinc/57/58/92/521575892.db2.gz BFGAIRNAJBINAV-CYBMUJFWSA-N -1 3 284.400 2.011 10 0 CEAEHM CCc1nc(N2CCN([C@@H](C)CC)CC2)sc1C(=O)[O-] ZINC000055076504 522385750 /nfs/dbraw/zinc/38/57/50/522385750.db2.gz GOYKHASJLWJZRA-JTQLQIEISA-N -1 3 297.424 2.324 10 0 CEAEHM CC(C)c1nn(C)cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000050510007 519882633 /nfs/dbraw/zinc/88/26/33/519882633.db2.gz URHDGCKJNBTNRH-HNNXBMFYSA-N -1 3 287.363 2.459 10 0 CEAEHM CCN(CC(=O)Nc1c(C)cccc1C)[C@H](C)CC(=O)[O-] ZINC000061183563 520350959 /nfs/dbraw/zinc/35/09/59/520350959.db2.gz VRFKJJMAVZPUDY-CYBMUJFWSA-N -1 3 292.379 2.427 10 0 CEAEHM CCN(CC(=O)Nc1ccc(C)cc1C)C[C@@H](C)C(=O)[O-] ZINC000061218336 520356593 /nfs/dbraw/zinc/35/65/93/520356593.db2.gz OEJFTQHXXLLXIX-CYBMUJFWSA-N -1 3 292.379 2.285 10 0 CEAEHM CCN(CC(=O)Nc1ccc(C)c(F)c1)C[C@@H](C)C(=O)[O-] ZINC000061219572 520357649 /nfs/dbraw/zinc/35/76/49/520357649.db2.gz UZARYOZLTKSYBH-LLVKDONJSA-N -1 3 296.342 2.115 10 0 CEAEHM CCCn1c(=S)[n-]nc1N1CCN([C@H](C)CC)CC1 ZINC000055068986 521619430 /nfs/dbraw/zinc/61/94/30/521619430.db2.gz JHOGVQXDGQSGSI-LLVKDONJSA-N -1 3 283.445 2.271 10 0 CEAEHM COCC[C@@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000052786152 521864520 /nfs/dbraw/zinc/86/45/20/521864520.db2.gz ANZRZTSJJBREJZ-CYBMUJFWSA-N -1 3 260.293 2.136 10 0 CEAEHM COCc1cc(=O)[n-]c(C(C)(C)c2ccccc2)n1 ZINC000062772799 522903097 /nfs/dbraw/zinc/90/30/97/522903097.db2.gz JNIFVHZEOUKKBB-UHFFFAOYSA-N -1 3 258.321 2.242 10 0 CEAEHM COCc1ccccc1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000049505214 523127956 /nfs/dbraw/zinc/12/79/56/523127956.db2.gz HVJANVUADSPVNS-UHFFFAOYSA-N -1 3 292.360 2.216 10 0 CEAEHM CC[C@H](C)N(CCOC)Cc1ccnc(C(=O)[O-])c1 ZINC000068763732 523939704 /nfs/dbraw/zinc/93/97/04/523939704.db2.gz WYFFCCMZXLJLGR-NSHDSACASA-N -1 3 266.341 2.027 10 0 CEAEHM CC[C@H](C)N1CCN(c2ccc(C(=O)[O-])cc2F)CC1 ZINC000055067539 523960628 /nfs/dbraw/zinc/96/06/28/523960628.db2.gz ZMQQWZGEPMKQSE-NSHDSACASA-N -1 3 280.343 2.444 10 0 CEAEHM C[C@@H](CC(=O)N1CCCN(CC(=O)[O-])CC1)CC(C)(C)C ZINC000061126073 524351892 /nfs/dbraw/zinc/35/18/92/524351892.db2.gz QTMLIGWFIPRCEY-ZDUSSCGKSA-N -1 3 298.427 2.068 10 0 CEAEHM C[C@H](C(=O)NC(C)(C)C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925392 526018013 /nfs/dbraw/zinc/01/80/13/526018013.db2.gz SWGIJBBLJCMJFH-VXGBXAGGSA-N -1 3 284.400 2.009 10 0 CEAEHM Cc1cnc(CNc2nc(C)cc(C)c2C(=O)[O-])cn1 ZINC000061323019 526053474 /nfs/dbraw/zinc/05/34/74/526053474.db2.gz KBZDFPCDXRUGKR-UHFFFAOYSA-N -1 3 272.308 2.107 10 0 CEAEHM O=C([O-])[C@H](NCc1c(F)cccc1Cl)C1CC1 ZINC000054522410 526313005 /nfs/dbraw/zinc/31/30/05/526313005.db2.gz DBVYXIZEUGNELK-LLVKDONJSA-N -1 3 257.692 2.432 10 0 CEAEHM Cc1nc(C)c([C@H](C)Nc2cnn(C(C)C)c2)c(=O)[n-]1 ZINC000061683145 526756139 /nfs/dbraw/zinc/75/61/39/526756139.db2.gz CKEPAVKLRAOAIK-JTQLQIEISA-N -1 3 275.356 2.337 10 0 CEAEHM Cn1cccc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000050595591 527399138 /nfs/dbraw/zinc/39/91/38/527399138.db2.gz GGMCHXKCVIDPOL-LLVKDONJSA-N -1 3 264.350 2.392 10 0 CEAEHM CCc1oc2c(c1[O-])c(Br)ccc2N ZINC000757175992 574511274 /nfs/dbraw/zinc/51/12/74/574511274.db2.gz QWTKKFVVLFDKQF-ZETCQYMHSA-N -1 3 256.099 2.385 10 0 CEAEHM CC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1[O-] ZINC000095773722 185028356 /nfs/dbraw/zinc/02/83/56/185028356.db2.gz QAXOUBXQTKPIDF-UHFFFAOYSA-N -1 3 266.297 2.015 10 0 CEAEHM CC(C)(C)OC(=O)[C@H](c1ccccc1Cl)[C@@H](N)C(=O)[O-] ZINC000095932167 185032950 /nfs/dbraw/zinc/03/29/50/185032950.db2.gz BHLAFJUVOAIWLO-GHMZBOCLSA-N -1 3 299.754 2.177 10 0 CEAEHM COc1ccc(S(=O)(=O)[N-]c2cc(N)ccc2F)cc1 ZINC000034955744 361798582 /nfs/dbraw/zinc/79/85/82/361798582.db2.gz FYOSEBPAFBYXCQ-UHFFFAOYSA-N -1 3 296.323 2.217 10 0 CEAEHM CC(C)(C)OC(=O)c1nn[n-]c1C(C)(C)C1CC1 ZINC000725266364 539213638 /nfs/dbraw/zinc/21/36/38/539213638.db2.gz OAFRDUGRJDGVNN-UHFFFAOYSA-N -1 3 251.330 2.448 10 0 CEAEHM CC(C)(C)OC(=O)c1[n-]nnc1C(C)(C)C1CC1 ZINC000725266364 539213640 /nfs/dbraw/zinc/21/36/40/539213640.db2.gz OAFRDUGRJDGVNN-UHFFFAOYSA-N -1 3 251.330 2.448 10 0 CEAEHM CC(C)(C)OC(=O)c1n[n-]nc1C(C)(C)C1CC1 ZINC000725266364 539213642 /nfs/dbraw/zinc/21/36/42/539213642.db2.gz OAFRDUGRJDGVNN-UHFFFAOYSA-N -1 3 251.330 2.448 10 0 CEAEHM CC(C)(C)OC(=O)c1nn[n-]c1[C@@H]1CCCSC1 ZINC000725266301 539213785 /nfs/dbraw/zinc/21/37/85/539213785.db2.gz FFCGCNROMKNFMX-MRVPVSSYSA-N -1 3 269.370 2.371 10 0 CEAEHM CC(C)(C)OC(=O)c1[n-]nnc1[C@@H]1CCCSC1 ZINC000725266301 539213786 /nfs/dbraw/zinc/21/37/86/539213786.db2.gz FFCGCNROMKNFMX-MRVPVSSYSA-N -1 3 269.370 2.371 10 0 CEAEHM CC(C)(C)OC(=O)c1n[n-]nc1[C@@H]1CCCSC1 ZINC000725266301 539213787 /nfs/dbraw/zinc/21/37/87/539213787.db2.gz FFCGCNROMKNFMX-MRVPVSSYSA-N -1 3 269.370 2.371 10 0 CEAEHM O=C([O-])c1ccc2c(c1)CN(CCC1(O)CCC1)CC2 ZINC000396783696 539214086 /nfs/dbraw/zinc/21/40/86/539214086.db2.gz LHSNDFNZCNNSSA-UHFFFAOYSA-N -1 3 275.348 2.048 10 0 CEAEHM CC(C)[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000010493704 343364375 /nfs/dbraw/zinc/36/43/75/343364375.db2.gz DMSACYLIKFWBND-QMMMGPOBSA-N -1 3 263.309 2.288 10 0 CEAEHM Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)c([O-])c1C ZINC000048565336 362285262 /nfs/dbraw/zinc/28/52/62/362285262.db2.gz JTIKBJMGOFTCQY-YPMHNXCESA-N -1 3 263.337 2.306 10 0 CEAEHM CC(=O)[N-]C(=O)c1ccc(Br)c(C)c1 ZINC000132070708 344361224 /nfs/dbraw/zinc/36/12/24/344361224.db2.gz YZKNHRFKSXTEHI-UHFFFAOYSA-N -1 3 256.099 2.034 10 0 CEAEHM [O-]c1ccc(Br)nc1OC(F)(F)F ZINC000238711801 344608366 /nfs/dbraw/zinc/60/83/66/344608366.db2.gz VYLVVUUWKRBXMQ-UHFFFAOYSA-N -1 3 257.993 2.448 10 0 CEAEHM CC1(C)CCCC[C@@H]1NCc1oncc1C(=O)[O-] ZINC000306091607 344711568 /nfs/dbraw/zinc/71/15/68/344711568.db2.gz JZYPGAKOWRCNIN-NSHDSACASA-N -1 3 252.314 2.431 10 0 CEAEHM CSC[C@@H]1CCCN1Cc1ncccc1C(=O)[O-] ZINC000400027177 344859444 /nfs/dbraw/zinc/85/94/44/344859444.db2.gz FMCBBQNQYMEXOP-JTQLQIEISA-N -1 3 266.366 2.107 10 0 CEAEHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](N)CCC(=O)[O-] ZINC000085838899 179184648 /nfs/dbraw/zinc/18/46/48/179184648.db2.gz QKMSTQKYYHZTMC-SKDRFNHKSA-N -1 3 298.770 2.052 10 0 CEAEHM Cc1cccc(C(=O)NCC(=O)c2ccccc2)c1[O-] ZINC000086512076 179304427 /nfs/dbraw/zinc/30/44/27/179304427.db2.gz CIAWSSUBPHPCBZ-UHFFFAOYSA-N -1 3 269.300 2.313 10 0 CEAEHM C[C@H](c1ccccc1F)N1CCC(OCC(=O)[O-])CC1 ZINC000086773525 179326620 /nfs/dbraw/zinc/32/66/20/179326620.db2.gz VBHZQRSZZZCMJO-LLVKDONJSA-N -1 3 281.327 2.452 10 0 CEAEHM CC[C@H](c1ccco1)N1CCC(OCC(=O)[O-])CC1 ZINC000086773434 179326953 /nfs/dbraw/zinc/32/69/53/179326953.db2.gz UPQLPHWWUROQKL-GFCCVEGCSA-N -1 3 267.325 2.296 10 0 CEAEHM CCOc1cc2c(cc1CN(CC)CC(=O)[O-])O[C@H](C)C2 ZINC000086775124 179328218 /nfs/dbraw/zinc/32/82/18/179328218.db2.gz KMXSQSINOIDUOT-LLVKDONJSA-N -1 3 293.363 2.315 10 0 CEAEHM Cc1nc([C@H](C)N2CC[C@H](C(=O)[O-])C2)c(C)s1 ZINC000086789543 179335072 /nfs/dbraw/zinc/33/50/72/179335072.db2.gz ZYEVWHVFUHYORQ-XVKPBYJWSA-N -1 3 254.355 2.227 10 0 CEAEHM O=C([O-])C[C@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000086791101 179336484 /nfs/dbraw/zinc/33/64/84/179336484.db2.gz FEZHQCDHDORSLT-SNVBAGLBSA-N -1 3 255.264 2.404 10 0 CEAEHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(CN)c1F ZINC000088978402 179689733 /nfs/dbraw/zinc/68/97/33/179689733.db2.gz DOJCACZDIGSLSA-SSDOTTSWSA-N -1 3 294.779 2.015 10 0 CEAEHM CCn1nc(C)c(Cl)c1CN[C@@H](CC(C)C)C(=O)[O-] ZINC000089281406 179764688 /nfs/dbraw/zinc/76/46/88/179764688.db2.gz KNUCCDULVXNPHV-JTQLQIEISA-N -1 3 287.791 2.454 10 0 CEAEHM CCN(Cc1ccc(Cl)s1)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090475451 179989793 /nfs/dbraw/zinc/98/97/93/179989793.db2.gz LDWSXPMFDPQTHE-UWVGGRQHSA-N -1 3 289.784 2.323 10 0 CEAEHM CCOc1ccc(CN(CC)[C@@H]2COC[C@@H]2C(=O)[O-])cc1 ZINC000090476923 179990888 /nfs/dbraw/zinc/99/08/88/179990888.db2.gz YFRVUNFYOXIASC-LSDHHAIUSA-N -1 3 293.363 2.007 10 0 CEAEHM CCN(CC)[C@@H](CC(=O)[O-])c1cncn1C1CC1 ZINC000091277764 180119877 /nfs/dbraw/zinc/11/98/77/180119877.db2.gz FQHXRRQYZRZMOP-NSHDSACASA-N -1 3 251.330 2.076 10 0 CEAEHM CCC[C@@H](NC(=O)c1c[n-]nn1)c1cccs1 ZINC000108909409 186235879 /nfs/dbraw/zinc/23/58/79/186235879.db2.gz RJVWVEHHHOYWSR-MRVPVSSYSA-N -1 3 250.327 2.137 10 0 CEAEHM CCC[C@@H](NC(=O)c1cnn[n-]1)c1cccs1 ZINC000108909409 186235881 /nfs/dbraw/zinc/23/58/81/186235881.db2.gz RJVWVEHHHOYWSR-MRVPVSSYSA-N -1 3 250.327 2.137 10 0 CEAEHM CCC[C@@H](NC(=O)c1cn[n-]n1)c1cccs1 ZINC000108909409 186235883 /nfs/dbraw/zinc/23/58/83/186235883.db2.gz RJVWVEHHHOYWSR-MRVPVSSYSA-N -1 3 250.327 2.137 10 0 CEAEHM CCOC(=O)c1nc(CCc2ccccc2C)n[n-]1 ZINC000109605713 186267555 /nfs/dbraw/zinc/26/75/55/186267555.db2.gz GCDSBEYSFSMXAQ-UHFFFAOYSA-N -1 3 259.309 2.075 10 0 CEAEHM CCOC(=O)c1nnc(CCc2ccccc2C)[n-]1 ZINC000109605713 186267557 /nfs/dbraw/zinc/26/75/57/186267557.db2.gz GCDSBEYSFSMXAQ-UHFFFAOYSA-N -1 3 259.309 2.075 10 0 CEAEHM CCOC(=O)c1n[n-]c(CCc2ccccc2C)n1 ZINC000109605713 186267559 /nfs/dbraw/zinc/26/75/59/186267559.db2.gz GCDSBEYSFSMXAQ-UHFFFAOYSA-N -1 3 259.309 2.075 10 0 CEAEHM Cc1ccc(NC(=O)C2(N)CCCCC2)cc1C(=O)[O-] ZINC000110988474 186340294 /nfs/dbraw/zinc/34/02/94/186340294.db2.gz RLRXUFKOLYETOA-UHFFFAOYSA-N -1 3 276.336 2.293 10 0 CEAEHM Cc1cc(N)cc(S(=O)(=O)[N-]c2ccncc2C)c1 ZINC000111043171 186347409 /nfs/dbraw/zinc/34/74/09/186347409.db2.gz HDSWCVHLIYTYIO-UHFFFAOYSA-N -1 3 277.349 2.081 10 0 CEAEHM C[C@@H]1CN(Cc2cc(-c3ccccc3)on2)C[C@@H]1C(=O)[O-] ZINC000111255479 186379262 /nfs/dbraw/zinc/37/92/62/186379262.db2.gz VJRGBLITLARPGV-RISCZKNCSA-N -1 3 286.331 2.494 10 0 CEAEHM CCOC(=O)c1cc2ccc(Cl)cc2c(=O)[n-]1 ZINC000224825145 540162000 /nfs/dbraw/zinc/16/20/00/540162000.db2.gz DREHGBKHDSRWKH-UHFFFAOYSA-N -1 3 251.669 2.358 10 0 CEAEHM O=C(N[C@H]1CCC[C@H](O)C1)c1cc([O-])ccc1Cl ZINC000685622874 540356923 /nfs/dbraw/zinc/35/69/23/540356923.db2.gz OCKBMFCMXYHLQS-IUCAKERBSA-N -1 3 269.728 2.079 10 0 CEAEHM CC[C@@H](CO)Nc1cc(C)nc2ccc(C(=O)[O-])cc21 ZINC000004226485 361306663 /nfs/dbraw/zinc/30/66/63/361306663.db2.gz JGTFBSDFPRZGGU-NSHDSACASA-N -1 3 274.320 2.424 10 0 CEAEHM C[C@H](NCc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CCCO1 ZINC000183180136 189349091 /nfs/dbraw/zinc/34/90/91/189349091.db2.gz VHVKKIDSWVIJBT-HZMBPMFUSA-N -1 3 289.331 2.156 10 0 CEAEHM Cc1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000116119589 365037206 /nfs/dbraw/zinc/03/72/06/365037206.db2.gz UCQSAMXRWHQCEN-LBPRGKRZSA-N -1 3 285.347 2.064 10 0 CEAEHM Cc1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000116119591 365037546 /nfs/dbraw/zinc/03/75/46/365037546.db2.gz UCQSAMXRWHQCEN-GFCCVEGCSA-N -1 3 285.347 2.064 10 0 CEAEHM CCC[C@@H](C(=O)Nc1ccc(C)cc1[O-])N(C)C ZINC000159279306 366896642 /nfs/dbraw/zinc/89/66/42/366896642.db2.gz CKCUDHCSDXHBDO-LBPRGKRZSA-N -1 3 250.342 2.369 10 0 CEAEHM Cc1cnc([C@@H](C)NC(=O)c2cccc(C)c2[O-])o1 ZINC000226614181 370349119 /nfs/dbraw/zinc/34/91/19/370349119.db2.gz IDUGUPOKTWWUHF-SNVBAGLBSA-N -1 3 260.293 2.488 10 0 CEAEHM Cc1cnc([C@@H](C)NC(=O)c2cc(C)ccc2[O-])o1 ZINC000226615715 370349438 /nfs/dbraw/zinc/34/94/38/370349438.db2.gz QFSFFHYSYRVQBB-SNVBAGLBSA-N -1 3 260.293 2.488 10 0 CEAEHM CCOC(=O)Cc1cc(F)c(Br)cc1[O-] ZINC000260917212 371636240 /nfs/dbraw/zinc/63/62/40/371636240.db2.gz KCCQQBQTFJZVRQ-UHFFFAOYSA-N -1 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/nfs/dbraw/zinc/27/11/15/175271115.db2.gz FFJAPIFFBLPODE-SNVBAGLBSA-N -1 3 253.309 2.204 10 0 CEAEHM COc1ccc2cc(CN[C@H](C)c3nn[n-]n3)ccc2c1 ZINC000044887907 175271605 /nfs/dbraw/zinc/27/16/05/175271605.db2.gz MBOGABJGOLRMKG-SNVBAGLBSA-N -1 3 283.335 2.212 10 0 CEAEHM C[C@@H]([N-]S(=O)(=O)c1c(N)cccc1F)c1ccco1 ZINC000045147664 175317893 /nfs/dbraw/zinc/31/78/93/175317893.db2.gz CQMACWGVZJSDBI-MRVPVSSYSA-N -1 3 284.312 2.040 10 0 CEAEHM CC(C)c1csc([N-]c2cnc(C(N)=S)cn2)n1 ZINC000071181013 176056832 /nfs/dbraw/zinc/05/68/32/176056832.db2.gz VRKLUOYEERLFEX-UHFFFAOYSA-N -1 3 279.394 2.434 10 0 CEAEHM O=C([O-])CCCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000071286631 176109520 /nfs/dbraw/zinc/10/95/20/176109520.db2.gz XOLHVGUDBLBPSJ-STQMWFEESA-N -1 3 255.358 2.275 10 0 CEAEHM CCc1ccc(OC)c([C@@H](C(=O)[O-])N(C)C2CC2)c1 ZINC000076361638 177002428 /nfs/dbraw/zinc/00/24/28/177002428.db2.gz XCFHHJTWAPSHHB-AWEZNQCLSA-N -1 3 263.337 2.478 10 0 CEAEHM COc1ccc(F)cc1[C@@H](C(=O)[O-])N(C)CC1CC1 ZINC000076376450 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ZINC000061320874 526040623 /nfs/dbraw/zinc/04/06/23/526040623.db2.gz OZWKFPYPNXWMCK-UHFFFAOYSA-N -1 3 263.728 2.434 10 0 CEAEHM Nc1ccc(-c2nncn2-c2ccccc2)c([O-])c1 ZINC000054526821 527465169 /nfs/dbraw/zinc/46/51/69/527465169.db2.gz VLYAFYJHDZNHMU-UHFFFAOYSA-N -1 3 252.277 2.222 10 0 CEAEHM CC(C)N1C[C@@H](C(=O)[O-])[C@@H](c2cc(F)cc(F)c2)C1 ZINC000757193351 574512071 /nfs/dbraw/zinc/51/20/71/574512071.db2.gz SWTAYIOQIBNSQJ-CHWSQXEVSA-N -1 3 269.291 2.473 10 0 CEAEHM CC(C)N1C[C@@H](C)[C@H](NC(=O)c2c([O-])cc(F)cc2F)C1 ZINC000246339726 539319040 /nfs/dbraw/zinc/31/90/40/539319040.db2.gz GVMXIXNWQJNMFV-BXKDBHETSA-N -1 3 298.333 2.129 10 0 CEAEHM CCOC(=O)Cc1c([O-])cccc1Br ZINC000238257031 344606211 /nfs/dbraw/zinc/60/62/11/344606211.db2.gz QBOXQZGHBVWWFM-UHFFFAOYSA-N -1 3 259.099 2.260 10 0 CEAEHM CC(C)(C(=O)[O-])[C@H](N)c1occc1Br ZINC000307539174 344723424 /nfs/dbraw/zinc/72/34/24/344723424.db2.gz XRSMUKNHSYPPFU-SSDOTTSWSA-N -1 3 262.103 2.153 10 0 CEAEHM COC(=O)C(=C(C)[O-])c1ccc(F)cc1Br ZINC000584606876 344964190 /nfs/dbraw/zinc/96/41/90/344964190.db2.gz IWDJUFRUDUYIIQ-SNVBAGLBSA-N -1 3 289.100 2.434 10 0 CEAEHM CS[C@@H]1CCCCN(Cc2ncccc2C(=O)[O-])C1 ZINC000593744747 345531532 /nfs/dbraw/zinc/53/15/32/345531532.db2.gz VDLXQZHYCCLKCQ-LLVKDONJSA-N -1 3 280.393 2.497 10 0 CEAEHM O=C(N[C@H]1COc2ccccc21)c1ccccc1[O-] ZINC000058725931 362636080 /nfs/dbraw/zinc/63/60/80/362636080.db2.gz RHYFPXAVGLXWLY-LBPRGKRZSA-N -1 3 255.273 2.256 10 0 CEAEHM CC(C)CCN(CCC(C)C)C(=O)[C@H](N)CCC(=O)[O-] ZINC000085838768 179183899 /nfs/dbraw/zinc/18/38/99/179183899.db2.gz FJNXQPWXXGFSNA-CYBMUJFWSA-N -1 3 286.416 2.099 10 0 CEAEHM N[C@H](CC(=O)[O-])C(=O)Nc1ccccc1-c1cccs1 ZINC000085814208 179179252 /nfs/dbraw/zinc/17/92/52/179179252.db2.gz GYRORYXKFACGMT-SNVBAGLBSA-N -1 3 290.344 2.156 10 0 CEAEHM Cc1cc(C)c(C(=O)[O-])c(NC[C@H]2CCCC[C@@H]2O)n1 ZINC000086016934 179216419 /nfs/dbraw/zinc/21/64/19/179216419.db2.gz FEARCLFLXNPKLS-NEPJUHHUSA-N -1 3 278.352 2.360 10 0 CEAEHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2)[C@@H]1C ZINC000086075288 179224826 /nfs/dbraw/zinc/22/48/26/179224826.db2.gz JDDQDCWSGVMIGY-FXPVBKGRSA-N -1 3 288.800 2.448 10 0 CEAEHM O=C(CNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000086511984 179304589 /nfs/dbraw/zinc/30/45/89/179304589.db2.gz BVCMHYPPXNFSOD-UHFFFAOYSA-N -1 3 255.273 2.005 10 0 CEAEHM C[C@@H](c1cccnc1)N1CCC(OCCC(=O)[O-])CC1 ZINC000086773803 179326520 /nfs/dbraw/zinc/32/65/20/179326520.db2.gz LIPOFUYHACHKRF-LBPRGKRZSA-N -1 3 278.352 2.098 10 0 CEAEHM O=C([O-])COC1CCN([C@@H]2CCOc3ccccc32)CC1 ZINC000086773373 179327099 /nfs/dbraw/zinc/32/70/99/179327099.db2.gz DYMMULZIDUTNDG-CQSZACIVSA-N -1 3 291.347 2.076 10 0 CEAEHM CCn1cc([C@@H](C)N2CCCC[C@@H]2CC(=O)[O-])cn1 ZINC000086775522 179327350 /nfs/dbraw/zinc/32/73/50/179327350.db2.gz PDAHPWWITARHCK-DGCLKSJQSA-N -1 3 265.357 2.293 10 0 CEAEHM CCn1cc([C@H](C)N2CCCC[C@@H]2CC(=O)[O-])cn1 ZINC000086775523 179328227 /nfs/dbraw/zinc/32/82/27/179328227.db2.gz PDAHPWWITARHCK-WCQYABFASA-N -1 3 265.357 2.293 10 0 CEAEHM Cc1ccc(C(=O)NC[C@@]2(O)CCC[C@H](C)C2)c([O-])c1 ZINC000087074571 179391972 /nfs/dbraw/zinc/39/19/72/179391972.db2.gz ROOPIFVILLGSSI-BLLLJJGKSA-N -1 3 277.364 2.372 10 0 CEAEHM Cc1ccc([O-])c(C(=O)NC[C@]2(O)CCC[C@H](C)C2)c1 ZINC000087074935 179392456 /nfs/dbraw/zinc/39/24/56/179392456.db2.gz CPGJSDRLMWIZQK-LRDDRELGSA-N -1 3 277.364 2.372 10 0 CEAEHM O=c1[n-]c([C@H]2CCc3ccccc3C2)nc2c1CCCN2 ZINC000088043619 179538677 /nfs/dbraw/zinc/53/86/77/179538677.db2.gz ZEQJSXHTXBSXDC-ZDUSSCGKSA-N -1 3 281.359 2.401 10 0 CEAEHM C[C@H]([N-]S(=O)(=O)c1ccc(C=O)o1)c1ccsc1 ZINC000088541565 179619769 /nfs/dbraw/zinc/61/97/69/179619769.db2.gz NLELRWPCSGFIOB-QMMMGPOBSA-N -1 3 285.346 2.193 10 0 CEAEHM CC[C@]1(C(=O)[O-])CCN(Cc2ccncc2Cl)C1 ZINC000088782396 179671532 /nfs/dbraw/zinc/67/15/32/179671532.db2.gz IAKJMMTWYVBTRN-ZDUSSCGKSA-N -1 3 268.744 2.422 10 0 CEAEHM CCn1nc(C)c(Cl)c1CNC[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000089443720 179790767 /nfs/dbraw/zinc/79/07/67/179790767.db2.gz SBLTWCISLUCHCI-QWRGUYRKSA-N -1 3 299.802 2.455 10 0 CEAEHM CCCN(Cc1cccc(OC)c1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090528337 179998151 /nfs/dbraw/zinc/99/81/51/179998151.db2.gz VJGPJLTZXPJCMC-LSDHHAIUSA-N -1 3 293.363 2.007 10 0 CEAEHM CCn1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000091013165 180086032 /nfs/dbraw/zinc/08/60/32/180086032.db2.gz TZAVKPHYPWZFOY-CQSZACIVSA-N -1 3 258.321 2.424 10 0 CEAEHM CC[N-]S(=O)(=O)c1occc1-c1ccc(F)cc1 ZINC000675055320 539763319 /nfs/dbraw/zinc/76/33/19/539763319.db2.gz ZWZRWUCJTVAITQ-UHFFFAOYSA-N -1 3 269.297 2.384 10 0 CEAEHM CC(C)(C)OC([O-])=NC(=S)C=CN1CCCC1 ZINC000104676338 186011881 /nfs/dbraw/zinc/01/18/81/186011881.db2.gz UBEVIHKFZSJRJR-RMKNXTFCSA-N -1 3 256.371 2.448 10 0 CEAEHM CC(C)(C)OC(=O)[N-]C(=S)C=CN1CCCC1 ZINC000104676338 186011883 /nfs/dbraw/zinc/01/18/83/186011883.db2.gz UBEVIHKFZSJRJR-RMKNXTFCSA-N -1 3 256.371 2.448 10 0 CEAEHM CC(C)n1cncc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000091274024 180119083 /nfs/dbraw/zinc/11/90/83/180119083.db2.gz STESCNMITMPNFF-LBPRGKRZSA-N -1 3 265.357 2.293 10 0 CEAEHM O=C([O-])C[C@H]1CN(C2CCCCCCC2)CCO1 ZINC000091298482 180125342 /nfs/dbraw/zinc/12/53/42/180125342.db2.gz KOOZIMLFIYYIEV-ZDUSSCGKSA-N -1 3 255.358 2.275 10 0 CEAEHM CC(C)n1c(=S)[n-]nc1N1CCC[C@H](N(C)C)C1 ZINC000091392143 180144896 /nfs/dbraw/zinc/14/48/96/180144896.db2.gz OXKSQEBKHLLTMH-JTQLQIEISA-N -1 3 269.418 2.052 10 0 CEAEHM CCC[C@@]1(C(=O)[O-])CC[N@H+](Cc2nc(C)ccc2[O-])C1 ZINC000091996728 180302884 /nfs/dbraw/zinc/30/28/84/180302884.db2.gz ZYKRHJRBXQYEQM-OAHLLOKOSA-N -1 3 278.352 2.172 10 0 CEAEHM CCC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2nc(C)ccc2[O-])C1 ZINC000091996728 180302886 /nfs/dbraw/zinc/30/28/86/180302886.db2.gz ZYKRHJRBXQYEQM-OAHLLOKOSA-N -1 3 278.352 2.172 10 0 CEAEHM CN1CCCC[C@@H]1Cn1c(=O)c2ccccc2[n-]c1=S ZINC000105948094 186093846 /nfs/dbraw/zinc/09/38/46/186093846.db2.gz OCVTUDODYKOKIP-LLVKDONJSA-N -1 3 289.404 2.170 10 0 CEAEHM CN(C)Cc1ccc(C(=O)N(CC(=O)[O-])C(C)(C)C)cc1 ZINC000092446642 180386483 /nfs/dbraw/zinc/38/64/83/180386483.db2.gz LYEFHBVBVUVIKR-UHFFFAOYSA-N -1 3 292.379 2.074 10 0 CEAEHM O=c1cc(C2CC2)nc(-c2ccc3c(c2)CCO3)[n-]1 ZINC000109524696 186260389 /nfs/dbraw/zinc/26/03/89/186260389.db2.gz WBBKHYLZNMJHPE-UHFFFAOYSA-N -1 3 254.289 2.249 10 0 CEAEHM C[C@@H](CN1CCCC1)Nc1nc(Cl)ccc1C(=O)[O-] ZINC000109598989 186266105 /nfs/dbraw/zinc/26/61/05/186266105.db2.gz ORFKCOHZDLHHAM-VIFPVBQESA-N -1 3 283.759 2.329 10 0 CEAEHM CCCc1c([O-])nc(CCc2ccccc2)[nH]c1=O ZINC000110620027 186305059 /nfs/dbraw/zinc/30/50/59/186305059.db2.gz SGXRQVRKQOTZJX-UHFFFAOYSA-N -1 3 258.321 2.213 10 0 CEAEHM CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCN1C ZINC000110761716 186322889 /nfs/dbraw/zinc/32/28/89/186322889.db2.gz XPNOGPHABDHCKU-LLVKDONJSA-N -1 3 282.771 2.212 10 0 CEAEHM CC(C)(C)S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000111072766 186351154 /nfs/dbraw/zinc/35/11/54/186351154.db2.gz TXTQIMHCXLEJHV-UHFFFAOYSA-N -1 3 253.327 2.103 10 0 CEAEHM Cc1ccc(C(=O)N2CCC(c3ccnn3C)CC2)c([O-])c1 ZINC000131922438 187595914 /nfs/dbraw/zinc/59/59/14/187595914.db2.gz DBNTVACCSYGUGM-UHFFFAOYSA-N -1 3 299.374 2.454 10 0 CEAEHM CCOC(=O)c1cc2cccc(Cl)c2c(=O)[n-]1 ZINC000224828629 540161950 /nfs/dbraw/zinc/16/19/50/540161950.db2.gz PGWYPWXZYKIXLC-UHFFFAOYSA-N -1 3 251.669 2.358 10 0 CEAEHM CN1C[C@H](C(=O)[O-])C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000000897016 283232113 /nfs/dbraw/zinc/23/21/13/283232113.db2.gz ZAGRKAFMISFKIO-QMTHXVAHSA-N -1 3 268.316 2.122 10 0 in-vitro CEAEHM CCOC(=O)c1cc(OC)c([O-])cc1Br ZINC000260160110 371632455 /nfs/dbraw/zinc/63/24/55/371632455.db2.gz PPWHBRSUZOKFSO-UHFFFAOYSA-N -1 3 275.098 2.340 10 0 CEAEHM COC(=O)Cc1cc(Br)c([O-])cc1C ZINC000261097735 371636053 /nfs/dbraw/zinc/63/60/53/371636053.db2.gz XJRMEZRWQBHGLE-UHFFFAOYSA-N -1 3 259.099 2.179 10 0 CEAEHM CCOC(=O)c1c(Br)ccc(F)c1[O-] ZINC000261127934 371636294 /nfs/dbraw/zinc/63/62/94/371636294.db2.gz JJUIIJLKKXNFGR-UHFFFAOYSA-N -1 3 263.062 2.471 10 0 CEAEHM CC(C)c1nc(=NCC2(N)CCCCC2)s[n-]1 ZINC000383491214 375204085 /nfs/dbraw/zinc/20/40/85/375204085.db2.gz CJWWKYXSRFDMFK-UHFFFAOYSA-N -1 3 254.403 2.157 10 0 CEAEHM O=S(=O)([N-]C1CCCCCC1)c1cc(CO)cs1 ZINC000088884861 184613436 /nfs/dbraw/zinc/61/34/36/184613436.db2.gz JMGFBGSOHOAIQE-UHFFFAOYSA-N -1 3 289.422 2.242 10 0 CEAEHM C[C@H]1CCC[C@@](N)(C(=O)NC2(C(=O)[O-])CCCCCC2)C1 ZINC000080925936 177730871 /nfs/dbraw/zinc/73/08/71/177730871.db2.gz UXHXGHNTHHQEJQ-WFASDCNBSA-N -1 3 296.411 2.188 10 0 CEAEHM COC(=O)c1ccc(CN2CCC(CC(=O)[O-])CC2)cc1 ZINC000093681956 184705534 /nfs/dbraw/zinc/70/55/34/184705534.db2.gz HKKHFEDNWGYPMM-UHFFFAOYSA-N -1 3 291.347 2.160 10 0 CEAEHM Cc1ccc([C@H](C)N2CCN([C@H](C)C(=O)[O-])CC2)cc1F ZINC000094841827 184878737 /nfs/dbraw/zinc/87/87/37/184878737.db2.gz UDCFXYMHTXAVOG-QWHCGFSZSA-N -1 3 294.370 2.286 10 0 CEAEHM CCN(Cc1ccccn1)C(=O)c1ccc([O-])cc1 ZINC000094917106 184893332 /nfs/dbraw/zinc/89/33/32/184893332.db2.gz IPBZOQHKUYJORW-UHFFFAOYSA-N -1 3 256.305 2.450 10 0 CEAEHM C[C@@H]1CN(c2cc3c(cc2Cl)C(=O)C(=O)[N-]3)C[C@H](C)O1 ZINC000092772210 135077131 /nfs/dbraw/zinc/07/71/31/135077131.db2.gz GLGPQSAJYWKXJS-OCAPTIKFSA-N -1 3 294.738 2.088 10 0 CEAEHM C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(N)c(C(=O)[O-])c1 ZINC000094443765 135088603 /nfs/dbraw/zinc/08/86/03/135088603.db2.gz IXYMVRSDYMZRBT-WCQYABFASA-N -1 3 289.379 2.030 10 0 CEAEHM CC(C)C[C@@H](CN(C)C)NC(=O)c1c([O-])cccc1F ZINC000119851671 394772933 /nfs/dbraw/zinc/77/29/33/394772933.db2.gz SDIUEYAQKHLNTR-NSHDSACASA-N -1 3 282.359 2.237 10 0 CEAEHM CN(C)C[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000123490817 394828061 /nfs/dbraw/zinc/82/80/61/394828061.db2.gz DMNCRQZRCYYEEH-HNNXBMFYSA-N -1 3 284.359 2.425 10 0 CEAEHM COc1ccc(OC)c([N-]c2nc(CC(C)=O)ns2)c1 ZINC000005943861 170159967 /nfs/dbraw/zinc/15/99/67/170159967.db2.gz MPJNTUWASPONSR-UHFFFAOYSA-N -1 3 293.348 2.430 10 0 CEAEHM CCSc1[n-]nc(N)c1S(=O)(=O)c1ccc(C)cc1 ZINC000009640068 170383626 /nfs/dbraw/zinc/38/36/26/170383626.db2.gz TZDVFVPQKOXUGU-UHFFFAOYSA-N -1 3 297.405 2.245 10 0 CEAEHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1ccno1 ZINC000009704396 170384773 /nfs/dbraw/zinc/38/47/73/170384773.db2.gz ITSHVEQEBODLNG-UHFFFAOYSA-N -1 3 280.305 2.392 10 0 CEAEHM CS(=O)(=O)[N-]c1ccc(C(=O)c2ccsc2)cc1 ZINC000035369082 172160824 /nfs/dbraw/zinc/16/08/24/172160824.db2.gz MEMXJJNQDRWABY-UHFFFAOYSA-N -1 3 281.358 2.351 10 0 CEAEHM CN[C@H](C)c1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000035632760 172315317 /nfs/dbraw/zinc/31/53/17/172315317.db2.gz SBFAFADAQLKSMM-SECBINFHSA-N -1 3 297.405 2.224 10 0 CEAEHM C[C@](C(=O)[O-])(c1ccc(F)c(F)c1)N1CCCC1 ZINC000037359649 173149583 /nfs/dbraw/zinc/14/95/83/173149583.db2.gz RFFGDUXBPZKITA-CYBMUJFWSA-N -1 3 255.264 2.360 10 0 CEAEHM CCN(CCC(=O)[O-])CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000038024287 174007066 /nfs/dbraw/zinc/00/70/66/174007066.db2.gz WMVAFYRAFUNKII-ZDUSSCGKSA-N -1 3 292.379 2.003 10 0 CEAEHM NC1(C(=O)Nc2cc(F)ccc2C(=O)[O-])CCCCC1 ZINC000040473677 174281845 /nfs/dbraw/zinc/28/18/45/174281845.db2.gz NSDYANJHYPAUPW-UHFFFAOYSA-N -1 3 280.299 2.124 10 0 CEAEHM Cc1ccc(N(CC(=O)[O-])C(=O)C2(N)CCCCC2)cc1 ZINC000040483827 174286776 /nfs/dbraw/zinc/28/67/76/174286776.db2.gz VVEUYLRAMXEKPM-UHFFFAOYSA-N -1 3 290.363 2.074 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000040484891 174288497 /nfs/dbraw/zinc/28/84/97/174288497.db2.gz GXDDHCQBESVDTF-ZLDLUXBVSA-N -1 3 292.379 2.082 10 0 CEAEHM CN1CCC[C@H](NC(=O)CC2(CC(=O)[O-])CCCCC2)C1 ZINC000040673263 174371778 /nfs/dbraw/zinc/37/17/78/174371778.db2.gz ZAMOAICXTOWABV-ZDUSSCGKSA-N -1 3 296.411 2.012 10 0 CEAEHM O=C([O-])/C=C/c1ccc(CN2CCC[C@H](CO)C2)s1 ZINC000043684977 175093644 /nfs/dbraw/zinc/09/36/44/175093644.db2.gz IAGCZDQRVDJAOR-QRGHLMKCSA-N -1 3 281.377 2.050 10 0 CEAEHM C[C@H](NCc1ccc(C(C)(C)C)cc1)c1nn[n-]n1 ZINC000044887869 175271154 /nfs/dbraw/zinc/27/11/54/175271154.db2.gz ZFKQEIIXIVGKRF-JTQLQIEISA-N -1 3 259.357 2.348 10 0 CEAEHM CC(C)Oc1ccc([C@@H](C)N[C@@H](C)c2nn[n-]n2)cc1 ZINC000044888269 175271574 /nfs/dbraw/zinc/27/15/74/175271574.db2.gz QOOHWMWHGYJMFU-MNOVXSKESA-N -1 3 275.356 2.399 10 0 CEAEHM c1ccc(C[C@@H](NCc2nn[n-]n2)c2ccccc2)cc1 ZINC000044928075 175277706 /nfs/dbraw/zinc/27/77/06/175277706.db2.gz CEKYAXOIMQKPCS-OAHLLOKOSA-N -1 3 279.347 2.273 10 0 CEAEHM c1ccc(C[C@@H](NCc2nnn[n-]2)c2ccccc2)cc1 ZINC000044928075 175277707 /nfs/dbraw/zinc/27/77/07/175277707.db2.gz CEKYAXOIMQKPCS-OAHLLOKOSA-N -1 3 279.347 2.273 10 0 CEAEHM CCc1nc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C)c[nH]1 ZINC000070422479 175919925 /nfs/dbraw/zinc/91/99/25/175919925.db2.gz IECWLABIYHUBRE-MNOVXSKESA-N -1 3 285.413 2.077 10 0 CEAEHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnccc1Cl ZINC000071204795 176079010 /nfs/dbraw/zinc/07/90/10/176079010.db2.gz IKQDZQHTPWHTCB-PSASIEDQSA-N -1 3 274.773 2.202 10 0 CEAEHM Cc1cc(C)c(C(=O)[O-])c(N[C@H](C)[C@H]2CCCO2)n1 ZINC000038010231 301172606 /nfs/dbraw/zinc/17/26/06/301172606.db2.gz RQRXFCGTELBREP-GHMZBOCLSA-N -1 3 264.325 2.376 10 0 CEAEHM CCCC[C@@H](C)NS(=O)(=O)c1ccc([O-])cc1 ZINC000050890276 521009722 /nfs/dbraw/zinc/00/97/22/521009722.db2.gz UFZGPFBBMLFEJB-SNVBAGLBSA-N -1 3 257.355 2.249 10 0 CEAEHM CC(C)n1c(=O)[n-]nc1SCc1ccnc(Cl)c1 ZINC000061593898 519918141 /nfs/dbraw/zinc/91/81/41/519918141.db2.gz VDWVSNRDUYQPHI-UHFFFAOYSA-N -1 3 284.772 2.493 10 0 CEAEHM CC1(C)COCCN1[C@H](CC(=O)[O-])c1ccccc1 ZINC000062755070 520507503 /nfs/dbraw/zinc/50/75/03/520507503.db2.gz BJNZTDJJWUAARW-CYBMUJFWSA-N -1 3 263.337 2.313 10 0 CEAEHM CCC[C@H](C)NC(=O)[C@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925523 521054230 /nfs/dbraw/zinc/05/42/30/521054230.db2.gz BISBCDWPGNAAKY-MELADBBJSA-N -1 3 298.427 2.399 10 0 CEAEHM CCN(CCOc1ccc(CC(=O)[O-])cc1)[C@H](C)COC ZINC000062753635 521148789 /nfs/dbraw/zinc/14/87/89/521148789.db2.gz YMXSUNKPZQVULG-CYBMUJFWSA-N -1 3 295.379 2.049 10 0 CEAEHM CCN(Cc1cn2c(n1)nc(C)cc2C)[C@@H](C)CC(=O)[O-] ZINC000061182684 521429121 /nfs/dbraw/zinc/42/91/21/521429121.db2.gz YQDYHPAHEIBICR-NSHDSACASA-N -1 3 290.367 2.031 10 0 CEAEHM CC[C@@H](C)N1CCN(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000055069004 522136701 /nfs/dbraw/zinc/13/67/01/522136701.db2.gz ZMCUHJXGUYMQSO-SNVBAGLBSA-N -1 3 281.429 2.196 10 0 CEAEHM CC[C@@H](C)N1CCN(c2nc(C)ccc2C(=O)[O-])CC1 ZINC000055085534 522137789 /nfs/dbraw/zinc/13/77/89/522137789.db2.gz CUKLRDLFDQZRLF-GFCCVEGCSA-N -1 3 277.368 2.009 10 0 CEAEHM CC[C@@H](CC(=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000062750514 522484264 /nfs/dbraw/zinc/48/42/64/522484264.db2.gz IMYQXXURONUELR-ZDUSSCGKSA-N -1 3 262.353 2.062 10 0 CEAEHM CNc1cc(S(=O)(=O)[N-]c2ccccc2F)ccn1 ZINC000050640994 522575806 /nfs/dbraw/zinc/57/58/06/522575806.db2.gz XFNSNDLJUSEEEN-UHFFFAOYSA-N -1 3 281.312 2.063 10 0 CEAEHM CN(CCCOc1cccc(C(=O)[O-])c1)C[C@@H]1CCCO1 ZINC000062754477 522781641 /nfs/dbraw/zinc/78/16/41/522781641.db2.gz OZTAMVKPUJRPDJ-HNNXBMFYSA-N -1 3 293.363 2.265 10 0 CEAEHM CN(c1c(F)cc(C(=O)[O-])cc1F)C1CCN(C)CC1 ZINC000062721198 523632620 /nfs/dbraw/zinc/63/26/20/523632620.db2.gz DQDGIXDMMMEXIM-UHFFFAOYSA-N -1 3 284.306 2.193 10 0 CEAEHM CN1CCC(Nc2nc3c(cc2C(=O)[O-])CCCC3)CC1 ZINC000054527729 523778104 /nfs/dbraw/zinc/77/81/04/523778104.db2.gz OAODIUSTYFBZFL-UHFFFAOYSA-N -1 3 289.379 2.165 10 0 CEAEHM C[C@H](NCc1csc2ccccc12)c1nn[n-]n1 ZINC000054463652 525483638 /nfs/dbraw/zinc/48/36/38/525483638.db2.gz CMJDBACDBDTWFJ-QMMMGPOBSA-N -1 3 259.338 2.265 10 0 CEAEHM CSC[C@H](C)CNC(=O)c1cc(C)ccc1[O-] ZINC000069455986 525677705 /nfs/dbraw/zinc/67/77/05/525677705.db2.gz CHBITUSHFRGTTB-SNVBAGLBSA-N -1 3 253.367 2.430 10 0 CEAEHM OC[C@H]([N-]c1noc(-c2ccccc2)n1)c1ccco1 ZINC000157787705 527610552 /nfs/dbraw/zinc/61/05/52/527610552.db2.gz VJDFOURDPIZTPU-NSHDSACASA-N -1 3 271.276 2.475 10 0 CEAEHM COc1cc(O)c2c([O-])c3c(cc2c1)C[C@](C)(O)CC3=O ZINC000013480343 560217271 /nfs/dbraw/zinc/21/72/71/560217271.db2.gz BFMIUBHJKFRWIV-INIZCTEOSA-N -1 3 288.299 2.140 10 0 biogenic,in-vitro CEAEHM COc1cc([O-])c2c(c1)cc1c(c2O)C(=O)C[C@@](C)(O)C1 ZINC000013480343 560217273 /nfs/dbraw/zinc/21/72/73/560217273.db2.gz BFMIUBHJKFRWIV-INIZCTEOSA-N -1 3 288.299 2.140 10 0 biogenic,in-vitro CEAEHM CCN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2Cl)C1 ZINC000757194093 574512164 /nfs/dbraw/zinc/51/21/64/574512164.db2.gz YCJOSXJZXRBMIG-GHMZBOCLSA-N -1 3 253.729 2.460 10 0 CEAEHM COC(=O)c1cc([O-])c2c(c1)cc(OC)c(OC)c2OC ZINC000095937629 185034592 /nfs/dbraw/zinc/03/45/92/185034592.db2.gz CQWIIRUPANTLHK-UHFFFAOYSA-N -1 3 292.287 2.358 10 0 CEAEHM C[C@@H]1CC[C@H](NC(=O)c2c[n-]nn2)c2ccccc21 ZINC000124895087 365661267 /nfs/dbraw/zinc/66/12/67/365661267.db2.gz CNFUEJUYVPIUDP-SKDRFNHKSA-N -1 3 256.309 2.173 10 0 CEAEHM C[C@@H]1CC[C@H](NC(=O)c2cnn[n-]2)c2ccccc21 ZINC000124895087 365661273 /nfs/dbraw/zinc/66/12/73/365661273.db2.gz CNFUEJUYVPIUDP-SKDRFNHKSA-N -1 3 256.309 2.173 10 0 CEAEHM C[C@@H]1CC[C@H](NC(=O)c2cn[n-]n2)c2ccccc21 ZINC000124895087 365661278 /nfs/dbraw/zinc/66/12/78/365661278.db2.gz CNFUEJUYVPIUDP-SKDRFNHKSA-N -1 3 256.309 2.173 10 0 CEAEHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000010493702 343364421 /nfs/dbraw/zinc/36/44/21/343364421.db2.gz DMSACYLIKFWBND-MRVPVSSYSA-N -1 3 263.309 2.288 10 0 CEAEHM O=Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000035905067 343422509 /nfs/dbraw/zinc/42/25/09/343422509.db2.gz HQBRKMUDLIZVAS-UHFFFAOYSA-N -1 3 250.261 2.346 10 0 CEAEHM O=Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000035905067 343422511 /nfs/dbraw/zinc/42/25/11/343422511.db2.gz HQBRKMUDLIZVAS-UHFFFAOYSA-N -1 3 250.261 2.346 10 0 CEAEHM CN(C)Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000085411514 179056909 /nfs/dbraw/zinc/05/69/09/179056909.db2.gz HMJATDAWCJUHQF-CHWSQXEVSA-N -1 3 290.363 2.044 10 0 CEAEHM CC(C)c1cnc(SCC(=O)[O-])n1[C@H]1CCCN(C)C1 ZINC000085668878 179110969 /nfs/dbraw/zinc/11/09/69/179110969.db2.gz BVSXNFDYBGEVDO-NSHDSACASA-N -1 3 297.424 2.450 10 0 CEAEHM N[C@H](CC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000085813874 179178818 /nfs/dbraw/zinc/17/88/18/179178818.db2.gz NQLUPGUBMUIGCP-CQSZACIVSA-N -1 3 284.315 2.094 10 0 CEAEHM CC(C)(C)[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccccc1 ZINC000085819448 179181837 /nfs/dbraw/zinc/18/18/37/179181837.db2.gz AWVGLWYWZLGLSP-JSGCOSHPSA-N -1 3 292.379 2.082 10 0 CEAEHM CC(C)(C)c1ccc(NC(=O)[C@H](N)CCC(=O)[O-])cc1 ZINC000085818423 179180999 /nfs/dbraw/zinc/18/09/99/179180999.db2.gz DTWSBNGICLMLGA-GFCCVEGCSA-N -1 3 278.352 2.115 10 0 CEAEHM C[C@@H]1[C@@H](C)CC[C@@H]1NS(=O)(=O)c1ccc([O-])cc1 ZINC000086079795 179226528 /nfs/dbraw/zinc/22/65/28/179226528.db2.gz FQRAZYUNVFJYDF-CWSCBRNRSA-N -1 3 269.366 2.105 10 0 CEAEHM CCN(Cc1ccc(OC)cc1OC)[C@H](C)CC(=O)[O-] ZINC000086763368 179325770 /nfs/dbraw/zinc/32/57/70/179325770.db2.gz OTIVCFWFKZQMML-LLVKDONJSA-N -1 3 281.352 2.389 10 0 CEAEHM CC(C)[C@@H](c1ccccc1)N1CCO[C@H](C(=O)[O-])C1 ZINC000086804807 179338113 /nfs/dbraw/zinc/33/81/13/179338113.db2.gz CHYDRUKLHCSDCF-KBPBESRZSA-N -1 3 263.337 2.169 10 0 CEAEHM CSc1ccc([C@H](C)N2CC(C(=O)[O-])C2)cc1 ZINC000086810884 179340040 /nfs/dbraw/zinc/34/00/40/179340040.db2.gz VPWYYVBWDWMLJF-VIFPVBQESA-N -1 3 251.351 2.486 10 0 CEAEHM CN(/C=C\C(=O)[O-])Cc1ccc(Br)cc1 ZINC000086898303 179366926 /nfs/dbraw/zinc/36/69/26/179366926.db2.gz NEYBLXHNYNJIAZ-SREVYHEPSA-N -1 3 270.126 2.479 10 0 CEAEHM CC[C@@H]1CCC[C@@H](N2CCN(CC(=O)[O-])CC2)CC1 ZINC000086921422 179367919 /nfs/dbraw/zinc/36/79/19/179367919.db2.gz XMGYWHALXBAPQM-ZIAGYGMSSA-N -1 3 268.401 2.048 10 0 CEAEHM CC1(C)CCC(O)(CNCc2ccc(C(=O)[O-])o2)CC1 ZINC000087048225 179387973 /nfs/dbraw/zinc/38/79/73/179387973.db2.gz MGDCFTSTTXJHPA-UHFFFAOYSA-N -1 3 281.352 2.399 10 0 CEAEHM Cc1nc(CSC2CCCCC2)[n-]c(=O)c1CCO ZINC000087147947 179397333 /nfs/dbraw/zinc/39/73/33/179397333.db2.gz PCZMYRSGNCBSGQ-UHFFFAOYSA-N -1 3 282.409 2.179 10 0 CEAEHM Nc1cc(=O)[n-]c(CSc2cccc(Cl)c2)n1 ZINC000090238336 179938249 /nfs/dbraw/zinc/93/82/49/179938249.db2.gz QCTBKLJRMVTONT-UHFFFAOYSA-N -1 3 267.741 2.298 10 0 CEAEHM Cc1cccc(O)c1[N-]S(=O)(=O)CCC(C)C ZINC000104435768 186001599 /nfs/dbraw/zinc/00/15/99/186001599.db2.gz YCALABHTWRKHJQ-UHFFFAOYSA-N -1 3 257.355 2.488 10 0 CEAEHM Cn1ccc(CNc2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000091008164 180085182 /nfs/dbraw/zinc/08/51/82/180085182.db2.gz YVFFKRVIALNMGQ-UHFFFAOYSA-N -1 3 297.355 2.148 10 0 CEAEHM COC[C@@H](C)N(C)Cc1ccccc1/C=C\C(=O)[O-] ZINC000105220726 186047099 /nfs/dbraw/zinc/04/70/99/186047099.db2.gz PYROGHJOOXHUHT-JLVNDZCYSA-N -1 3 263.337 2.251 10 0 CEAEHM Cc1ccc([O-])c(CNc2ccc(-n3ccnc3)nc2)n1 ZINC000091993971 180301312 /nfs/dbraw/zinc/30/13/12/180301312.db2.gz WIEYBINOEKPKDA-UHFFFAOYSA-N -1 3 281.319 2.288 10 0 CEAEHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1nccs1 ZINC000106000594 186097099 /nfs/dbraw/zinc/09/70/99/186097099.db2.gz NRBDOXMOVODODH-ZETCQYMHSA-N -1 3 264.306 2.045 10 0 CEAEHM Cc1ccc(Cc2nc([O-])c(C(C)C)c(=O)[nH]2)cc1 ZINC000110620204 186304806 /nfs/dbraw/zinc/30/48/06/186304806.db2.gz ZVQLXTSDPIJYQW-UHFFFAOYSA-N -1 3 258.321 2.498 10 0 CEAEHM CCC[C@](C)(N)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000110988230 186339405 /nfs/dbraw/zinc/33/94/05/186339405.db2.gz AUNKQMPRHXOVTK-AWEZNQCLSA-N -1 3 264.325 2.149 10 0 CEAEHM O=C([O-])c1cc(F)ccc1NCCN1CCCC1 ZINC000111028704 186346250 /nfs/dbraw/zinc/34/62/50/186346250.db2.gz XGUGPSJGXCGLBA-UHFFFAOYSA-N -1 3 252.289 2.032 10 0 CEAEHM CCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278502 186387352 /nfs/dbraw/zinc/38/73/52/186387352.db2.gz FADYXUOENCRTKR-SECBINFHSA-N -1 3 284.743 2.494 10 0 CEAEHM COc1ccc(-c2cc(=O)[n-]c(=S)[nH]2)cc1OC ZINC000072417216 363133099 /nfs/dbraw/zinc/13/30/99/363133099.db2.gz ZWOBUZONJIWFOT-UHFFFAOYSA-N -1 3 264.306 2.117 10 0 CEAEHM [O-]c1ccc(O)c(OC(F)F)c1Br ZINC000575680824 366327019 /nfs/dbraw/zinc/32/70/19/366327019.db2.gz PQJCSZQYYDLWJS-UHFFFAOYSA-N -1 3 255.014 2.462 10 0 CEAEHM [O-]c1c(OC(F)F)cc(CO)cc1OC(F)(F)F ZINC000575661510 366321536 /nfs/dbraw/zinc/32/15/36/366321536.db2.gz HOMXCCHIJGFBRM-UHFFFAOYSA-N -1 3 274.141 2.385 10 0 CEAEHM O=C([N-][C@@H]1CCCn2ncnc21)C(F)(F)c1ccccc1 ZINC000177566175 189057440 /nfs/dbraw/zinc/05/74/40/189057440.db2.gz PBHFBWKIYIHSEI-LLVKDONJSA-N -1 3 292.289 2.021 10 0 CEAEHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000172968998 367849403 /nfs/dbraw/zinc/84/94/03/367849403.db2.gz XMKHZLRFAFIRPL-SSDOTTSWSA-N -1 3 281.299 2.427 10 0 CEAEHM CC(C)(C)[C@@H](O)CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000380493186 375164473 /nfs/dbraw/zinc/16/44/73/375164473.db2.gz YMEJZRZYZLOOQZ-AWEZNQCLSA-N -1 3 277.364 2.150 10 0 CEAEHM CCN(CC(C)(C)O)c1cc2c(cc1Cl)C(=O)C(=O)[N-]2 ZINC000092968229 184638868 /nfs/dbraw/zinc/63/88/68/184638868.db2.gz DLOHYQSYADBTNP-UHFFFAOYSA-N -1 3 296.754 2.072 10 0 CEAEHM C[C@H](NC(=O)c1c[n-]nn1)c1ccc2ccccc2c1 ZINC000193705593 395413674 /nfs/dbraw/zinc/41/36/74/395413674.db2.gz DFGIUGTWGAJHLT-JTQLQIEISA-N -1 3 266.304 2.449 10 0 CEAEHM C[C@H](NC(=O)c1cnn[n-]1)c1ccc2ccccc2c1 ZINC000193705593 395413677 /nfs/dbraw/zinc/41/36/77/395413677.db2.gz DFGIUGTWGAJHLT-JTQLQIEISA-N -1 3 266.304 2.449 10 0 CEAEHM C[C@H](NC(=O)c1cn[n-]n1)c1ccc2ccccc2c1 ZINC000193705593 395413680 /nfs/dbraw/zinc/41/36/80/395413680.db2.gz DFGIUGTWGAJHLT-JTQLQIEISA-N -1 3 266.304 2.449 10 0 CEAEHM COC(=O)C[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000178278566 165230643 /nfs/dbraw/zinc/23/06/43/165230643.db2.gz UCIWKTULRHRSHO-HNNXBMFYSA-N -1 3 299.326 2.426 10 0 CEAEHM COc1cc([O-])c2c(c1)O[C@@](O)(c1ccccc1)CC2=O ZINC000005998929 170166812 /nfs/dbraw/zinc/16/68/12/170166812.db2.gz RBTSKEDOUJLPHO-MRXNPFEDSA-N -1 3 286.283 2.211 10 0 CEAEHM NCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000022221413 171378460 /nfs/dbraw/zinc/37/84/60/171378460.db2.gz ASHHQKMJVNSTRX-UHFFFAOYSA-N -1 3 280.324 2.085 10 0 CEAEHM Cc1oc(CN2CCCC[C@@H]2CCO)cc1C(=O)[O-] ZINC000035432213 172200515 /nfs/dbraw/zinc/20/05/15/172200515.db2.gz SBLYUXXEVSLFKA-LLVKDONJSA-N -1 3 267.325 2.023 10 0 CEAEHM CN(C)[C@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000037358486 173148698 /nfs/dbraw/zinc/14/86/98/173148698.db2.gz VPLJGLKSPKBWDR-VIFPVBQESA-N -1 3 276.105 2.276 10 0 CEAEHM COc1ccc([C@@H](C(=O)[O-])N2CCCCC2)cc1O ZINC000037362022 173151377 /nfs/dbraw/zinc/15/13/77/173151377.db2.gz MUFBXMWMXRCOEM-ZDUSSCGKSA-N -1 3 265.309 2.012 10 0 CEAEHM CC[C@H](C)[C@H](N)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000040471580 174279978 /nfs/dbraw/zinc/27/99/78/174279978.db2.gz JULKVSDRLQGWQN-CPCISQLKSA-N -1 3 284.743 2.350 10 0 CEAEHM CCC[C@@H](N)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000040479373 174283681 /nfs/dbraw/zinc/28/36/81/174283681.db2.gz YSMAIXNCMDZRQY-SECBINFHSA-N -1 3 270.716 2.104 10 0 CEAEHM CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000040480116 174284178 /nfs/dbraw/zinc/28/41/78/174284178.db2.gz HUXRORMLMVONET-CABZTGNLSA-N -1 3 264.325 2.005 10 0 CEAEHM NC1(C(=O)N(CCC(=O)[O-])c2ccccc2)CCCCC1 ZINC000040483891 174287693 /nfs/dbraw/zinc/28/76/93/174287693.db2.gz WCGVPPIVHSUINO-UHFFFAOYSA-N -1 3 290.363 2.156 10 0 CEAEHM CC(C)C[C@H](N)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484585 174287990 /nfs/dbraw/zinc/28/79/90/174287990.db2.gz KLOFOUJLFXGDPU-LBPRGKRZSA-N -1 3 298.770 2.131 10 0 CEAEHM CCC[C@](C)(N)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000040484994 174288440 /nfs/dbraw/zinc/28/84/40/174288440.db2.gz HLVTZQVKWFKLPS-BBRMVZONSA-N -1 3 292.379 2.226 10 0 CEAEHM O=C(CC1(C(=O)[O-])CCCC1)NCCN1CCCCCC1 ZINC000040767988 174398414 /nfs/dbraw/zinc/39/84/14/174398414.db2.gz IDBKDERCINRNPC-UHFFFAOYSA-N -1 3 296.411 2.014 10 0 CEAEHM COc1cc(NC(=O)c2cccc(OC)c2[O-])ccc1N ZINC000040769640 174398961 /nfs/dbraw/zinc/39/89/61/174398961.db2.gz SGKPSIMHZQLLQG-UHFFFAOYSA-N -1 3 288.303 2.244 10 0 CEAEHM Cc1cc(=O)[n-]c(S[C@@H](c2cccnc2)[C@H](C)N)n1 ZINC000043352025 175019604 /nfs/dbraw/zinc/01/96/04/175019604.db2.gz UWJCTNZSQGUTQR-JOYOIKCWSA-N -1 3 276.365 2.066 10 0 CEAEHM CCc1n[n-]c(=S)n1C[C@H]1CCN(C(C)C)C1 ZINC000045135885 175313486 /nfs/dbraw/zinc/31/34/86/175313486.db2.gz NSNRZXXVYXNIJC-JTQLQIEISA-N -1 3 254.403 2.233 10 0 CEAEHM Cc1cccn2cc(CN[C@H]3CCC[C@@H](C(=O)[O-])C3)nc12 ZINC000070570715 175986398 /nfs/dbraw/zinc/98/63/98/175986398.db2.gz CXYPDGXKFUBLHD-OLZOCXBDSA-N -1 3 287.363 2.376 10 0 CEAEHM NC(=S)c1cnc([N-]c2nc(C3CC3)cs2)cn1 ZINC000071181012 176056838 /nfs/dbraw/zinc/05/68/38/176056838.db2.gz GALPHOKGQHNKFE-UHFFFAOYSA-N -1 3 277.378 2.188 10 0 CEAEHM Cn1nccc1CNc1c(C(=O)[O-])cnc2ccccc21 ZINC000071335664 176127056 /nfs/dbraw/zinc/12/70/56/176127056.db2.gz AQLINMVIAPKTPO-UHFFFAOYSA-N -1 3 282.303 2.279 10 0 CEAEHM COC(=O)[C@]([O-])(C=C(O)c1cccc(C)c1)C(F)(F)F ZINC000536959882 419416871 /nfs/dbraw/zinc/41/68/71/419416871.db2.gz MJQVYDZYFFJHNM-GFCCVEGCSA-N -1 3 290.237 2.034 10 0 CEAEHM C[C@H]1CCCCN1c1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000022450776 278334383 /nfs/dbraw/zinc/33/43/83/278334383.db2.gz IDKJDNUYAVEKGH-ZETCQYMHSA-N -1 3 261.247 2.168 10 0 CEAEHM Cc1ccc(-n2cc3c(n2)c(=O)[n-]nc3C)cc1C ZINC000020272378 278776228 /nfs/dbraw/zinc/77/62/28/278776228.db2.gz ZSNWGTNMTPGXNU-UHFFFAOYSA-N -1 3 254.293 2.446 10 0 CEAEHM Cc1n[n-]c(=O)c2nn(-c3cccc(Cl)c3)cc21 ZINC000020272371 279230512 /nfs/dbraw/zinc/23/05/12/279230512.db2.gz YTCOSPQATDUUHY-UHFFFAOYSA-N -1 3 260.684 2.483 10 0 CEAEHM CCCCOCCOc1ccc2c([O-])coc2c1 ZINC000062805269 520793640 /nfs/dbraw/zinc/79/36/40/520793640.db2.gz FWHOLDQIIQBCRD-UHFFFAOYSA-N -1 3 250.294 2.457 10 0 CEAEHM CCN(CC(=O)N(CC)c1ccccc1)C[C@H](C)C(=O)[O-] ZINC000061220724 520307104 /nfs/dbraw/zinc/30/71/04/520307104.db2.gz OZMBWHHUWMOJFM-ZDUSSCGKSA-N -1 3 292.379 2.082 10 0 CEAEHM CCOC(=O)C(F)(F)C([O-])=Cc1ccccc1F ZINC000052232505 520428798 /nfs/dbraw/zinc/42/87/98/520428798.db2.gz LKFMIAIILNTMNK-UHFFFAOYSA-N -1 3 260.211 2.136 10 0 CEAEHM CCN(Cc1cn2cccc(C)c2n1)[C@@H](C)CC(=O)[O-] ZINC000061182984 521429820 /nfs/dbraw/zinc/42/98/20/521429820.db2.gz RPLNXWZHSOMQPO-LBPRGKRZSA-N -1 3 275.352 2.328 10 0 CEAEHM CCN(Cc1cn2ccccc2n1)C(C)(C)C(=O)[O-] ZINC000061176807 521430271 /nfs/dbraw/zinc/43/02/71/521430271.db2.gz TWLPPDYUOLWFPI-UHFFFAOYSA-N -1 3 261.325 2.019 10 0 CEAEHM CN(C)CCc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000062492862 521817202 /nfs/dbraw/zinc/81/72/02/521817202.db2.gz DJGBZVSDTLZDKF-UHFFFAOYSA-N -1 3 256.371 2.243 10 0 CEAEHM CC[C@@H](C)N1CCN(C[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000062756693 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CC(C)(C)OC(=O)[C@H](c1ccccc1Cl)[C@H](N)C(=O)[O-] ZINC000095932165 364393270 /nfs/dbraw/zinc/39/32/70/364393270.db2.gz BHLAFJUVOAIWLO-MNOVXSKESA-N -1 3 299.754 2.177 10 0 CEAEHM CC(C)C[C@H](CN(C)C)[N-]S(=O)(=O)c1cccs1 ZINC000189140966 369464919 /nfs/dbraw/zinc/46/49/19/369464919.db2.gz HCXXKARQSYUQHG-LLVKDONJSA-N -1 3 290.454 2.003 10 0 CEAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000192571278 369829386 /nfs/dbraw/zinc/82/93/86/369829386.db2.gz ZJAWLNCUXTZXNG-WCQYABFASA-N -1 3 287.367 2.122 10 0 CEAEHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2ncc(C)o2)c1 ZINC000226615485 370348732 /nfs/dbraw/zinc/34/87/32/370348732.db2.gz JTTFYKMOHYFXJM-VIFPVBQESA-N -1 3 276.292 2.188 10 0 CEAEHM O=C(c1cc([O-])ccc1F)N1CCO[C@@H]2CCCC[C@H]21 ZINC000294430478 296184997 /nfs/dbraw/zinc/18/49/97/296184997.db2.gz KZYBOEMBHALTSJ-ZIAGYGMSSA-N -1 3 279.311 2.315 10 0 CEAEHM O=S(=O)(c1ccc([O-])cc1)N1CCC[C@@H](C2CC2)C1 ZINC000333402823 205291258 /nfs/dbraw/zinc/29/12/58/205291258.db2.gz 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/nfs/dbraw/zinc/10/04/56/173100456.db2.gz SOZNKIDELZCGIS-WDMOLILDSA-N -1 3 283.393 2.495 10 0 CEAEHM CCN(CCOc1ccccc1C(C)=O)CCC(=O)[O-] ZINC000038024413 174007181 /nfs/dbraw/zinc/00/71/81/174007181.db2.gz YTPLDXRXKKQVJY-UHFFFAOYSA-N -1 3 279.336 2.065 10 0 CEAEHM O=C(NCCc1ccc(O)cc1)c1ccc([O-])cc1 ZINC000038031737 174027167 /nfs/dbraw/zinc/02/71/67/174027167.db2.gz GZLCCOBLLZQSIZ-UHFFFAOYSA-N -1 3 257.289 2.070 10 0 CEAEHM COc1ccc(N)cc1CNC(=O)c1cccc(C)c1[O-] ZINC000038033376 174030756 /nfs/dbraw/zinc/03/07/56/174030756.db2.gz WRYCHCLZYLOLPU-UHFFFAOYSA-N -1 3 286.331 2.221 10 0 CEAEHM O=c1cc(Cc2cccc(Br)c2)[n-][nH]1 ZINC000038534312 174144073 /nfs/dbraw/zinc/14/40/73/174144073.db2.gz QGSCJLXCMJOIQO-UHFFFAOYSA-N -1 3 253.099 2.469 10 0 CEAEHM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](N)C(C)(C)C ZINC000040463773 174272504 /nfs/dbraw/zinc/27/25/04/174272504.db2.gz PXSYBIQPFGHJSK-LLVKDONJSA-N -1 3 264.325 2.005 10 0 CEAEHM CCC[C@@](C)(N)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000040480208 174284896 /nfs/dbraw/zinc/28/48/96/174284896.db2.gz AGJVAJPSODBCQA-CQSZACIVSA-N -1 3 264.325 2.149 10 0 CEAEHM CCCC[C@@H](N)C(=O)N(CCC(=O)[O-])c1ccc(C)cc1 ZINC000040483792 174286792 /nfs/dbraw/zinc/28/67/92/174286792.db2.gz FBQPFTBRGSUUIY-CQSZACIVSA-N -1 3 292.379 2.320 10 0 CEAEHM O=C([O-])/C=C/c1cc(F)ccc1OCCN1CCCC1 ZINC000040541816 174322756 /nfs/dbraw/zinc/32/27/56/174322756.db2.gz SWVPILWNYMGKQW-ZZXKWVIFSA-N -1 3 279.311 2.398 10 0 CEAEHM Cc1ccc(Cl)cc1Nc1nc[n-]c(=O)c1N ZINC000040705024 174379864 /nfs/dbraw/zinc/37/98/64/174379864.db2.gz JUHXUZIKTFQWBJ-UHFFFAOYSA-N -1 3 250.689 2.058 10 0 CEAEHM COCCN(c1ccc2c(c1)[N-]C(=O)C2=O)[C@@H](C)C1CC1 ZINC000042680063 174834476 /nfs/dbraw/zinc/83/44/76/174834476.db2.gz XLISKBZBVJJDJS-JTQLQIEISA-N -1 3 288.347 2.073 10 0 CEAEHM COc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(N)c2)c1 ZINC000043327729 175009179 /nfs/dbraw/zinc/00/91/79/175009179.db2.gz VUWBKKOVXVJBAS-SNVBAGLBSA-N -1 3 286.331 2.474 10 0 CEAEHM Cc1cc(=O)[n-]c(S[C@H](c2cccnc2)[C@@H](C)N)n1 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CCCN1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000071264651 176098180 /nfs/dbraw/zinc/09/81/80/176098180.db2.gz VJDZPYRLXDSJMO-UHFFFAOYSA-N -1 3 280.343 2.052 10 0 CEAEHM Cc1nc(C)c([C@H](C)Nc2cnccc2C)c(=O)[n-]1 ZINC000071413863 176159028 /nfs/dbraw/zinc/15/90/28/176159028.db2.gz YJESZUVQOCOQLP-JTQLQIEISA-N -1 3 258.325 2.263 10 0 CEAEHM C[C@H]1Oc2ccc(-c3cn4cccc([O-])c4n3)cc2NC1=O ZINC000071572039 176198147 /nfs/dbraw/zinc/19/81/47/176198147.db2.gz ABBOGOYRFQOWBF-SECBINFHSA-N -1 3 295.298 2.426 10 0 CEAEHM CCC(CC)(CC(=O)NC[C@@H](C)N1CCCCC1)C(=O)[O-] ZINC000038028135 282046612 /nfs/dbraw/zinc/04/66/12/282046612.db2.gz SKYWCQMCMFGJCZ-CYBMUJFWSA-N -1 3 298.427 2.258 10 0 CEAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H]2c2cnn(C)c2)n1 ZINC000192571267 301372352 /nfs/dbraw/zinc/37/23/52/301372352.db2.gz ZJAWLNCUXTZXNG-DGCLKSJQSA-N -1 3 287.367 2.122 10 0 CEAEHM CC(C)C1CCN(Cc2oncc2C(=O)[O-])CC1 ZINC000385080508 321857806 /nfs/dbraw/zinc/85/78/06/321857806.db2.gz WPCSEEZGHSWOKG-UHFFFAOYSA-N -1 3 252.314 2.241 10 0 CEAEHM CCOC(=O)[C@]([O-])(c1ccc(F)cc1)C(F)(F)F ZINC000034429536 329545825 /nfs/dbraw/zinc/54/58/25/329545825.db2.gz MASBOSORSRWAOS-SNVBAGLBSA-N -1 3 266.190 2.139 10 0 CEAEHM CCO[C@H](CCN(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000062756361 520503420 /nfs/dbraw/zinc/50/34/20/520503420.db2.gz LXKZYYYAGGTDET-CYBMUJFWSA-N -1 3 269.316 2.137 10 0 CEAEHM CCCc1nc(N2CCC[C@H]2CN(C)C)sc1C(=O)[O-] ZINC000061655568 521532424 /nfs/dbraw/zinc/53/24/24/521532424.db2.gz LOLNBOZWOXHPAQ-JTQLQIEISA-N -1 3 297.424 2.324 10 0 CEAEHM CCNC(C)(C)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000061298008 519903855 /nfs/dbraw/zinc/90/38/55/519903855.db2.gz QNRXJXVFWLZBSB-UHFFFAOYSA-N -1 3 292.379 2.191 10 0 CEAEHM CCN(CC(=O)N(C)C1CCC(C)CC1)C[C@H](C)C(=O)[O-] ZINC000061218719 520302904 /nfs/dbraw/zinc/30/29/04/520302904.db2.gz XPZKAOMQZDKABR-MOKVOYLWSA-N -1 3 298.427 2.066 10 0 CEAEHM CCC(CC)(c1ccccc1)c1nc(N)cc(=O)[n-]1 ZINC000062783281 521479900 /nfs/dbraw/zinc/47/99/00/521479900.db2.gz QYTYWXSGSBXNBY-UHFFFAOYSA-N -1 3 257.337 2.458 10 0 CEAEHM CN(C)CCOc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000054553577 521798382 /nfs/dbraw/zinc/79/83/82/521798382.db2.gz UTYUBFGGQIRLRG-UHFFFAOYSA-N -1 3 277.242 2.344 10 0 CEAEHM Cc1cc(CC[N-]S(=O)(=O)c2cccs2)c(C)n1C ZINC000062576532 524645057 /nfs/dbraw/zinc/64/50/57/524645057.db2.gz PZLIQLAWEIKHAD-UHFFFAOYSA-N -1 3 298.433 2.224 10 0 CEAEHM Cc1c(N)cccc1Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000062724294 525821063 /nfs/dbraw/zinc/82/10/63/525821063.db2.gz IKFDUDDXFZCKFY-UHFFFAOYSA-N -1 3 267.288 2.204 10 0 CEAEHM O=C([O-])[C@H]1CCS[C@H](CCc2ccccc2)N1 ZINC000061624425 526328260 /nfs/dbraw/zinc/32/82/60/526328260.db2.gz VICSKIPERVRYQT-VXGBXAGGSA-N -1 3 251.351 2.125 10 0 CEAEHM O=S(=O)(c1ccc([O-])cc1)N1Cc2ccccc2C1 ZINC000050912744 527278028 /nfs/dbraw/zinc/27/80/28/527278028.db2.gz FVPDAEQAZUMCMO-UHFFFAOYSA-N -1 3 275.329 2.097 10 0 CEAEHM O=c1[n-][nH]c(=S)n1[C@H]1CCCc2sccc21 ZINC000061591121 527434934 /nfs/dbraw/zinc/43/49/34/527434934.db2.gz RUHZUWFNMJKBBO-ZETCQYMHSA-N -1 3 253.352 2.221 10 0 CEAEHM CN(C)c1nc(N)c(-c2ccccc2Cl)c(=O)[n-]1 ZINC000757178833 574511393 /nfs/dbraw/zinc/51/13/93/574511393.db2.gz UBOIWCHYJCZVMI-UHFFFAOYSA-N -1 3 264.716 2.151 10 0 CEAEHM CC(C)N(C)[C@H]1CCCCn2nc(C(=O)[O-])cc21 ZINC000725272370 567925119 /nfs/dbraw/zinc/92/51/19/567925119.db2.gz CBUPRDWMKMYUBJ-NSHDSACASA-N -1 3 251.330 2.147 10 0 CEAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255693172 623575543 /nfs/dbraw/zinc/57/55/43/623575543.db2.gz RFMRDLLXJPFBJN-HJWRWDBZSA-N -1 3 277.349 2.439 10 0 CEAEHM CCC[C@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000262295276 630666855 /nfs/dbraw/zinc/66/68/55/630666855.db2.gz ORISYHPYIBGCHP-AAEUAGOBSA-N -1 3 288.351 2.171 10 0 CEAEHM COc1ccc([C@H](CCC(=O)[O-])N(C)C)cc1F ZINC000082295859 177950190 /nfs/dbraw/zinc/95/01/90/177950190.db2.gz VNEUHNWZFXWICM-NSHDSACASA-N -1 3 255.289 2.302 10 0 CEAEHM Cc1c(N)nc(-c2cccc(Br)c2)[n-]c1=O ZINC000082450727 178029376 /nfs/dbraw/zinc/02/93/76/178029376.db2.gz OTUGATYSGSVYNK-UHFFFAOYSA-N -1 3 280.125 2.090 10 0 CEAEHM CC(C)(C)OC(=O)NCCc1cc([O-])cc(C=O)c1 ZINC000095764904 185027488 /nfs/dbraw/zinc/02/74/88/185027488.db2.gz WCTUOVJCPZAHSD-UHFFFAOYSA-N -1 3 265.309 2.272 10 0 CEAEHM CCOC(=O)c1[n-]c(=O)c2ccccc2c1Cl ZINC000095931268 185032875 /nfs/dbraw/zinc/03/28/75/185032875.db2.gz ILGGGZRHBCGVMD-UHFFFAOYSA-N -1 3 251.669 2.358 10 0 CEAEHM C[C@@H](c1[n-]nnc1C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000725266320 539213749 /nfs/dbraw/zinc/21/37/49/539213749.db2.gz HBTMPMFSPZNSJK-RKDXNWHRSA-N -1 3 267.329 2.043 10 0 CEAEHM C[C@@H](c1nn[n-]c1C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000725266320 539213750 /nfs/dbraw/zinc/21/37/50/539213750.db2.gz HBTMPMFSPZNSJK-RKDXNWHRSA-N -1 3 267.329 2.043 10 0 CEAEHM C[C@@H](c1n[n-]nc1C(=O)OC(C)(C)C)[C@H]1CCCO1 ZINC000725266320 539213751 /nfs/dbraw/zinc/21/37/51/539213751.db2.gz HBTMPMFSPZNSJK-RKDXNWHRSA-N -1 3 267.329 2.043 10 0 CEAEHM COC(=N)c1cc(Br)c([O-])c(OC)c1 ZINC000037928092 343432449 /nfs/dbraw/zinc/43/24/49/343432449.db2.gz JDGIUQAFLDORIL-UHFFFAOYSA-N -1 3 260.087 2.135 10 0 CEAEHM c1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000095249911 344236730 /nfs/dbraw/zinc/23/67/30/344236730.db2.gz WHCDRVWBULIVFF-UHFFFAOYSA-N -1 3 252.277 2.446 10 0 CEAEHM c1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000095249911 344236732 /nfs/dbraw/zinc/23/67/32/344236732.db2.gz WHCDRVWBULIVFF-UHFFFAOYSA-N -1 3 252.277 2.446 10 0 CEAEHM O=c1c(Cl)c[n-]c2c(Br)cncc12 ZINC000230094925 344569977 /nfs/dbraw/zinc/56/99/77/344569977.db2.gz VEZGQSYGBUBQEM-UHFFFAOYSA-N -1 3 259.490 2.339 10 0 CEAEHM CCc1nc(N(C)C)[n-]c(=S)c1Br ZINC000234140300 344583711 /nfs/dbraw/zinc/58/37/11/344583711.db2.gz KXDPJAINPMANDG-UHFFFAOYSA-N -1 3 262.176 2.156 10 0 CEAEHM [O-]c1cnc(Br)c(OC(F)(F)F)c1 ZINC000238729052 344608515 /nfs/dbraw/zinc/60/85/15/344608515.db2.gz QZDMRIDNSKKOKD-UHFFFAOYSA-N -1 3 257.993 2.448 10 0 CEAEHM CC[C@H](CSC)N(C)Cc1ncccc1C(=O)[O-] ZINC000385415553 344830362 /nfs/dbraw/zinc/83/03/62/344830362.db2.gz UYSZWGMBTZABFB-SNVBAGLBSA-N -1 3 268.382 2.353 10 0 CEAEHM N[C@H](CCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC000085818377 179180948 /nfs/dbraw/zinc/18/09/48/179180948.db2.gz XHEHRNAZMNPZSJ-MRVPVSSYSA-N -1 3 291.134 2.124 10 0 CEAEHM C[C@H](C(=O)Nc1ncccc1[O-])[C@@H](N)c1ccccc1 ZINC000128604810 187379965 /nfs/dbraw/zinc/37/99/65/187379965.db2.gz UTRDLOIFSRMIAT-GXFFZTMASA-N -1 3 271.320 2.062 10 0 CEAEHM C[C@@H](Nc1ccc2c(c1)C(=O)[N-]C2=O)c1nccs1 ZINC000086507873 179304186 /nfs/dbraw/zinc/30/41/86/179304186.db2.gz SCLLGEQWIDPKDA-SSDOTTSWSA-N -1 3 273.317 2.200 10 0 CEAEHM C[C@@H](c1cccc(O)c1)N1CCC(OCC(=O)[O-])CC1 ZINC000086773459 179326492 /nfs/dbraw/zinc/32/64/92/179326492.db2.gz LHTHVEMKXSRZMT-NSHDSACASA-N -1 3 279.336 2.019 10 0 CEAEHM C[C@@H](N[C@H](C(=O)[O-])C1CC1)c1cc(F)ccc1F ZINC000086757680 179323640 /nfs/dbraw/zinc/32/36/40/179323640.db2.gz CYJVYYKKZBBFFV-KRTXAFLBSA-N -1 3 255.264 2.479 10 0 CEAEHM CC(C)(C)C1CCC(N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000086805666 179338232 /nfs/dbraw/zinc/33/82/32/179338232.db2.gz LXKLPWGTBWGYQR-BPCQOVAHSA-N -1 3 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2.342 10 0 CEAEHM O=C1[N-]c2cc(N3Cc4ccccc4C3)ccc2C1=O ZINC000050911439 527087374 /nfs/dbraw/zinc/08/73/74/527087374.db2.gz HOCBYFLHZQJGGY-UHFFFAOYSA-N -1 3 264.284 2.342 10 0 CEAEHM NC[C@@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000061612446 527201522 /nfs/dbraw/zinc/20/15/22/527201522.db2.gz HEGAJWKKCSIAME-CYBMUJFWSA-N -1 3 284.315 2.066 10 0 CEAEHM CC(C)C[C@@H]1C(=O)NCCCN1Cc1ccc([O-])c(F)c1 ZINC000894612852 629558567 /nfs/dbraw/zinc/55/85/67/629558567.db2.gz PBXOULANILALJX-CQSZACIVSA-N -1 3 294.370 2.268 10 0 CEAEHM CCN1C[C@@H](c2cc(F)cc(F)c2)[C@H](C(=O)[O-])C1 ZINC000757183016 631828800 /nfs/dbraw/zinc/82/88/00/631828800.db2.gz AFKVDSKSTKTFRV-NWDGAFQWSA-N -1 3 255.264 2.085 10 0 CEAEHM CCN1C[C@@H](C(=O)[O-])[C@@H](c2cc(F)cc(F)c2)C1 ZINC000757183025 631830174 /nfs/dbraw/zinc/83/01/74/631830174.db2.gz AFKVDSKSTKTFRV-VXGBXAGGSA-N -1 3 255.264 2.085 10 0 CEAEHM CCOC(=O)c1cc2c(Cl)[n-]c(Cl)nc-2n1 ZINC000095830991 185029555 /nfs/dbraw/zinc/02/95/55/185029555.db2.gz KPFDAGIRGGNUEC-UHFFFAOYSA-N -1 3 260.080 2.441 10 0 CEAEHM CCOC(=O)c1cc2c(Cl)nc(Cl)[n-]c-2n1 ZINC000095830991 185029557 /nfs/dbraw/zinc/02/95/57/185029557.db2.gz KPFDAGIRGGNUEC-UHFFFAOYSA-N -1 3 260.080 2.441 10 0 CEAEHM CCOC(=O)c1cc2c([n-]1)nc(Cl)nc2Cl ZINC000095830991 185029559 /nfs/dbraw/zinc/02/95/59/185029559.db2.gz KPFDAGIRGGNUEC-UHFFFAOYSA-N -1 3 260.080 2.441 10 0 CEAEHM O=C([N-][C@@H]1CNCc2cccc(Cl)c21)C(F)(F)F ZINC000082806629 178308580 /nfs/dbraw/zinc/30/85/80/178308580.db2.gz MLQOVDLGIAGJLX-MRVPVSSYSA-N -1 3 278.661 2.163 10 0 CEAEHM COc1ccc([O-])c(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000048194670 362249108 /nfs/dbraw/zinc/24/91/08/362249108.db2.gz FNUIARPGOMTVCX-HIFRSBDPSA-N -1 3 291.347 2.184 10 0 CEAEHM CC(C)(C)OC(=O)CCNCc1ccccc1C(=O)[O-] ZINC000114086675 344278960 /nfs/dbraw/zinc/27/89/60/344278960.db2.gz CZOXFXASSDRWTD-UHFFFAOYSA-N -1 3 279.336 2.206 10 0 CEAEHM N/C(=N\[O-])c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000118647634 344292418 /nfs/dbraw/zinc/29/24/18/344292418.db2.gz 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/nfs/dbraw/zinc/32/57/56/179325756.db2.gz RSBDLTUXXRIQIZ-JOYOIKCWSA-N -1 3 288.269 2.482 10 0 CEAEHM COc1ccccc1[C@H](C)N1CCC(OCC(=O)[O-])CC1 ZINC000086773474 179326779 /nfs/dbraw/zinc/32/67/79/179326779.db2.gz GXGFHUCRLBKQOW-LBPRGKRZSA-N -1 3 293.363 2.322 10 0 CEAEHM COc1cc(CN2CCC[C@H](CC(=O)[O-])C2)ccc1O ZINC000086756829 179323407 /nfs/dbraw/zinc/32/34/07/179323407.db2.gz ATXHIJSVBJBCLK-LLVKDONJSA-N -1 3 279.336 2.088 10 0 CEAEHM COc1cc(CN2CCC[C@@](C)(C(=O)[O-])C2)ccc1O ZINC000086782710 179330749 /nfs/dbraw/zinc/33/07/49/179330749.db2.gz TWACHGWWXMMZID-OAHLLOKOSA-N -1 3 279.336 2.088 10 0 CEAEHM CCOc1cc(CN2CCC[C@](C)(C(=O)[O-])C2)ccc1O ZINC000086783389 179330947 /nfs/dbraw/zinc/33/09/47/179330947.db2.gz GDSCJNHGMZITFD-INIZCTEOSA-N -1 3 293.363 2.478 10 0 CEAEHM O=C([O-])C1CN([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000086811181 179340860 /nfs/dbraw/zinc/34/08/60/179340860.db2.gz WUENUOUKWFGLCT-DTWKUNHWSA-N -1 3 251.248 2.124 10 0 CEAEHM CC(C)CSCc1nc2c(c(=O)[n-]1)CCCN2 ZINC000087126367 179396484 /nfs/dbraw/zinc/39/64/84/179396484.db2.gz YEROANBDQJRNHL-UHFFFAOYSA-N -1 3 253.371 2.017 10 0 CEAEHM C[C@@H](N)c1nc(C(=O)Nc2ccccc2[O-])cs1 ZINC000090957215 180075064 /nfs/dbraw/zinc/07/50/64/180075064.db2.gz RSEHYZQKSJVMBL-SSDOTTSWSA-N -1 3 263.322 2.121 10 0 CEAEHM CCC[C@@]1(C(=O)[O-])CCN(Cc2cncn2C2CC2)C1 ZINC000091277847 180119769 /nfs/dbraw/zinc/11/97/69/180119769.db2.gz ZIRHWQRQLSEGNM-OAHLLOKOSA-N -1 3 277.368 2.295 10 0 CEAEHM O=C1CN(c2cc(C(F)(F)F)ccc2Cl)C(=O)[N-]1 ZINC000106101788 186101550 /nfs/dbraw/zinc/10/15/50/186101550.db2.gz RNPUNFMCDJFNFV-UHFFFAOYSA-N -1 3 278.617 2.415 10 0 CEAEHM Cc1ccc2nc(CN(CC(=O)[O-])C(C)(C)C)cn2c1 ZINC000092450054 180387716 /nfs/dbraw/zinc/38/77/16/180387716.db2.gz MWVWPVGONHBVDL-UHFFFAOYSA-N -1 3 275.352 2.328 10 0 CEAEHM CCOC(=O)c1nnc(-c2cccc(OC(C)C)c2)[n-]1 ZINC000109605797 186267573 /nfs/dbraw/zinc/26/75/73/186267573.db2.gz JYJIHSXNOOGLTD-UHFFFAOYSA-N -1 3 275.308 2.436 10 0 CEAEHM CCOC(=O)c1nc(-c2cccc(OC(C)C)c2)n[n-]1 ZINC000109605797 186267575 /nfs/dbraw/zinc/26/75/75/186267575.db2.gz JYJIHSXNOOGLTD-UHFFFAOYSA-N -1 3 275.308 2.436 10 0 CEAEHM CCOC(=O)c1nc(Cc2ccccc2Cl)n[n-]1 ZINC000109605544 186267596 /nfs/dbraw/zinc/26/75/96/186267596.db2.gz YKHJUNXIKGFZJA-UHFFFAOYSA-N -1 3 265.700 2.226 10 0 CEAEHM CCOC(=O)c1nnc(Cc2ccccc2Cl)[n-]1 ZINC000109605544 186267598 /nfs/dbraw/zinc/26/75/98/186267598.db2.gz YKHJUNXIKGFZJA-UHFFFAOYSA-N -1 3 265.700 2.226 10 0 CEAEHM CCOC(=O)c1n[n-]c(Cc2ccccc2Cl)n1 ZINC000109605544 186267599 /nfs/dbraw/zinc/26/75/99/186267599.db2.gz YKHJUNXIKGFZJA-UHFFFAOYSA-N -1 3 265.700 2.226 10 0 CEAEHM CCOC(=O)c1nc(-c2cccc3ncccc32)n[n-]1 ZINC000109605757 186267896 /nfs/dbraw/zinc/26/78/96/186267896.db2.gz HZHHBMXNCFTFNU-UHFFFAOYSA-N -1 3 268.276 2.197 10 0 CEAEHM Cc1cc(NC(=O)N(C)CCN(C)C)cc(C(=O)[O-])c1C ZINC000111141668 186359172 /nfs/dbraw/zinc/35/91/72/186359172.db2.gz LZWOULAPXWGBCH-UHFFFAOYSA-N -1 3 293.367 2.027 10 0 CEAEHM CC[C@@H](C)NCC(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278532 186387310 /nfs/dbraw/zinc/38/73/10/186387310.db2.gz FLXQGLBQZCKIMB-MRVPVSSYSA-N -1 3 284.743 2.365 10 0 CEAEHM Cc1cccc(C(=O)N2CCC(Cn3cccn3)CC2)c1[O-] ZINC000131960694 366104340 /nfs/dbraw/zinc/10/43/40/366104340.db2.gz KGGZDUPTZRFHQL-UHFFFAOYSA-N -1 3 299.374 2.450 10 0 CEAEHM CC(F)(F)CN=c1[n-]c(Br)cs1 ZINC000575482113 366291993 /nfs/dbraw/zinc/29/19/93/366291993.db2.gz VSSMZDBETLOJBY-UHFFFAOYSA-N -1 3 257.103 2.395 10 0 CEAEHM CCOc1cccc(Cc2c[nH]c(=S)[n-]c2=O)c1 ZINC000017040063 361504358 /nfs/dbraw/zinc/50/43/58/361504358.db2.gz XPCUMHPHTQRVNI-UHFFFAOYSA-N -1 3 262.334 2.460 10 0 CEAEHM CCOC(=O)c1cc(OC)cc(Br)c1[O-] ZINC000260570458 371636882 /nfs/dbraw/zinc/63/68/82/371636882.db2.gz GXMQXGMXSXBNMS-UHFFFAOYSA-N -1 3 275.098 2.340 10 0 CEAEHM CCOC(=O)c1cc([O-])c(Br)cc1OC ZINC000261340425 371638216 /nfs/dbraw/zinc/63/82/16/371638216.db2.gz HMALUSUGYOKHDR-UHFFFAOYSA-N -1 3 275.098 2.340 10 0 CEAEHM O=C(c1cc([O-])ccc1F)N1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000335101448 296184557 /nfs/dbraw/zinc/18/45/57/296184557.db2.gz ZWDMOSAXWJYZTO-TZMCWYRMSA-N -1 3 291.322 2.172 10 0 CEAEHM CC(C)c1nc(N2CC[C@H](N(C)C)C2)sc1C(=O)[O-] ZINC000093001323 184642104 /nfs/dbraw/zinc/64/21/04/184642104.db2.gz MYIJCLGKXSZZPY-VIFPVBQESA-N -1 3 283.397 2.105 10 0 CEAEHM C[C@H]1CC(CNC(=O)c2ccc(O)cc2[O-])C[C@H](C)O1 ZINC000281312917 195192263 /nfs/dbraw/zinc/19/22/63/195192263.db2.gz PNYAHGPCCQPYHA-UWVGGRQHSA-N -1 3 279.336 2.031 10 0 CEAEHM Cc1ccccc1[C@](C)(CC(=O)[O-])N1CCOCC1 ZINC000080677043 177689812 /nfs/dbraw/zinc/68/98/12/177689812.db2.gz FFCYHSVVMWXBNO-HNNXBMFYSA-N -1 3 263.337 2.017 10 0 CEAEHM O=C([O-])[C@H]1CN(c2ccncc2)Cc2ccccc21 ZINC000087612092 135050741 /nfs/dbraw/zinc/05/07/41/135050741.db2.gz ZLYRTRGAQAMZNB-AWEZNQCLSA-N -1 3 254.289 2.270 10 0 CEAEHM Cc1cc(CS(=O)(=O)c2nc(C3CC3)n[n-]2)c(C)s1 ZINC000194816034 153267244 /nfs/dbraw/zinc/26/72/44/153267244.db2.gz NJLWPNWXVOCRAA-UHFFFAOYSA-N -1 3 297.405 2.334 10 0 CEAEHM Cc1cc(CS(=O)(=O)c2nnc(C3CC3)[n-]2)c(C)s1 ZINC000194816034 153267247 /nfs/dbraw/zinc/26/72/47/153267247.db2.gz NJLWPNWXVOCRAA-UHFFFAOYSA-N -1 3 297.405 2.334 10 0 CEAEHM C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc([O-])cc2)C1 ZINC000230441986 153394137 /nfs/dbraw/zinc/39/41/37/153394137.db2.gz DUEDJABQJVSGFG-WDEREUQCSA-N -1 3 269.366 2.107 10 0 CEAEHM CC[C@H](CSC)N(C)S(=O)(=O)c1ccc([O-])cc1 ZINC000167866925 162363214 /nfs/dbraw/zinc/36/32/14/162363214.db2.gz SVTDQOGPYIAPJW-SNVBAGLBSA-N -1 3 289.422 2.154 10 0 CEAEHM Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000021962334 171342563 /nfs/dbraw/zinc/34/25/63/171342563.db2.gz UODZJPZGSXMBMC-UHFFFAOYSA-N -1 3 284.287 2.348 10 0 CEAEHM Cc1ccc([C@H](C)N2CCN(CC(=O)[O-])CC2)c(C)c1 ZINC000022793549 171398922 /nfs/dbraw/zinc/39/89/22/171398922.db2.gz TZAYHAHKFOSRLT-AWEZNQCLSA-N -1 3 276.380 2.067 10 0 CEAEHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NN)cc1 ZINC000035354673 172145649 /nfs/dbraw/zinc/14/56/49/172145649.db2.gz TUFLWQXFBVVXEO-UHFFFAOYSA-N -1 3 277.349 2.081 10 0 CEAEHM O=C([O-])[C@H](NC1CC1)c1cc(Br)ccc1F ZINC000037183617 173016038 /nfs/dbraw/zinc/01/60/38/173016038.db2.gz JFNKCEVANKCVGH-SNVBAGLBSA-N -1 3 288.116 2.466 10 0 CEAEHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(CN)s2)C1 ZINC000037257130 173067930 /nfs/dbraw/zinc/06/79/30/173067930.db2.gz XRJSVDQZWNIIIV-NXEZZACHSA-N -1 3 288.438 2.064 10 0 CEAEHM CN(C)[C@@H](C(=O)[O-])c1cc(Cl)c2c(c1)OCCCO2 ZINC000037358187 173147552 /nfs/dbraw/zinc/14/75/52/173147552.db2.gz XXYXAUZENOKOGY-LLVKDONJSA-N -1 3 285.727 2.189 10 0 CEAEHM CCN(CCC(=O)[O-])CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000038024288 174006908 /nfs/dbraw/zinc/00/69/08/174006908.db2.gz WMVAFYRAFUNKII-CYBMUJFWSA-N -1 3 292.379 2.003 10 0 CEAEHM CCC(CC)NC(=O)[C@H](C)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028056 174014871 /nfs/dbraw/zinc/01/48/71/174014871.db2.gz VSMALAKVPLFQSS-WCQYABFASA-N -1 3 284.400 2.009 10 0 CEAEHM Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc[nH]c2)c1 ZINC000038033743 174031214 /nfs/dbraw/zinc/03/12/14/174031214.db2.gz CFPOZSKQKJWWRC-UHFFFAOYSA-N -1 3 271.729 2.051 10 0 CEAEHM COc1ccc(-c2c(=O)[n-]c(=O)[nH]c2-c2ccccc2)cc1 ZINC000038476576 174141860 /nfs/dbraw/zinc/14/18/60/174141860.db2.gz VHRRPAKGFQXNBM-UHFFFAOYSA-N -1 3 294.310 2.406 10 0 CEAEHM COc1cccc2c(=O)c(C(=O)Nc3cccnc3)c[n-]c12 ZINC000039962851 174179914 /nfs/dbraw/zinc/17/99/14/174179914.db2.gz GOHPLMRXHHYJLF-UHFFFAOYSA-N -1 3 295.298 2.184 10 0 CEAEHM CCCCOc1ccc(Nc2nc[n-]c(=O)c2N)cc1 ZINC000040754888 174396023 /nfs/dbraw/zinc/39/60/23/174396023.db2.gz KYSOFVAYVQCTDZ-UHFFFAOYSA-N -1 3 274.324 2.275 10 0 CEAEHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2N)c1 ZINC000043327731 175009528 /nfs/dbraw/zinc/00/95/28/175009528.db2.gz XKDDXKSPTUWESY-SNVBAGLBSA-N -1 3 286.331 2.474 10 0 CEAEHM CCCO[C@H]1CCCN(C(=O)c2cc(OC)ccc2[O-])C1 ZINC000043334193 175010642 /nfs/dbraw/zinc/01/06/42/175010642.db2.gz QPFBSVNHEOSYMP-ZDUSSCGKSA-N -1 3 293.363 2.432 10 0 CEAEHM CC1(C)CC[C@@H](NCc2nn[n-]n2)c2ccccc21 ZINC000044927323 175278097 /nfs/dbraw/zinc/27/80/97/175278097.db2.gz CPAUFHAXJIRVOT-GFCCVEGCSA-N 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HTPZMQWCUTVMOK-UHFFFAOYSA-N -1 3 259.309 2.054 10 0 CEAEHM Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1F ZINC000076373659 177009623 /nfs/dbraw/zinc/00/96/23/177009623.db2.gz DXNLPXGYNCZMPX-UHFFFAOYSA-N -1 3 266.297 2.209 10 0 CEAEHM Brc1cncc2sc(-c3nnn[n-]3)cc21 ZINC000202091206 275377751 /nfs/dbraw/zinc/37/77/51/275377751.db2.gz KBTJGPJUKGVFNA-UHFFFAOYSA-N -1 3 282.126 2.239 10 0 CEAEHM Cc1ccn2c(CN3CCCC[C@@H]3C(=O)[O-])cnc2c1 ZINC000263417519 302258866 /nfs/dbraw/zinc/25/88/66/302258866.db2.gz NTCIZGXNWDWVOA-CYBMUJFWSA-N -1 3 273.336 2.082 10 0 CEAEHM CCCC[C@H](C)[N-]S(=O)(=O)c1cc(N)ccc1F ZINC000050886814 521151119 /nfs/dbraw/zinc/15/11/19/521151119.db2.gz XXNMKDXZNQOSRE-VIFPVBQESA-N -1 3 274.361 2.265 10 0 CEAEHM CCNC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000061293140 519906863 /nfs/dbraw/zinc/90/68/63/519906863.db2.gz SISCNTIVDPCIDZ-UHFFFAOYSA-N -1 3 264.325 2.020 10 0 CEAEHM CCN[C@@](COC1CCC1)(C(=O)[O-])c1ccccc1 ZINC000050521501 520154644 /nfs/dbraw/zinc/15/46/44/520154644.db2.gz RMVJYZBUYLGBDR-OAHLLOKOSA-N -1 3 263.337 2.145 10 0 CEAEHM CCCCN1CCOC[C@@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000184179390 520593859 /nfs/dbraw/zinc/59/38/59/520593859.db2.gz PKIBXELZLUXGFN-CQSZACIVSA-N -1 3 292.379 2.140 10 0 CEAEHM CCN(Cc1cc(-c2ccco2)on1)C[C@@H](C)C(=O)[O-] ZINC000061220954 521284382 /nfs/dbraw/zinc/28/43/82/521284382.db2.gz ACIKTMXRDWZLCB-SNVBAGLBSA-N -1 3 278.308 2.477 10 0 CEAEHM CCSCC[C@H](C)NS(=O)(=O)c1ccc([O-])cc1 ZINC000160495197 521716419 /nfs/dbraw/zinc/71/64/19/521716419.db2.gz FSCVXXMUNGCPTE-JTQLQIEISA-N -1 3 289.422 2.202 10 0 CEAEHM CN(C)C[C@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000061652180 521865770 /nfs/dbraw/zinc/86/57/70/521865770.db2.gz AICDXLBWZMBLOU-LLVKDONJSA-N -1 3 282.771 2.212 10 0 CEAEHM CC[C@@H](CC(=O)[O-])N1CCc2cc(OC)c(OC)cc2C1 ZINC000062750512 522484519 /nfs/dbraw/zinc/48/45/19/522484519.db2.gz KWWKFABKYANCMW-ZDUSSCGKSA-N -1 3 293.363 2.315 10 0 CEAEHM CN1CCC[C@@H](Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000054529356 523817728 /nfs/dbraw/zinc/81/77/28/523817728.db2.gz KVNBGTJIXYUXDJ-SNVBAGLBSA-N -1 3 252.289 2.030 10 0 CEAEHM CN(C(=O)CN1CCCC[C@@H]1CCC(=O)[O-])C1=CCCC1 ZINC000050924266 523818449 /nfs/dbraw/zinc/81/84/49/523818449.db2.gz DAUNGOVOVXTUKU-CQSZACIVSA-N -1 3 294.395 2.232 10 0 CEAEHM Cc1cc(C)c(C(=O)[O-])c(NCCN2CCCCC2)n1 ZINC000049575638 524243054 /nfs/dbraw/zinc/24/30/54/524243054.db2.gz KJTBKVCKTSUARK-UHFFFAOYSA-N -1 3 277.368 2.294 10 0 CEAEHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000052299803 524963980 /nfs/dbraw/zinc/96/39/80/524963980.db2.gz FSFMKTMNRTYMIE-NTSWFWBYSA-N -1 3 296.211 2.197 10 0 CEAEHM C[C@H](N[C@@H](c1ccccc1)c1ccncc1)C(=O)[O-] ZINC000049356240 525545202 /nfs/dbraw/zinc/54/52/02/525545202.db2.gz FCMVIAGDTJOESG-FZMZJTMJSA-N -1 3 256.305 2.234 10 0 CEAEHM Cc1ccc(C(=O)[O-])c(N2CCN(C(C)(C)C)CC2)n1 ZINC000054552297 526231503 /nfs/dbraw/zinc/23/15/03/526231503.db2.gz MFMHOKOKCPZLJZ-UHFFFAOYSA-N -1 3 277.368 2.009 10 0 CEAEHM O=C([O-])[C@@H](NCc1c(F)cccc1Cl)C1CC1 ZINC000054522409 527654550 /nfs/dbraw/zinc/65/45/50/527654550.db2.gz DBVYXIZEUGNELK-NSHDSACASA-N -1 3 257.692 2.432 10 0 CEAEHM CC[C@@H](C)N1CCN(c2cccc(F)c2C(=O)[O-])CC1 ZINC000093411204 535565957 /nfs/dbraw/zinc/56/59/57/535565957.db2.gz UKBLHWVOWMKAFN-LLVKDONJSA-N -1 3 280.343 2.444 10 0 CEAEHM Cc1c([N-]S(=O)(=O)/C=C/c2ccccc2)cnn1C ZINC000176973815 625331565 /nfs/dbraw/zinc/33/15/65/625331565.db2.gz OCPBQWZSJRULKM-CMDGGOBGSA-N -1 3 277.349 2.141 10 0 CEAEHM Cc1c(N)nc(-c2ccc(Br)cc2)[n-]c1=O ZINC000082450730 178029170 /nfs/dbraw/zinc/02/91/70/178029170.db2.gz PBOZRLZZPVGUHO-UHFFFAOYSA-N -1 3 280.125 2.090 10 0 CEAEHM Nc1c(C(=O)[O-])oc2cccc(Br)c12 ZINC000095929658 185031582 /nfs/dbraw/zinc/03/15/82/185031582.db2.gz XIYZEFWDFCIQRF-UHFFFAOYSA-N -1 3 256.055 2.476 10 0 CEAEHM CC[C@H](Oc1c(Br)cccc1CN)C(=O)[O-] ZINC000082757640 178278329 /nfs/dbraw/zinc/27/83/29/178278329.db2.gz JKVUUZIYOOKZFG-VIFPVBQESA-N -1 3 288.141 2.150 10 0 CEAEHM Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c([O-])c1C ZINC000048565332 362285346 /nfs/dbraw/zinc/28/53/46/362285346.db2.gz JTIKBJMGOFTCQY-AAEUAGOBSA-N -1 3 263.337 2.306 10 0 CEAEHM CCOC(=O)C(=O)[N-]c1c(F)ccc(Cl)c1F ZINC000584603183 344963158 /nfs/dbraw/zinc/96/31/58/344963158.db2.gz XRDWKKVBHDWXEC-UHFFFAOYSA-N -1 3 263.627 2.120 10 0 CEAEHM Cc1nc(-c2cccc(C(F)(F)F)c2)[n-]c(=O)c1CCO ZINC000085403937 179052938 /nfs/dbraw/zinc/05/29/38/179052938.db2.gz RNHUNDYISFALFS-UHFFFAOYSA-N -1 3 298.264 2.299 10 0 CEAEHM CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])c1ccccc1 ZINC000085819519 179183150 /nfs/dbraw/zinc/18/31/50/179183150.db2.gz JTQNWXJUBUJWJU-KBPBESRZSA-N -1 3 292.379 2.082 10 0 CEAEHM O=C([O-])COC1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000086773350 179326679 /nfs/dbraw/zinc/32/66/79/179326679.db2.gz YOBUMURWONTQLG-UHFFFAOYSA-N -1 3 299.754 2.111 10 0 CEAEHM C[C@H](N1CCO[C@H](C(=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC000086804912 179337992 /nfs/dbraw/zinc/33/79/92/179337992.db2.gz CWXYYBXBVWJQPH-INRQWTSDSA-N -1 3 293.407 2.377 10 0 CEAEHM CC[C@H]1CCC[C@](C(=O)[O-])(N2CCOCC2)CC1 ZINC000086920522 179368019 /nfs/dbraw/zinc/36/80/19/179368019.db2.gz IFEVBOCCBJTTKP-JSGCOSHPSA-N -1 3 255.358 2.132 10 0 CEAEHM C[C@@H]1CCC[C@](O)(CNC(=O)c2ccccc2[O-])C1 ZINC000087071739 179392023 /nfs/dbraw/zinc/39/20/23/179392023.db2.gz HJIZFFLGLOXQAP-IAQYHMDHSA-N -1 3 263.337 2.063 10 0 CEAEHM CCc1c(N)nc(CSc2ccccc2)[n-]c1=O ZINC000087161575 179398112 /nfs/dbraw/zinc/39/81/12/179398112.db2.gz YASRKZBAWWBOKM-UHFFFAOYSA-N -1 3 261.350 2.207 10 0 CEAEHM CCCc1c(N)nc(CS[C@H](C)CC)[n-]c1=O ZINC000087128071 179396227 /nfs/dbraw/zinc/39/62/27/179396227.db2.gz KRXULMDAUGOWLD-MRVPVSSYSA-N -1 3 255.387 2.336 10 0 CEAEHM CC(C)(C)N1CCN[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000616634292 348542246 /nfs/dbraw/zinc/54/22/46/348542246.db2.gz PUOBKVAAXUVSBF-ZDUSSCGKSA-N -1 3 262.353 2.130 10 0 CEAEHM O=C([O-])c1ccc([C@H]2c3ccccc3CCN2CCO)cc1 ZINC000616679365 348558195 /nfs/dbraw/zinc/55/81/95/348558195.db2.gz UPXPBXDROBZVKS-KRWDZBQOSA-N -1 3 297.354 2.325 10 0 CEAEHM O=C([O-])c1cccc(OCCCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090908205 180062009 /nfs/dbraw/zinc/06/20/09/180062009.db2.gz NVBXYVNLDLNXIJ-GASCZTMLSA-N -1 3 291.347 2.017 10 0 CEAEHM O=C([O-])C[C@@H]1CSCCN1CCc1ccsc1 ZINC000091132319 180102142 /nfs/dbraw/zinc/10/21/42/180102142.db2.gz AVRXNTMJONUFRW-LLVKDONJSA-N -1 3 271.407 2.183 10 0 CEAEHM CC(C)n1cncc1[C@@H](C(=O)[O-])N1CCCCC1 ZINC000091273813 180118194 /nfs/dbraw/zinc/11/81/94/180118194.db2.gz JGFWYWURTRCEOZ-LBPRGKRZSA-N -1 3 251.330 2.076 10 0 CEAEHM CCOc1cc2c(c3c1C[C@H](C)N[C@@H]3C(=O)[O-])O[C@H](C)C2 ZINC000091544387 180185872 /nfs/dbraw/zinc/18/58/72/180185872.db2.gz ZXBLSXRWOWUAJO-QIBSRJKCSA-N -1 3 291.347 2.069 10 0 CEAEHM C[C@@H]1Cc2ccc(OC(F)(F)F)cc2[C@H](C(=O)[O-])N1 ZINC000091545285 180186545 /nfs/dbraw/zinc/18/65/45/180186545.db2.gz METXIYBYAIHJTE-LHLIQPBNSA-N -1 3 275.226 2.245 10 0 CEAEHM COC[C@H](C)N(C)Cc1ccccc1/C=C\C(=O)[O-] ZINC000105220721 186047730 /nfs/dbraw/zinc/04/77/30/186047730.db2.gz PYROGHJOOXHUHT-LAUAKBEESA-N -1 3 263.337 2.251 10 0 CEAEHM COc1nccc(N(C)C)c1NCc1nc(C)ccc1[O-] ZINC000091993773 180301122 /nfs/dbraw/zinc/30/11/22/180301122.db2.gz WTQXRBBCKALMPF-UHFFFAOYSA-N -1 3 288.351 2.177 10 0 CEAEHM CC[C@@H](Oc1ccc(C)nc1CNC(C)C)C(=O)[O-] ZINC000091995589 180302526 /nfs/dbraw/zinc/30/25/26/180302526.db2.gz NHGSXGBMBGOBAZ-GFCCVEGCSA-N -1 3 266.341 2.130 10 0 CEAEHM O=C1CN(c2ccc(Cl)c(C(F)(F)F)c2)C(=O)[N-]1 ZINC000106101829 186102107 /nfs/dbraw/zinc/10/21/07/186102107.db2.gz UHRNHORTBBDYQW-UHFFFAOYSA-N -1 3 278.617 2.415 10 0 CEAEHM Cc1noc(C)c1CNC[C@H](C(=O)[O-])c1ccccc1 ZINC000092339543 180365397 /nfs/dbraw/zinc/36/53/97/180365397.db2.gz JHPWTCDBRAYJKE-AWEZNQCLSA-N -1 3 274.320 2.249 10 0 CEAEHM Cc1cc(CN2CC(C(=O)[O-])C2)c2ccccc2n1 ZINC000092346897 180366509 /nfs/dbraw/zinc/36/65/09/180366509.db2.gz HZPMOSDCRUTCBP-UHFFFAOYSA-N -1 3 256.305 2.060 10 0 CEAEHM CCCc1c(N)nc(Cc2ccccc2C)[n-]c1=O ZINC000110472989 186297958 /nfs/dbraw/zinc/29/79/58/186297958.db2.gz QEQWLWJGUNIOOA-UHFFFAOYSA-N -1 3 257.337 2.204 10 0 CEAEHM O=C([O-])c1cc(F)ccc1N[C@H]1CCN(C2CC2)C1 ZINC000111028995 186346083 /nfs/dbraw/zinc/34/60/83/186346083.db2.gz FWLYXIQFZUONFB-JTQLQIEISA-N -1 3 264.300 2.173 10 0 CEAEHM CC(C)C[C@H](N)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278455 186386186 /nfs/dbraw/zinc/38/61/86/186386186.db2.gz GHILPHFXDNHDQU-VIFPVBQESA-N -1 3 284.743 2.350 10 0 CEAEHM CCN1CCC[C@@H]1CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000124066312 187121057 /nfs/dbraw/zinc/12/10/57/187121057.db2.gz QSCBXRNLQMTJDJ-GFCCVEGCSA-N -1 3 280.343 2.088 10 0 CEAEHM CC(Cl)(Cl)C(=O)[N-][C@@H]1COc2ccccc21 ZINC000180060569 189235635 /nfs/dbraw/zinc/23/56/35/189235635.db2.gz QFBXWKYVQHYENX-MRVPVSSYSA-N -1 3 260.120 2.430 10 0 CEAEHM O=C(c1cccc([O-])c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000082282663 363758411 /nfs/dbraw/zinc/75/84/11/363758411.db2.gz JUQKJRDUAMDVHJ-AWEZNQCLSA-N -1 3 271.320 2.483 10 0 CEAEHM COc1cc(OC)c2[n-]cc(Br)c(=O)c2c1 ZINC000156962222 366839814 /nfs/dbraw/zinc/83/98/14/366839814.db2.gz IRHSMTVREPNTAM-UHFFFAOYSA-N -1 3 284.109 2.308 10 0 CEAEHM c1cc2c(c3ncc(-c4nnn[n-]4)cc13)CCCC2 ZINC000169332898 367368773 /nfs/dbraw/zinc/36/87/73/367368773.db2.gz QLMMFDKYKHBPTI-UHFFFAOYSA-N -1 3 251.293 2.294 10 0 CEAEHM c1cc2c(c3ncc(-c4nn[n-]n4)cc13)CCCC2 ZINC000169332898 367368778 /nfs/dbraw/zinc/36/87/78/367368778.db2.gz QLMMFDKYKHBPTI-UHFFFAOYSA-N -1 3 251.293 2.294 10 0 CEAEHM O=C(c1ccccc1)c1cccc2c1[N-]C(=O)C2=O ZINC000169321242 367368868 /nfs/dbraw/zinc/36/88/68/367368868.db2.gz DCLKAUIECUBKDF-UHFFFAOYSA-N -1 3 251.241 2.052 10 0 CEAEHM CC(C)c1oc(NC(=O)c2ccc(Cl)cc2)nc1[O-] ZINC000227173938 370363910 /nfs/dbraw/zinc/36/39/10/370363910.db2.gz XHKAKHCIYLFTTG-JTQLQIEISA-N -1 3 280.711 2.007 10 0 CEAEHM CC(C)c1nc2c(nnn2Cc2ccccc2)c(=O)[n-]1 ZINC000253574147 371530864 /nfs/dbraw/zinc/53/08/64/371530864.db2.gz SFOLZMZAJLFYOS-UHFFFAOYSA-N -1 3 269.308 2.099 10 0 CEAEHM C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000190082597 542333416 /nfs/dbraw/zinc/33/34/16/542333416.db2.gz PVMSNDCUYKCERF-WPRPVWTQSA-N -1 3 253.273 2.285 10 0 CEAEHM CS(=O)(=O)[N-]c1cc(N2CCCCC2)ccc1F ZINC000041373756 134880062 /nfs/dbraw/zinc/88/00/62/134880062.db2.gz WEIVHZSPSRGKAX-UHFFFAOYSA-N -1 3 272.345 2.188 10 0 CEAEHM O=C1[N-]c2cc(OCc3ccccc3)ccc2C1=O ZINC000031866879 394487068 /nfs/dbraw/zinc/48/70/68/394487068.db2.gz SJUHDYWILSOYEK-UHFFFAOYSA-N -1 3 253.257 2.400 10 0 CEAEHM CCOC(=O)[C@@]([O-])(c1ccc(OC)cc1)C(F)(F)F ZINC000038332024 394498079 /nfs/dbraw/zinc/49/80/79/394498079.db2.gz ZVJFJKAOLORYND-NSHDSACASA-N -1 3 278.226 2.008 10 0 CEAEHM CCOc1ccc(CN2CCSC[C@H]2C(=O)[O-])cc1 ZINC000215360159 153290375 /nfs/dbraw/zinc/29/03/75/153290375.db2.gz XIDGBFHMVDKGHB-ZDUSSCGKSA-N -1 3 281.377 2.087 10 0 CEAEHM O=C(NCc1cccnc1)c1cc(-c2ccccc2[O-])no1 ZINC000006783122 170243224 /nfs/dbraw/zinc/24/32/24/170243224.db2.gz OFFNVKDGFHOOLA-UHFFFAOYSA-N -1 3 295.298 2.372 10 0 CEAEHM CCCN(CCC)c1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000034188891 171834147 /nfs/dbraw/zinc/83/41/47/171834147.db2.gz CXEVZXFIVLPPJS-UHFFFAOYSA-N -1 3 263.263 2.415 10 0 CEAEHM CN(C)[C@@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000037358489 173148358 /nfs/dbraw/zinc/14/83/58/173148358.db2.gz VPLJGLKSPKBWDR-SECBINFHSA-N -1 3 276.105 2.276 10 0 CEAEHM C[C@@](C(=O)[O-])(c1cc(F)ccc1F)N1CCCC1 ZINC000037359744 173149128 /nfs/dbraw/zinc/14/91/28/173149128.db2.gz RRPXTEWNIVNRDG-ZDUSSCGKSA-N -1 3 255.264 2.360 10 0 CEAEHM C[C@@](C(=O)[O-])(c1c(F)cccc1F)N1CCCC1 ZINC000037359787 173149648 /nfs/dbraw/zinc/14/96/48/173149648.db2.gz AUSHPVIILPLXHT-ZDUSSCGKSA-N -1 3 255.264 2.360 10 0 CEAEHM CC[C@H](C)[C@@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000040483951 174287539 /nfs/dbraw/zinc/28/75/39/174287539.db2.gz ZQJKEMCVHLEORQ-XHDPSFHLSA-N -1 3 292.379 2.176 10 0 CEAEHM CCCC[C@H](N)C(=O)N(CCC(=O)[O-])c1ccccc1 ZINC000040483913 174287668 /nfs/dbraw/zinc/28/76/68/174287668.db2.gz VPMCKKKVIROBAH-ZDUSSCGKSA-N -1 3 278.352 2.012 10 0 CEAEHM CC[C@H](C)[C@@H](N)C(=O)N(CCCC(=O)[O-])c1ccccc1 ZINC000040484197 174287817 /nfs/dbraw/zinc/28/78/17/174287817.db2.gz CQOOPQSZPNQBIV-SWLSCSKDSA-N -1 3 292.379 2.258 10 0 CEAEHM COC[C@H](C)N(C)Cc1cc(/C=C/C(=O)[O-])cs1 ZINC000043699188 175097591 /nfs/dbraw/zinc/09/75/91/175097591.db2.gz CEPIOUWQIZTEMS-YEZKRMTDSA-N -1 3 269.366 2.313 10 0 CEAEHM C[C@H](NCc1cccc2ccccc21)c1nn[n-]n1 ZINC000044887959 175270970 /nfs/dbraw/zinc/27/09/70/175270970.db2.gz BJHNTKNDOZYCEP-JTQLQIEISA-N -1 3 253.309 2.204 10 0 CEAEHM C[C@H](NCc1cccc2ccccc21)c1nnn[n-]1 ZINC000044887959 175270971 /nfs/dbraw/zinc/27/09/71/175270971.db2.gz BJHNTKNDOZYCEP-JTQLQIEISA-N -1 3 253.309 2.204 10 0 CEAEHM COCC[C@@H](C)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000045023906 175292457 /nfs/dbraw/zinc/29/24/57/175292457.db2.gz SNWZFLMVDMLWMA-SECBINFHSA-N -1 3 290.360 2.034 10 0 CEAEHM COc1cccc(C(=O)N[C@@H](C)c2nccs2)c1[O-] ZINC000070941990 176015349 /nfs/dbraw/zinc/01/53/49/176015349.db2.gz PLZYJVQZXMRYRH-QMMMGPOBSA-N -1 3 278.333 2.348 10 0 CEAEHM O=C([O-])c1ccc(CNC[C@H]2Cc3ccccc3O2)o1 ZINC000071396096 176149634 /nfs/dbraw/zinc/14/96/34/176149634.db2.gz PTPXKRDHRVWLIJ-GFCCVEGCSA-N -1 3 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ZINC000109598992 186266176 /nfs/dbraw/zinc/26/61/76/186266176.db2.gz ORFKCOHZDLHHAM-SECBINFHSA-N -1 3 283.759 2.329 10 0 CEAEHM CCc1c(N)nc(Cc2cc(C)cc(C)c2)[n-]c1=O ZINC000110472703 186298245 /nfs/dbraw/zinc/29/82/45/186298245.db2.gz PGGFVIDZIRMIDK-UHFFFAOYSA-N -1 3 257.337 2.122 10 0 CEAEHM CN(CC1CCCC1)c1ccc2c(c1)[N-]C(=O)C2=O ZINC000110837429 186328999 /nfs/dbraw/zinc/32/89/99/186328999.db2.gz SGEJEHXHFINIQN-UHFFFAOYSA-N -1 3 258.321 2.448 10 0 CEAEHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000111043218 186347575 /nfs/dbraw/zinc/34/75/75/186347575.db2.gz LBOHPQQUJOIBQX-UHFFFAOYSA-N -1 3 297.767 2.426 10 0 CEAEHM Cc1c(C(F)(F)F)nc([C@H](N)C(C)(C)C)[n-]c1=O ZINC000111308122 186395168 /nfs/dbraw/zinc/39/51/68/186395168.db2.gz XOFGQHBYDBHMAJ-LURJTMIESA-N -1 3 263.263 2.143 10 0 CEAEHM CC[C@H](C)NCC(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278533 186386326 /nfs/dbraw/zinc/38/63/26/186386326.db2.gz FLXQGLBQZCKIMB-QMMMGPOBSA-N -1 3 284.743 2.365 10 0 CEAEHM CCCC[C@@H](NC(=O)[C@H](N)CC1CCCCC1)C(=O)[O-] ZINC000380316532 540129792 /nfs/dbraw/zinc/12/97/92/540129792.db2.gz XWCJCLKETNFADD-CHWSQXEVSA-N -1 3 284.400 2.044 10 0 CEAEHM Nc1c(Br)c([O-])ccc1OC(F)F ZINC000575723693 366346601 /nfs/dbraw/zinc/34/66/01/366346601.db2.gz ZSXGVHBUESDICF-UHFFFAOYSA-N -1 3 254.030 2.338 10 0 CEAEHM Cn1cc([C@@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000179540681 189200929 /nfs/dbraw/zinc/20/09/29/189200929.db2.gz CGBIRPRRTHNHLR-ZDUSSCGKSA-N -1 3 271.320 2.103 10 0 CEAEHM Cc1cc(NC[C@@H](C)O)c2cccc(C(=O)[O-])c2n1 ZINC000004226598 361306468 /nfs/dbraw/zinc/30/64/68/361306468.db2.gz RYNXTVMUBZLEIN-SECBINFHSA-N -1 3 260.293 2.034 10 0 CEAEHM CC(=O)NCCc1cccc2ccc3occ([O-])c3c21 ZINC000013781228 361442454 /nfs/dbraw/zinc/44/24/54/361442454.db2.gz JKDJHCNMGOZSAO-UHFFFAOYSA-N -1 3 269.300 2.094 10 0 CEAEHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H](C)O1 ZINC000235674949 370573480 /nfs/dbraw/zinc/57/34/80/370573480.db2.gz ABCAAFPKOFFBCW-IUCAKERBSA-N -1 3 269.728 2.295 10 0 CEAEHM Cc1c(N)n[nH]c1-c1cc(Br)ccc1[O-] ZINC000261507745 190040041 /nfs/dbraw/zinc/04/00/41/190040041.db2.gz LWQBUHDFRGJARI-UHFFFAOYSA-N -1 3 268.114 2.435 10 0 CEAEHM C[C@@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C[C@H](C)O1 ZINC000281042410 195080818 /nfs/dbraw/zinc/08/08/18/195080818.db2.gz FNNNHGDPLLGZJH-ZSBIGDGJSA-N -1 3 263.337 2.326 10 0 CEAEHM C[C@@H]1COC[C@@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000335336311 208219654 /nfs/dbraw/zinc/21/96/54/208219654.db2.gz HDPVPMZSKZHEJY-RKDXNWHRSA-N -1 3 269.728 2.295 10 0 CEAEHM C[C@@H]1C[C@@H](CNC(=O)c2ccc(O)cc2[O-])C[C@H](C)O1 ZINC000281312909 195191908 /nfs/dbraw/zinc/19/19/08/195191908.db2.gz PNYAHGPCCQPYHA-JGPRNRPPSA-N -1 3 279.336 2.031 10 0 CEAEHM Cc1ccc([C@](C)(NC[C@@H]2CCCO2)C(=O)[O-])cc1F ZINC000094838450 184878028 /nfs/dbraw/zinc/87/80/28/184878028.db2.gz TVWOBTAYCCBSQV-WFASDCNBSA-N -1 3 281.327 2.203 10 0 CEAEHM O=C([O-])c1c(F)cccc1N1CCN(CC2CC2)CC1 ZINC000093411198 135080870 /nfs/dbraw/zinc/08/08/70/135080870.db2.gz YKMPMDMRDSULDD-UHFFFAOYSA-N -1 3 278.327 2.056 10 0 CEAEHM C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(C(=O)[O-])cc1 ZINC000094440361 135088677 /nfs/dbraw/zinc/08/86/77/135088677.db2.gz AKYKJHROBZBKTR-SWLSCSKDSA-N -1 3 274.364 2.448 10 0 CEAEHM CC(C)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000278696985 394833813 /nfs/dbraw/zinc/83/38/13/394833813.db2.gz MOKHRMRCSNLSQI-ZETCQYMHSA-N -1 3 280.752 2.197 10 0 CEAEHM C[C@@H](C(=O)[O-])N(Cc1cccc(F)c1F)C1CC1 ZINC000263318025 154056310 /nfs/dbraw/zinc/05/63/10/154056310.db2.gz ICNULVLBYVTZCJ-QMMMGPOBSA-N -1 3 255.264 2.402 10 0 CEAEHM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([O-])cc2)[C@@H](C)C1 ZINC000226207193 296735003 /nfs/dbraw/zinc/73/50/03/296735003.db2.gz MXFDZWTZUBJZSR-SUNKGSAMSA-N -1 3 283.393 2.495 10 0 CEAEHM CC(C)c1nc(C2([N-]S(=O)(=O)C3CC3)CCCC2)no1 ZINC000177611901 165202784 /nfs/dbraw/zinc/20/27/84/165202784.db2.gz PXPSOMNNXJHLLJ-UHFFFAOYSA-N -1 3 299.396 2.044 10 0 CEAEHM COc1ccc(-n2nc(CC(C)=O)[n-]c2=S)cc1 ZINC000005831421 170144750 /nfs/dbraw/zinc/14/47/50/170144750.db2.gz BROHWBPUFHAMIU-UHFFFAOYSA-N -1 3 263.322 2.070 10 0 CEAEHM O=c1cc2[n-]c(=O)c3c(n2n1-c1ccccc1)CCCC3 ZINC000005942325 170159956 /nfs/dbraw/zinc/15/99/56/170159956.db2.gz JAHKDKAKGXNSGA-UHFFFAOYSA-N -1 3 281.315 2.070 10 0 CEAEHM O=C(c1ccccc1)c1cnc2cc3c(cc2c1[O-])OCO3 ZINC000008673171 170344834 /nfs/dbraw/zinc/34/48/34/170344834.db2.gz ZRNCYGRYBLRHPP-UHFFFAOYSA-N -1 3 293.278 2.488 10 0 CEAEHM Cc1cccc([N-]S(=O)(=O)c2ccc(NN)cc2)c1C ZINC000035354652 172145570 /nfs/dbraw/zinc/14/55/70/172145570.db2.gz SJORZHUZHKFBRE-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM Cc1occc1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000035369081 172160913 /nfs/dbraw/zinc/16/09/13/172160913.db2.gz FCNGHDXJEZUOQV-UHFFFAOYSA-N -1 3 279.317 2.191 10 0 CEAEHM O=C([O-])CNCc1cc(Cl)ccc1OC(F)F ZINC000035384916 172166969 /nfs/dbraw/zinc/16/69/69/172166969.db2.gz YMPVMVMIJKKVNV-UHFFFAOYSA-N -1 3 265.643 2.116 10 0 CEAEHM COC(=O)CSCc1cc(F)cc(C(C)=O)c1[O-] ZINC000037331002 173132338 /nfs/dbraw/zinc/13/23/38/173132338.db2.gz IVEAEPXASQUUSY-UHFFFAOYSA-N -1 3 272.297 2.140 10 0 CEAEHM CCc1c(C)nc(-c2ccc(OC)c(OC)c2)[n-]c1=O ZINC000038003929 173966205 /nfs/dbraw/zinc/96/62/05/173966205.db2.gz DYRILNUUUJMEQT-UHFFFAOYSA-N -1 3 274.320 2.325 10 0 CEAEHM O=C([O-])c1ccc(Cl)c(NC(=O)[C@@H]2CCCCN2)c1 ZINC000040479283 174283586 /nfs/dbraw/zinc/28/35/86/174283586.db2.gz PJXQVGDQIHDPKX-JTQLQIEISA-N -1 3 282.727 2.119 10 0 CEAEHM CC[C@H](C)[C@H](N)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000040479322 174283694 /nfs/dbraw/zinc/28/36/94/174283694.db2.gz ZATOBHQQPHUBGV-CPCISQLKSA-N -1 3 284.743 2.350 10 0 CEAEHM CC[C@H](C)[C@H](N)C(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000040484600 174288040 /nfs/dbraw/zinc/28/80/40/174288040.db2.gz ZJWIRPIXFWVBCA-ZANVPECISA-N -1 3 298.770 2.131 10 0 CEAEHM CCCC[C@@H](N)C(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000040484782 174288109 /nfs/dbraw/zinc/28/81/09/174288109.db2.gz NHOYFDJVRMTIHV-GFCCVEGCSA-N -1 3 298.770 2.275 10 0 CEAEHM CN1CCC[C@@H](NC(=O)CC2(CC(=O)[O-])CCCCC2)C1 ZINC000040673264 174371768 /nfs/dbraw/zinc/37/17/68/174371768.db2.gz ZAMOAICXTOWABV-CYBMUJFWSA-N -1 3 296.411 2.012 10 0 CEAEHM CN1CCC[C@@H](Nc2cc(C(=O)[O-])c3ccccc3n2)C1 ZINC000040716209 174383181 /nfs/dbraw/zinc/38/31/81/174383181.db2.gz KLWIHYFGNNLTIG-LLVKDONJSA-N -1 3 285.347 2.439 10 0 CEAEHM CCCN(CCO)Cc1sccc1/C=C/C(=O)[O-] ZINC000043684658 175093182 /nfs/dbraw/zinc/09/31/82/175093182.db2.gz NNHUXFFYSSFHGU-ONEGZZNKSA-N -1 3 269.366 2.050 10 0 CEAEHM CCCOc1ccc([C@H](C)N[C@H](C)c2nn[n-]n2)cc1 ZINC000044888267 175271262 /nfs/dbraw/zinc/27/12/62/175271262.db2.gz XMKXPUCDSABYAM-WDEREUQCSA-N -1 3 275.356 2.400 10 0 CEAEHM CC[C@@H](NCc1nn[n-]n1)c1ccc(Cl)cc1 ZINC000044927899 175277739 /nfs/dbraw/zinc/27/77/39/175277739.db2.gz OUKRTEFEZWRHTD-SNVBAGLBSA-N -1 3 251.721 2.094 10 0 CEAEHM c1csc([C@H](NCc2nn[n-]n2)C2CCCC2)c1 ZINC000044929082 175279084 /nfs/dbraw/zinc/27/90/84/175279084.db2.gz CHLZBVIPELGFTB-GFCCVEGCSA-N -1 3 263.370 2.282 10 0 CEAEHM c1csc([C@H](NCc2nnn[n-]2)C2CCCC2)c1 ZINC000044929082 175279086 /nfs/dbraw/zinc/27/90/86/175279086.db2.gz CHLZBVIPELGFTB-GFCCVEGCSA-N -1 3 263.370 2.282 10 0 CEAEHM C[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1Cl)N(C)C ZINC000045111635 175310458 /nfs/dbraw/zinc/31/04/58/175310458.db2.gz FJZVPSKZFDEFGS-MRVPVSSYSA-N -1 3 299.758 2.110 10 0 CEAEHM CCc1nc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C)c[nH]1 ZINC000070422478 175919756 /nfs/dbraw/zinc/91/97/56/175919756.db2.gz IECWLABIYHUBRE-WDEREUQCSA-N -1 3 285.413 2.077 10 0 CEAEHM CCC[C@@](C)(N)C(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171363 176051422 /nfs/dbraw/zinc/05/14/22/176051422.db2.gz YVIDTUQLNCYDGW-CQSZACIVSA-N -1 3 264.325 2.149 10 0 CEAEHM C[C@@H](Cc1cccs1)NS(=O)(=O)c1ccc([O-])cc1 ZINC000071272315 176104746 /nfs/dbraw/zinc/10/47/46/176104746.db2.gz NVUUPKSAOVYQSL-JTQLQIEISA-N -1 3 297.401 2.363 10 0 CEAEHM C[C@@H]1CCC[C@@](CO)(NCc2ccc(C(=O)[O-])o2)C1 ZINC000071396281 176150223 /nfs/dbraw/zinc/15/02/23/176150223.db2.gz YVDNVUGNTBPJIV-QMTHXVAHSA-N -1 3 267.325 2.009 10 0 CEAEHM Cc1[nH]c(=O)sc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000071539860 176195289 /nfs/dbraw/zinc/19/52/89/176195289.db2.gz QVNADJFWAQHPNC-UHFFFAOYSA-N -1 3 284.724 2.356 10 0 CEAEHM Cc1cc(Br)c2[n-]cc3c(=O)n(C)nc-3c2c1 ZINC000072237358 176346107 /nfs/dbraw/zinc/34/61/07/176346107.db2.gz FTYSPLHVBXQFOR-UHFFFAOYSA-N -1 3 292.136 2.486 10 0 CEAEHM CC[C@H]1CCCCN1S(=O)(=O)c1ccc([O-])cc1 ZINC000037083714 281059000 /nfs/dbraw/zinc/05/90/00/281059000.db2.gz OABDOBGYAWXATE-NSHDSACASA-N -1 3 269.366 2.345 10 0 CEAEHM CCO[C@@H](CN1CCc2sccc2[C@@H]1C)C(=O)[O-] ZINC000062753684 520311461 /nfs/dbraw/zinc/31/14/61/520311461.db2.gz PHYUMIFGCZANKK-ONGXEEELSA-N -1 3 269.366 2.157 10 0 CEAEHM CC(C)(C)c1cc(=S)n([C@@]2(C)CCS(=O)(=O)C2)[n-]1 ZINC000052304707 519006110 /nfs/dbraw/zinc/00/61/10/519006110.db2.gz JDYAMBYTEHPXBK-LBPRGKRZSA-N -1 3 288.438 2.003 10 0 CEAEHM CCNC(C)(C)C(=O)N(CCC(=O)[O-])c1ccc(C)cc1 ZINC000061297994 519903870 /nfs/dbraw/zinc/90/38/70/519903870.db2.gz IEJQXKYJIRQQNZ-UHFFFAOYSA-N -1 3 292.379 2.191 10 0 CEAEHM CCNC(C)(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000061291703 519906460 /nfs/dbraw/zinc/90/64/60/519906460.db2.gz IYRGCBGDUODHOU-UHFFFAOYSA-N -1 3 288.351 2.109 10 0 CEAEHM CCN[C@H](C)c1cccc(S(=O)(=O)[N-]c2ccon2)c1 ZINC000061685618 520179841 /nfs/dbraw/zinc/17/98/41/520179841.db2.gz TWJPVPMAVKILOK-SNVBAGLBSA-N -1 3 295.364 2.146 10 0 CEAEHM CCN(CC(=O)NCCC1=CCCCC1)[C@@H](C)CC(=O)[O-] ZINC000061182933 520333713 /nfs/dbraw/zinc/33/37/13/520333713.db2.gz OMNMPGQBGLUHAV-ZDUSSCGKSA-N -1 3 296.411 2.178 10 0 CEAEHM CCO[C@H](CCN(C)Cc1ccsc1)C(=O)[O-] ZINC000062751934 520502665 /nfs/dbraw/zinc/50/26/65/520502665.db2.gz MDBMQAUYTYDFNZ-LLVKDONJSA-N -1 3 257.355 2.060 10 0 CEAEHM CCCC[C@@H](N)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061564393 521073252 /nfs/dbraw/zinc/07/32/52/521073252.db2.gz YJHNOSJNEZJXFG-SNVBAGLBSA-N -1 3 286.278 2.119 10 0 CEAEHM CCN(CCOc1ccccc1C(C)=O)[C@H](C)CC(=O)[O-] ZINC000061182604 521151877 /nfs/dbraw/zinc/15/18/77/521151877.db2.gz UUWRICDQCRUXBX-GFCCVEGCSA-N -1 3 293.363 2.453 10 0 CEAEHM CCN(Cc1cn2cccc(C)c2n1)C(C)(C)C(=O)[O-] ZINC000061176788 521430774 /nfs/dbraw/zinc/43/07/74/521430774.db2.gz WHMLRVVAEZRPKF-UHFFFAOYSA-N -1 3 275.352 2.328 10 0 CEAEHM CCCn1c(=S)[n-]nc1N1CCN(C(C)(C)C)CC1 ZINC000048946085 521619931 /nfs/dbraw/zinc/61/99/31/521619931.db2.gz OSBOXGQCDRIKJU-UHFFFAOYSA-N -1 3 283.445 2.271 10 0 CEAEHM CC[C@@H](C)N(CCOC)Cc1cccnc1C(=O)[O-] ZINC000062755244 522091523 /nfs/dbraw/zinc/09/15/23/522091523.db2.gz BOWICYYXDAIPFQ-LLVKDONJSA-N -1 3 266.341 2.027 10 0 CEAEHM COCc1cc(=O)[n-]c(-c2ccc(F)c(Cl)c2)n1 ZINC000062791609 522903297 /nfs/dbraw/zinc/90/32/97/522903297.db2.gz JHHNTBUQVMZAHH-UHFFFAOYSA-N -1 3 268.675 2.376 10 0 CEAEHM CN(CCOc1cccc(/C=C/C(=O)[O-])c1)C1CC1 ZINC000049626377 522910777 /nfs/dbraw/zinc/91/07/77/522910777.db2.gz JCDQMFRNUJYEBZ-VMPITWQZSA-N -1 3 261.321 2.257 10 0 CEAEHM CN(Cc1ccc(C(=O)[O-])cc1F)C1CCN(C)CC1 ZINC000062756542 523216098 /nfs/dbraw/zinc/21/60/98/523216098.db2.gz IKMSEEBRZPJQOX-UHFFFAOYSA-N -1 3 280.343 2.050 10 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366327093 /nfs/dbraw/zinc/32/70/93/366327093.db2.gz XEPYEUPHNXZRKB-UHFFFAOYSA-N -1 3 269.041 2.248 10 0 CEAEHM COC(=O)Cc1cc([O-])c(F)cc1C(F)(F)F ZINC000575713610 366339930 /nfs/dbraw/zinc/33/99/30/366339930.db2.gz GKHYFUIELGHGOB-UHFFFAOYSA-N -1 3 252.163 2.266 10 0 CEAEHM O=C(c1ccccc1[O-])N1CCO[C@@H](c2nccs2)C1 ZINC000111620769 364746490 /nfs/dbraw/zinc/74/64/90/364746490.db2.gz NWGPDUPDUYXCKY-GFCCVEGCSA-N -1 3 290.344 2.062 10 0 CEAEHM CCN1CCC[C@@H]1CN(C)C(=O)c1c([O-])cccc1F ZINC000228858512 370414918 /nfs/dbraw/zinc/41/49/18/370414918.db2.gz LHECMSBJIMYKCK-LLVKDONJSA-N -1 3 280.343 2.088 10 0 CEAEHM Oc1ccccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000254401123 371535860 /nfs/dbraw/zinc/53/58/60/371535860.db2.gz BDADNLYGNYCCIA-UHFFFAOYSA-N -1 3 280.291 2.018 10 0 CEAEHM O=C([O-])c1csc(CNCCOCC(F)(F)F)c1 ZINC000095005325 184913557 /nfs/dbraw/zinc/91/35/57/184913557.db2.gz VGUNOHBZFMUFHD-UHFFFAOYSA-N -1 3 283.271 2.115 10 0 CEAEHM CCc1ccc(C(=O)N2[C@H](C)COC[C@H]2C)c([O-])c1 ZINC000191749308 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CC(=O)c1cc(F)cc(CSc2nc[nH]n2)c1[O-] ZINC000037331188 173132597 /nfs/dbraw/zinc/13/25/97/173132597.db2.gz ZDQCRADGPDJJLO-UHFFFAOYSA-N -1 3 267.285 2.144 10 0 CEAEHM CS(=O)(=O)c1ccc([N-]c2nsnc2Cl)cc1 ZINC000037372119 173161873 /nfs/dbraw/zinc/16/18/73/173161873.db2.gz YTRYZEASWWJLFE-UHFFFAOYSA-N -1 3 289.769 2.339 10 0 CEAEHM CC[C@H](C)NCC(=O)N(CCC(=O)[O-])c1ccc(C)cc1 ZINC000040483786 174286857 /nfs/dbraw/zinc/28/68/57/174286857.db2.gz FLNNRUSJTDHFJX-ZDUSSCGKSA-N -1 3 292.379 2.191 10 0 CEAEHM CCC[C@@](C)(N)C(=O)N(CCC(=O)[O-])c1ccc(C)cc1 ZINC000040483796 174286870 /nfs/dbraw/zinc/28/68/70/174286870.db2.gz HKUSRNLTUGSVNH-MRXNPFEDSA-N -1 3 292.379 2.320 10 0 CEAEHM CCC[C@@](C)(N)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000040485004 174288493 /nfs/dbraw/zinc/28/84/93/174288493.db2.gz HLVTZQVKWFKLPS-CZUORRHYSA-N -1 3 292.379 2.226 10 0 CEAEHM CN1CCC[C@H](Nc2nc(C(=O)[O-])cc3ccccc32)C1 ZINC000040716210 174383282 /nfs/dbraw/zinc/38/32/82/174383282.db2.gz IDINHTVHZCAWAC-LBPRGKRZSA-N -1 3 285.347 2.439 10 0 CEAEHM CC(C)[C@@](C)(CC(=O)NCCN1CCCCCC1)C(=O)[O-] ZINC000040767984 174398033 /nfs/dbraw/zinc/39/80/33/174398033.db2.gz STTCSLFRGFSQLM-MRXNPFEDSA-N -1 3 298.427 2.116 10 0 CEAEHM COC[C@H](C)N(C)Cc1sccc1/C=C/C(=O)[O-] ZINC000043684607 175092715 /nfs/dbraw/zinc/09/27/15/175092715.db2.gz ZEEDPQCPLKBGGS-YEZKRMTDSA-N -1 3 269.366 2.313 10 0 CEAEHM C[C@H](NCc1nn[n-]n1)c1cccc2ccccc21 ZINC000044927977 175277831 /nfs/dbraw/zinc/27/78/31/175277831.db2.gz JEDGMBAOSCKRQF-JTQLQIEISA-N -1 3 253.309 2.204 10 0 CEAEHM C[C@H](NCc1nnn[n-]1)c1cccc2ccccc21 ZINC000044927977 175277832 /nfs/dbraw/zinc/27/78/32/175277832.db2.gz JEDGMBAOSCKRQF-JTQLQIEISA-N -1 3 253.309 2.204 10 0 CEAEHM C[C@@H](NCc1nn[n-]n1)c1cccc2ccccc21 ZINC000044927978 175278007 /nfs/dbraw/zinc/27/80/07/175278007.db2.gz JEDGMBAOSCKRQF-SNVBAGLBSA-N -1 3 253.309 2.204 10 0 CEAEHM C[C@@H](NCc1nnn[n-]1)c1cccc2ccccc21 ZINC000044927978 175278008 /nfs/dbraw/zinc/27/80/08/175278008.db2.gz JEDGMBAOSCKRQF-SNVBAGLBSA-N -1 3 253.309 2.204 10 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10 0 CEAEHM CCN(Cc1cn2ccccc2n1)[C@@H](C)CC(=O)[O-] ZINC000061182995 521429470 /nfs/dbraw/zinc/42/94/70/521429470.db2.gz OIIDBZPFFNQDAT-NSHDSACASA-N -1 3 261.325 2.019 10 0 CEAEHM CN(C)CCn1nc(C(F)F)c2cc(C(=O)[O-])sc21 ZINC000061629088 521821150 /nfs/dbraw/zinc/82/11/50/521821150.db2.gz JCSGALVAPKOXHP-UHFFFAOYSA-N -1 3 289.307 2.295 10 0 CEAEHM COCC[C@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000052786151 521979647 /nfs/dbraw/zinc/97/96/47/521979647.db2.gz ANZRZTSJJBREJZ-ZDUSSCGKSA-N -1 3 260.293 2.136 10 0 CEAEHM CCc1cc(=O)[n-]c(C2(c3ccccc3)CCOCC2)n1 ZINC000062783298 523741240 /nfs/dbraw/zinc/74/12/40/523741240.db2.gz IIHYDKYGJNEFDX-UHFFFAOYSA-N -1 3 284.359 2.429 10 0 CEAEHM C[C@@H]1CCC[C@](CO)(NC(=O)c2ccc([O-])cc2)C1 ZINC000053104423 524430826 /nfs/dbraw/zinc/43/08/26/524430826.db2.gz RXMIJQVLIYHQPY-ABAIWWIYSA-N -1 3 263.337 2.063 10 0 CEAEHM O=S(=O)(NC[C@@H]1CC=CCC1)c1ccc([O-])cc1 ZINC000045648336 527224125 /nfs/dbraw/zinc/22/41/25/527224125.db2.gz ULYIFFXVBQUWCZ-LLVKDONJSA-N -1 3 267.350 2.027 10 0 CEAEHM O=C(Nc1ccccc1[O-])[C@@H]1Cc2ccccc2N1 ZINC000058602900 527428608 /nfs/dbraw/zinc/42/86/08/527428608.db2.gz OLLDLJSRHCEYGL-ZDUSSCGKSA-N -1 3 254.289 2.368 10 0 CEAEHM O=C([O-])CCC1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000050926652 527575019 /nfs/dbraw/zinc/57/50/19/527575019.db2.gz HWLVEKQZQVIFJI-UHFFFAOYSA-N -1 3 291.347 2.492 10 0 CEAEHM O=C([O-])C[C@H](c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000062756253 527634070 /nfs/dbraw/zinc/63/40/70/527634070.db2.gz KBINESHHDVCSFG-MRXNPFEDSA-N -1 3 288.391 2.230 10 0 CEAEHM CN[C@H](CCC(=O)[O-])c1cc(Cl)ccc1OC ZINC000082296061 177950604 /nfs/dbraw/zinc/95/06/04/177950604.db2.gz VIWOMDCSEFPBBL-SNVBAGLBSA-N -1 3 257.717 2.474 10 0 CEAEHM CCCS(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC000082353781 177973503 /nfs/dbraw/zinc/97/35/03/177973503.db2.gz MYGQPDHDSAVPLO-UHFFFAOYSA-N -1 3 255.339 2.163 10 0 CEAEHM CC(=O)c1c([O-])cncc1CNC(=O)OC(C)(C)C ZINC000095773742 185028259 /nfs/dbraw/zinc/02/82/59/185028259.db2.gz CPTIHQAOGLFUCC-UHFFFAOYSA-N -1 3 266.297 2.015 10 0 CEAEHM [O-]c1csc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000033494181 361782855 /nfs/dbraw/zinc/78/28/55/361782855.db2.gz TXHVTYLYFADORD-UHFFFAOYSA-N -1 3 250.367 2.174 10 0 CEAEHM CCN1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000048482417 362276515 /nfs/dbraw/zinc/27/65/15/362276515.db2.gz RDVQVTQCSPYYEJ-NSHDSACASA-N -1 3 282.771 2.260 10 0 CEAEHM Clc1nnc(-c2ccc(Br)cn2)[n-]1 ZINC000133391531 344368349 /nfs/dbraw/zinc/36/83/49/344368349.db2.gz UZQVVVXTLKYLTG-UHFFFAOYSA-N -1 3 259.494 2.283 10 0 CEAEHM Clc1nc(-c2ccc(Br)cn2)n[n-]1 ZINC000133391531 344368351 /nfs/dbraw/zinc/36/83/51/344368351.db2.gz UZQVVVXTLKYLTG-UHFFFAOYSA-N -1 3 259.494 2.283 10 0 CEAEHM Clc1n[n-]c(-c2ccc(Br)cn2)n1 ZINC000133391531 344368353 /nfs/dbraw/zinc/36/83/53/344368353.db2.gz UZQVVVXTLKYLTG-UHFFFAOYSA-N -1 3 259.494 2.283 10 0 CEAEHM CC1(C)[C@H](Nc2cccc(-c3nnn[n-]3)c2)[C@H]2CCO[C@@H]21 ZINC000085634012 179108778 /nfs/dbraw/zinc/10/87/78/179108778.db2.gz VHYVTTMZFIIAIJ-UPJWGTAASA-N -1 3 285.351 2.092 10 0 CEAEHM CC1(C)[C@H](Nc2cccc(-c3nn[n-]n3)c2)[C@H]2CCO[C@@H]21 ZINC000085634012 179108779 /nfs/dbraw/zinc/10/87/79/179108779.db2.gz VHYVTTMZFIIAIJ-UPJWGTAASA-N -1 3 285.351 2.092 10 0 CEAEHM CC[C@H](C)c1ccc(NC(=O)[C@H](N)CCC(=O)[O-])cc1 ZINC000085819284 179181644 /nfs/dbraw/zinc/18/16/44/179181644.db2.gz PKBQHUNJUISEDU-GXFFZTMASA-N -1 3 278.352 2.331 10 0 CEAEHM O=S(=O)(Nc1c([O-])cccc1F)N1CCCCCC1 ZINC000608342103 347580583 /nfs/dbraw/zinc/58/05/83/347580583.db2.gz GVPDKGPKGBNIAU-UHFFFAOYSA-N -1 3 288.344 2.064 10 0 CEAEHM C[C@@H](c1ccccc1F)N1CCC(OCC(=O)[O-])CC1 ZINC000086773524 179326507 /nfs/dbraw/zinc/32/65/07/179326507.db2.gz VBHZQRSZZZCMJO-NSHDSACASA-N -1 3 281.327 2.452 10 0 CEAEHM O=C([O-])COC1CCN(Cc2c(F)cccc2F)CC1 ZINC000086773567 179326896 /nfs/dbraw/zinc/32/68/96/179326896.db2.gz OKFVQQBDAOMSGA-UHFFFAOYSA-N -1 3 285.290 2.030 10 0 CEAEHM C[C@@H]1CN(Cc2ccc3c(c2)OCCCO3)C[C@@H]1C(=O)[O-] ZINC000086774791 179327637 /nfs/dbraw/zinc/32/76/37/179327637.db2.gz VXJAANNFJUAMTH-YPMHNXCESA-N -1 3 291.347 2.000 10 0 CEAEHM CC(C)(C)C1CCC(N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000086805669 179338224 /nfs/dbraw/zinc/33/82/24/179338224.db2.gz LXKLPWGTBWGYQR-WXRRBKDZSA-N -1 3 269.385 2.377 10 0 CEAEHM C[C@]1(C(=O)[O-])CCN(Cc2ccc3c(c2)OCCCO3)C1 ZINC000086780149 179330417 /nfs/dbraw/zinc/33/04/17/179330417.db2.gz XPTDCPQTNMHOQX-INIZCTEOSA-N -1 3 291.347 2.145 10 0 CEAEHM O=C([O-])C1CN([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000086811185 179340833 /nfs/dbraw/zinc/34/08/33/179340833.db2.gz WUENUOUKWFGLCT-IUCAKERBSA-N -1 3 251.248 2.124 10 0 CEAEHM CCOC(=O)c1nnc(-c2cc3ccccc3cc2N)[n-]1 ZINC000090711321 180027778 /nfs/dbraw/zinc/02/77/78/180027778.db2.gz QAAFGOAAAWWPNO-UHFFFAOYSA-N -1 3 282.303 2.384 10 0 CEAEHM CCOC(=O)c1nc(-c2cc3ccccc3cc2N)n[n-]1 ZINC000090711321 180027779 /nfs/dbraw/zinc/02/77/79/180027779.db2.gz QAAFGOAAAWWPNO-UHFFFAOYSA-N -1 3 282.303 2.384 10 0 CEAEHM O=C([O-])c1cc(OCCN2CCCCC2)cs1 ZINC000091342521 180137259 /nfs/dbraw/zinc/13/72/59/180137259.db2.gz JSPPWLBOBOFRMC-UHFFFAOYSA-N -1 3 255.339 2.311 10 0 CEAEHM CC(C)n1cncc1[C@@H](CC(=O)[O-])N1CCCCC1 ZINC000091273953 180118552 /nfs/dbraw/zinc/11/85/52/180118552.db2.gz AGIMOMUWXNJABT-GFCCVEGCSA-N -1 3 265.357 2.466 10 0 CEAEHM CC(C)n1cncc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000091274005 180118575 /nfs/dbraw/zinc/11/85/75/180118575.db2.gz RTQZWMCXAFTUIX-GFCCVEGCSA-N -1 3 265.357 2.151 10 0 CEAEHM C[C@H]1Cc2c(OC(F)(F)F)cccc2[C@H](C(=O)[O-])N1 ZINC000091548741 180188349 /nfs/dbraw/zinc/18/83/49/180188349.db2.gz UIQFJWACADZGOS-QUBYGPBYSA-N -1 3 275.226 2.245 10 0 CEAEHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(CC2CC2)CC1 ZINC000091781201 180253958 /nfs/dbraw/zinc/25/39/58/180253958.db2.gz LSVFQBKSEONUGW-NSHDSACASA-N -1 3 278.352 2.066 10 0 CEAEHM CCc1ccc([O-])c(C(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000091731702 180243141 /nfs/dbraw/zinc/24/31/41/180243141.db2.gz LEMPHHOBIZTDSC-GHMZBOCLSA-N -1 3 263.337 2.204 10 0 CEAEHM CN(C(=O)c1ccc([O-])cc1)C1CCC2(CC1)OCCO2 ZINC000091852924 180273102 /nfs/dbraw/zinc/27/31/02/180273102.db2.gz SNQWUYQFDAFVJQ-UHFFFAOYSA-N -1 3 291.347 2.150 10 0 CEAEHM Cc1ccc([O-])c(C[N@H+](CCC(=O)[O-])C(C)(C)C)n1 ZINC000091996670 180301794 /nfs/dbraw/zinc/30/17/94/180301794.db2.gz SCCJATSTMQTBOH-UHFFFAOYSA-N -1 3 266.341 2.171 10 0 CEAEHM Cc1ccc([O-])c(C[N@@H+](CCC(=O)[O-])C(C)(C)C)n1 ZINC000091996670 180301796 /nfs/dbraw/zinc/30/17/96/180301796.db2.gz SCCJATSTMQTBOH-UHFFFAOYSA-N -1 3 266.341 2.171 10 0 CEAEHM C[C@@H]1CN(CC(=O)c2cc(F)ccc2[O-])C[C@H]1C ZINC000092086213 180320510 /nfs/dbraw/zinc/32/05/10/180320510.db2.gz CPUHSUJMHFGTPT-NXEZZACHSA-N -1 3 251.301 2.302 10 0 CEAEHM O=c1[n-]c(=O)n(C[C@@H]2CSc3ccccc32)cc1Cl ZINC000092291738 180358003 /nfs/dbraw/zinc/35/80/03/180358003.db2.gz HGJBFGNKGBNHJC-MRVPVSSYSA-N -1 3 294.763 2.080 10 0 CEAEHM Cc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1CN ZINC000092319553 180361848 /nfs/dbraw/zinc/36/18/48/180361848.db2.gz KAONAWGGCOIYNY-MRVPVSSYSA-N -1 3 272.135 2.291 10 0 CEAEHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(N)c2)ccn1 ZINC000092348808 180367762 /nfs/dbraw/zinc/36/77/62/180367762.db2.gz RJXMJJVOSJJFGK-UHFFFAOYSA-N -1 3 297.767 2.426 10 0 CEAEHM COCCN(Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000109601873 186266285 /nfs/dbraw/zinc/26/62/85/186266285.db2.gz CEZVKCFZONIZBL-UHFFFAOYSA-N -1 3 255.339 2.057 10 0 CEAEHM CCc1nc(-c2ccc3c(c2)CCO3)[n-]c(=O)c1C ZINC000110466218 186297156 /nfs/dbraw/zinc/29/71/56/186297156.db2.gz MGIJLLPZYCVAIT-UHFFFAOYSA-N -1 3 256.305 2.243 10 0 CEAEHM CCCN[C@@H](C(=O)[O-])c1ccc(OC)c(OC)c1Cl ZINC000110830335 186327156 /nfs/dbraw/zinc/32/71/56/186327156.db2.gz MIGDYNCJKYPYBL-LLVKDONJSA-N -1 3 287.743 2.483 10 0 CEAEHM CC(C)(C)S(=O)(=O)[N-]c1cccc(Br)n1 ZINC000110886551 186330869 /nfs/dbraw/zinc/33/08/69/186330869.db2.gz HLMSWAXDHFUMIC-UHFFFAOYSA-N -1 3 293.186 2.384 10 0 CEAEHM O=C([O-])[C@@]1(CN(Cc2ccco2)C2CC2)CCCOC1 ZINC000111330712 186399804 /nfs/dbraw/zinc/39/98/04/186399804.db2.gz UPIGHXKIKLTAJF-OAHLLOKOSA-N -1 3 279.336 2.125 10 0 CEAEHM COc1ccc(C(=O)N[C@@H]2COc3ccccc32)c([O-])c1 ZINC000070199038 363054708 /nfs/dbraw/zinc/05/47/08/363054708.db2.gz CTHIIXAWLMDLOK-CYBMUJFWSA-N -1 3 285.299 2.264 10 0 CEAEHM CCOC(=O)Cc1ccc(N)c(C(F)(F)F)c1[O-] ZINC000575724361 366346453 /nfs/dbraw/zinc/34/64/53/366346453.db2.gz CSJZKKFGZBFRQC-UHFFFAOYSA-N -1 3 263.215 2.099 10 0 CEAEHM CCCCCC[C@@H]([C@H](C)O)n1cnc2c1nc[n-]c2=O ZINC000033606549 540490935 /nfs/dbraw/zinc/49/09/35/540490935.db2.gz RSMDQPNZAPMDJC-QWRGUYRKSA-N -1 3 278.356 2.012 10 0 CEAEHM Cc1nc(C(Cl)(Cl)Cl)[n-]c(=NN)c1F ZINC000685959441 540658329 /nfs/dbraw/zinc/65/83/29/540658329.db2.gz NZJDXDMUSZUUEI-UHFFFAOYSA-N -1 3 259.499 2.036 10 0 CEAEHM Cc1[n-]c(C(Cl)(Cl)Cl)nc(=NN)c1F ZINC000685959441 540658331 /nfs/dbraw/zinc/65/83/31/540658331.db2.gz NZJDXDMUSZUUEI-UHFFFAOYSA-N -1 3 259.499 2.036 10 0 CEAEHM Nc1cccc(-c2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000019294371 283674177 /nfs/dbraw/zinc/67/41/77/283674177.db2.gz NENGCZCLJVDGJE-UHFFFAOYSA-N -1 3 255.199 2.450 10 0 CEAEHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2)o1 ZINC000301757759 201179483 /nfs/dbraw/zinc/17/94/83/201179483.db2.gz JLXPAHCLSRAGLJ-VIFPVBQESA-N -1 3 284.312 2.162 10 0 CEAEHM CC[C@@H](C)Cc1nc2c(CC(C)C)[nH]nc2c(=O)[n-]1 ZINC000089212120 363949684 /nfs/dbraw/zinc/94/96/84/363949684.db2.gz QQWDYODYUPBKLP-SECBINFHSA-N -1 3 262.357 2.433 10 0 CEAEHM Cc1cccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000116113089 365037404 /nfs/dbraw/zinc/03/74/04/365037404.db2.gz IJZWDCCBBUAPFN-GFCCVEGCSA-N -1 3 285.347 2.064 10 0 CEAEHM CC1(C)CCCN(Cc2oncc2C(=O)[O-])CC1 ZINC000385075814 375225893 /nfs/dbraw/zinc/22/58/93/375225893.db2.gz IZNIQCKNUMIOLH-UHFFFAOYSA-N -1 3 252.314 2.385 10 0 CEAEHM C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000190082582 542333954 /nfs/dbraw/zinc/33/39/54/542333954.db2.gz PVMSNDCUYKCERF-SCZZXKLOSA-N -1 3 253.273 2.285 10 0 CEAEHM O=C1[N-]c2c(ccc(Cl)c2Br)C1=O ZINC000236046610 296399401 /nfs/dbraw/zinc/39/94/01/296399401.db2.gz KFXJFQACJAIWMJ-UHFFFAOYSA-N -1 3 260.474 2.237 10 0 CEAEHM CC[C@@](C)(N)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000094233841 184767361 /nfs/dbraw/zinc/76/73/61/184767361.db2.gz FQTBSKNJAHWRMB-GFCCVEGCSA-N -1 3 270.716 2.104 10 0 CEAEHM Cc1nc(-c2ccc(C3CC3)cc2)[n-]c(=O)c1CCO ZINC000094522446 184813682 /nfs/dbraw/zinc/81/36/82/184813682.db2.gz IYECEOPXBFCTRQ-UHFFFAOYSA-N -1 3 270.332 2.158 10 0 CEAEHM C[C@H]1CC(CNC(=O)c2cccc([O-])c2)C[C@H](C)O1 ZINC000281685978 195336354 /nfs/dbraw/zinc/33/63/54/195336354.db2.gz PQEPYUXSMAKTCT-QWRGUYRKSA-N -1 3 263.337 2.326 10 0 CEAEHM CC(C)C1(CNS(=O)(=O)c2ccc([O-])cc2)CC1 ZINC000232709863 153415688 /nfs/dbraw/zinc/41/56/88/153415688.db2.gz SRROIFPCLFAIHP-UHFFFAOYSA-N -1 3 269.366 2.107 10 0 CEAEHM Cc1[nH]c2c(C(=O)[O-])cccc2c(=O)c1CN(C)C ZINC000008713870 170348436 /nfs/dbraw/zinc/34/84/36/170348436.db2.gz WHFASWCKGNFAJS-UHFFFAOYSA-N -1 3 260.293 2.009 10 0 CEAEHM Cc1ccc(CN)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000020189543 171055259 /nfs/dbraw/zinc/05/52/59/171055259.db2.gz CQEQZNIVWMALDK-UHFFFAOYSA-N -1 3 294.351 2.394 10 0 CEAEHM COc1ccc(Br)cc1[C@H](N)CCC(=O)[O-] ZINC000020586991 171259535 /nfs/dbraw/zinc/25/95/35/171259535.db2.gz JDCQGHBOSWWUQY-SECBINFHSA-N -1 3 288.141 2.322 10 0 CEAEHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NN)cc2)c1 ZINC000035354456 172145681 /nfs/dbraw/zinc/14/56/81/172145681.db2.gz KOENOTQNPLZWEP-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM CC(C)[C@@H](NCc1cc(-c2ccco2)on1)C(=O)[O-] ZINC000035391244 172175278 /nfs/dbraw/zinc/17/52/78/172175278.db2.gz XMHDGTDFZXSWHU-GFCCVEGCSA-N -1 3 264.281 2.133 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000037046817 172914055 /nfs/dbraw/zinc/91/40/55/172914055.db2.gz ZHZGJNAYZVGRGP-PELKAZGASA-N -1 3 264.325 2.005 10 0 CEAEHM CCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000040471600 174279853 /nfs/dbraw/zinc/27/98/53/174279853.db2.gz CCGGKBPHKORBAS-SECBINFHSA-N -1 3 270.716 2.104 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000040471579 174280146 /nfs/dbraw/zinc/28/01/46/174280146.db2.gz JULKVSDRLQGWQN-HQJQHLMTSA-N -1 3 284.743 2.350 10 0 CEAEHM CCC[C@@](C)(N)C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC000040481473 174285206 /nfs/dbraw/zinc/28/52/06/174285206.db2.gz HQLKZTCYOVZECS-XGTXGMFGSA-N -1 3 284.400 2.044 10 0 CEAEHM CCCO[C@H]1CCCN(C(=O)c2ccc([O-])cc2)C1 ZINC000042425313 174725344 /nfs/dbraw/zinc/72/53/44/174725344.db2.gz QQHJQBULJXRHJV-AWEZNQCLSA-N -1 3 263.337 2.423 10 0 CEAEHM Cc1cc(=O)n(C[C@H](C)N2CCCCC2)c(C)c1C(=O)[O-] ZINC000045007943 175288633 /nfs/dbraw/zinc/28/86/33/175288633.db2.gz XLOFENOIYZOICW-LBPRGKRZSA-N -1 3 292.379 2.038 10 0 CEAEHM Cc1noc(CNc2c(C(=O)[O-])cnc3ccccc32)n1 ZINC000045010860 175289774 /nfs/dbraw/zinc/28/97/74/175289774.db2.gz FRUWNQARQBKTON-UHFFFAOYSA-N -1 3 284.275 2.237 10 0 CEAEHM [O-]c1ccc(CNCc2ncc[nH]2)cc1Br ZINC000070819583 176007388 /nfs/dbraw/zinc/00/73/88/176007388.db2.gz MWTAPINCQAZACO-UHFFFAOYSA-N -1 3 282.141 2.168 10 0 CEAEHM Cc1ccc([N-]S(=O)(=O)c2c[nH]ccc2=O)cc1Cl ZINC000071221146 176087014 /nfs/dbraw/zinc/08/70/14/176087014.db2.gz DYCADICJQXSJPX-UHFFFAOYSA-N -1 3 298.751 2.138 10 0 CEAEHM Cc1nc(SCCN2CCCC2)sc1C(=O)[O-] ZINC000071301558 176113957 /nfs/dbraw/zinc/11/39/57/176113957.db2.gz MHQIURXOPGFQQX-UHFFFAOYSA-N -1 3 272.395 2.338 10 0 CEAEHM CC[C@H](C)NCC(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392007 176148830 /nfs/dbraw/zinc/14/88/30/176148830.db2.gz UBTKRTLKIBBNEN-QMMMGPOBSA-N -1 3 284.743 2.365 10 0 CEAEHM N[C@H](C(=O)[O-])c1cc(Cl)ccc1Br ZINC000072196816 176339097 /nfs/dbraw/zinc/33/90/97/176339097.db2.gz HPPVHSDYOWRCSS-ZETCQYMHSA-N -1 3 264.506 2.187 10 0 CEAEHM COc1cc([C@@H](NC(C)C)C(=O)[O-])c(OC)cc1C ZINC000076376680 177011811 /nfs/dbraw/zinc/01/18/11/177011811.db2.gz POLMQHHOUMFWQS-CYBMUJFWSA-N -1 3 267.325 2.136 10 0 CEAEHM COc1ccc(C(=O)N[C@H](C)c2ncc(C)o2)c([O-])c1 ZINC000226614209 263345123 /nfs/dbraw/zinc/34/51/23/263345123.db2.gz VQXYTGWJUXBOLF-SECBINFHSA-N -1 3 276.292 2.188 10 0 CEAEHM CCc1ccc(C(=O)N2[C@@H](C)COC[C@@H]2C)c([O-])c1 ZINC000191749292 281399835 /nfs/dbraw/zinc/39/98/35/281399835.db2.gz JEDZFQNJNYCTNY-QWRGUYRKSA-N -1 3 263.337 2.204 10 0 CEAEHM Cc1cc(C)c(C(=O)[O-])c(N[C@H](C)[C@@H]2CCCO2)n1 ZINC000038010229 301172562 /nfs/dbraw/zinc/17/25/62/301172562.db2.gz RQRXFCGTELBREP-MNOVXSKESA-N -1 3 264.325 2.376 10 0 CEAEHM CC(C)(C)[C@@H]1CC[C@@H](C(=O)[O-])[C@H](N2CCOCC2)C1 ZINC000062750056 518943743 /nfs/dbraw/zinc/94/37/43/518943743.db2.gz NTGXYBBKNPPLED-JHJVBQTASA-N -1 3 269.385 2.234 10 0 CEAEHM CC(C)OCCCNc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000057342510 519764878 /nfs/dbraw/zinc/76/48/78/519764878.db2.gz VWGHURQYDBYZAF-UHFFFAOYSA-N -1 3 279.262 2.016 10 0 CEAEHM CCNC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000061297724 519906250 /nfs/dbraw/zinc/90/62/50/519906250.db2.gz MPFSVLNJDUTTNP-UHFFFAOYSA-N -1 3 284.743 2.365 10 0 CEAEHM CCN[C@@H](C)c1cccc(S(=O)(=O)[N-]c2ccon2)c1 ZINC000061685617 520078253 /nfs/dbraw/zinc/07/82/53/520078253.db2.gz TWJPVPMAVKILOK-JTQLQIEISA-N -1 3 295.364 2.146 10 0 CEAEHM CCN(CC(=O)N[C@@H](C)CCC(C)C)[C@@H](C)CC(=O)[O-] ZINC000061182357 520341324 /nfs/dbraw/zinc/34/13/24/520341324.db2.gz 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/nfs/dbraw/zinc/13/02/20/522130220.db2.gz LYCBZVHOWGNWPK-UONOGXRCSA-N -1 3 290.363 2.236 10 0 CEAEHM CC[C@H](C)N1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000062756684 523955785 /nfs/dbraw/zinc/95/57/85/523955785.db2.gz RIXPNIKUECPHRK-LBPRGKRZSA-N -1 3 294.370 2.440 10 0 CEAEHM Cc1ccc(N[C@@H]2CCN(C3CC3)C2)c(C(=O)[O-])c1 ZINC000052984130 525314276 /nfs/dbraw/zinc/31/42/76/525314276.db2.gz IKDFHRZIJLELDE-LLVKDONJSA-N -1 3 260.337 2.342 10 0 CEAEHM Cc1cc(=O)[n-]c(Cc2ccc(F)cc2Cl)n1 ZINC000062607069 526119873 /nfs/dbraw/zinc/11/98/73/526119873.db2.gz MTBDYKSRCAULSK-UHFFFAOYSA-N -1 3 252.676 2.462 10 0 CEAEHM O=C([O-])c1cc2c(nc1NCCN1CCCCC1)CCC2 ZINC000054530421 526356571 /nfs/dbraw/zinc/35/65/71/526356571.db2.gz MUWQOKXZUSTTNR-UHFFFAOYSA-N -1 3 289.379 2.166 10 0 CEAEHM O=C([O-])c1sc2ccccc2c1CN1CC[C@@H](O)C1 ZINC000061710744 526413367 /nfs/dbraw/zinc/41/33/67/526413367.db2.gz UVGYPADDRHUBCM-SECBINFHSA-N -1 3 277.345 2.166 10 0 CEAEHM O=C(NC[C@@H]1Cc2ccccc2O1)c1ccc([O-])cc1 ZINC000051087458 526562299 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CCC[C@H]1CCC[C@@H](N2CCN(CC(=O)[O-])CC2)CC1 ZINC000086953050 179368863 /nfs/dbraw/zinc/36/88/63/179368863.db2.gz OIPQJVDCTFDANK-LSDHHAIUSA-N -1 3 282.428 2.438 10 0 CEAEHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(CNCC)o1 ZINC000088542539 179620639 /nfs/dbraw/zinc/62/06/39/179620639.db2.gz OPDDINCSEFAPPE-NSHDSACASA-N -1 3 288.413 2.246 10 0 CEAEHM CCn1nc(C)cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000089187932 179747375 /nfs/dbraw/zinc/74/73/75/179747375.db2.gz INCDYRNORPKOFO-UHFFFAOYSA-N -1 3 279.384 2.288 10 0 CEAEHM CCn1nc(C)cc1CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000089187887 179747582 /nfs/dbraw/zinc/74/75/82/179747582.db2.gz PMZUSVJIQWQIKO-CYBMUJFWSA-N -1 3 279.384 2.288 10 0 CEAEHM CC[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000090639607 180017340 /nfs/dbraw/zinc/01/73/40/180017340.db2.gz YKMTURGVRWHZCD-QMMMGPOBSA-N -1 3 290.241 2.079 10 0 CEAEHM O=C([O-])C1CCN(C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090899497 180057834 /nfs/dbraw/zinc/05/78/34/180057834.db2.gz AUUMLEQNCLLAAK-CYBMUJFWSA-N -1 3 295.766 2.440 10 0 CEAEHM O=C([O-])C[C@H]1CSCCN1[C@@H]1CCOc2ccccc21 ZINC000091133464 180101729 /nfs/dbraw/zinc/10/17/29/180101729.db2.gz RIGBARVZHMYQJD-WCQYABFASA-N -1 3 293.388 2.402 10 0 CEAEHM CN(CC1CC(O)C1)c1c(C(=O)[O-])cnc2ccccc21 ZINC000091460102 180161427 /nfs/dbraw/zinc/16/14/27/180161427.db2.gz MUPXSMJFJMMVBD-UHFFFAOYSA-N -1 3 286.331 2.140 10 0 CEAEHM COc1ccc([O-])c(C(=O)N2Cc3ccc(N)cc3C2)c1 ZINC000091501191 180174712 /nfs/dbraw/zinc/17/47/12/180174712.db2.gz FYTWFOGDZGBYJE-UHFFFAOYSA-N -1 3 284.315 2.139 10 0 CEAEHM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(NN)cc2)c1 ZINC000091516473 180177522 /nfs/dbraw/zinc/17/75/22/180177522.db2.gz NMONXMGVULAXIS-UHFFFAOYSA-N -1 3 295.339 2.221 10 0 CEAEHM CC[C@@H]1Cc2cc(F)c(F)c(F)c2[C@@H](C(=O)[O-])N1 ZINC000091547023 180187414 /nfs/dbraw/zinc/18/74/14/180187414.db2.gz KSVWNRGEUOFKBG-KBUNVGBDSA-N -1 3 259.227 2.154 10 0 CEAEHM COC[C@@H](C)N(C)Cc1cccc(/C=C\C(=O)[O-])c1 ZINC000105220763 186047325 /nfs/dbraw/zinc/04/73/25/186047325.db2.gz AINSWMJPGNFINV-QDZRJHCZSA-N 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289.331 2.156 10 0 CEAEHM CSCC[C@H](C)N(C)S(=O)(=O)c1ccc([O-])cc1 ZINC000161729676 525566268 /nfs/dbraw/zinc/56/62/68/525566268.db2.gz VAVCMLRICHZOCT-JTQLQIEISA-N -1 3 289.422 2.154 10 0 CEAEHM Cc1cc(=O)[nH]nc1-c1cc(Br)ccc1[O-] ZINC000054930852 526124553 /nfs/dbraw/zinc/12/45/53/526124553.db2.gz GNCHIYISZRGYEX-UHFFFAOYSA-N -1 3 281.109 2.213 10 0 CEAEHM O=C([O-])[C@@H]1CCS[C@H](CCc2ccccc2)N1 ZINC000061624422 526280508 /nfs/dbraw/zinc/28/05/08/526280508.db2.gz VICSKIPERVRYQT-NWDGAFQWSA-N -1 3 251.351 2.125 10 0 CEAEHM O=C([O-])[C@H](NCc1csc(-c2ccco2)n1)C1CC1 ZINC000054523022 526313849 /nfs/dbraw/zinc/31/38/49/526313849.db2.gz YITVTJGEQOZWCF-LLVKDONJSA-N -1 3 278.333 2.356 10 0 CEAEHM O=C([O-])[C@H]1CCC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000062756391 526325692 /nfs/dbraw/zinc/32/56/92/526325692.db2.gz RRBSAYJXRMUNPQ-GXTWGEPZSA-N -1 3 292.354 2.201 10 0 CEAEHM O=C(CC1(C(=O)[O-])CCCCC1)NCCN1CCCCC1 ZINC000049575066 526328549 /nfs/dbraw/zinc/32/85/49/526328549.db2.gz AEECISKBXCUEEA-UHFFFAOYSA-N -1 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/nfs/dbraw/zinc/25/37/06/180253706.db2.gz YSECGSQPAIEJPA-NSHDSACASA-N -1 3 268.357 2.312 10 0 CEAEHM Cc1cccc([O-])c1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000624298241 350255012 /nfs/dbraw/zinc/25/50/12/350255012.db2.gz OGKNXPUGVUKQLX-JSGCOSHPSA-N -1 3 275.348 2.484 10 0 CEAEHM Cc1ccc([O-])c(CNc2cccc(C(N)=O)c2C)n1 ZINC000091993943 180300930 /nfs/dbraw/zinc/30/09/30/180300930.db2.gz KDQPCQBMEAKOQV-UHFFFAOYSA-N -1 3 271.320 2.115 10 0 CEAEHM Cc1ccc([O-])c(CNc2cccc(S(C)(=O)=O)c2)n1 ZINC000091994586 180301029 /nfs/dbraw/zinc/30/10/29/180301029.db2.gz HPLWYGAZQTVGTR-UHFFFAOYSA-N -1 3 292.360 2.111 10 0 CEAEHM O=C([O-])CC1CN(C[C@H]2CSc3ccccc32)C1 ZINC000092290120 180357768 /nfs/dbraw/zinc/35/77/68/180357768.db2.gz GWDNDZPVLPWIAR-NSHDSACASA-N -1 3 263.362 2.282 10 0 CEAEHM Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1c(C)nc(C)[n-]c1=O ZINC000092327706 180363064 /nfs/dbraw/zinc/36/30/64/180363064.db2.gz NWDLVCOCGCRJCO-SFYZADRCSA-N -1 3 290.367 2.403 10 0 CEAEHM Cc1ccc(NC(=O)CNC(C)(C)C)c(C(=O)[O-])c1 ZINC000092460922 180389551 /nfs/dbraw/zinc/38/95/51/180389551.db2.gz UJERKMAVFKTRED-UHFFFAOYSA-N -1 3 264.325 2.020 10 0 CEAEHM O=C([O-])C1CCC(OCCN2CCCCC2)CC1 ZINC000108246539 186209084 /nfs/dbraw/zinc/20/90/84/186209084.db2.gz INKIWKORRJTQRU-UHFFFAOYSA-N -1 3 255.358 2.132 10 0 CEAEHM O=c1[n-]c(-c2ccc(O)cc2)nc2c1CCCCC2 ZINC000109521510 186258806 /nfs/dbraw/zinc/25/88/06/186258806.db2.gz POYANXCYYMRDOU-UHFFFAOYSA-N -1 3 256.305 2.411 10 0 CEAEHM O=c1cc(C(F)F)[n-]n1CCCc1ccccc1 ZINC000109351637 186249796 /nfs/dbraw/zinc/24/97/96/186249796.db2.gz QIMQXTNBRPOOSX-UHFFFAOYSA-N -1 3 252.264 2.473 10 0 CEAEHM Cc1c(N)nc(Cc2ccc(F)cc2Cl)[n-]c1=O ZINC000110472560 186298123 /nfs/dbraw/zinc/29/81/23/186298123.db2.gz XKIUIMGCTVPAQM-UHFFFAOYSA-N -1 3 267.691 2.044 10 0 CEAEHM CC[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])CCN1C ZINC000110760781 186323434 /nfs/dbraw/zinc/32/34/34/186323434.db2.gz SZXJUSNQXXTLKQ-ZDUSSCGKSA-N -1 3 280.343 2.050 10 0 CEAEHM CN(C)CCN(C)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000111152566 186360914 /nfs/dbraw/zinc/36/09/14/186360914.db2.gz CROZROLNERGJOP-UHFFFAOYSA-N -1 3 256.733 2.036 10 0 CEAEHM Cc1c(C(F)(F)F)nc(-c2ccc(N)cc2)[n-]c1=O ZINC000111308136 186394575 /nfs/dbraw/zinc/39/45/75/186394575.db2.gz VTHIYDPEECBXRL-UHFFFAOYSA-N -1 3 269.226 2.346 10 0 CEAEHM COC(=O)c1ccc([N-]S(=O)(=O)CCC(C)C)cc1 ZINC000111609535 186432238 /nfs/dbraw/zinc/43/22/38/186432238.db2.gz QPDVVPARGCEMOH-UHFFFAOYSA-N -1 3 285.365 2.261 10 0 CEAEHM Cc1ccc([O-])c(C(=O)N2CCC(c3ccnn3C)CC2)c1 ZINC000131899421 366097046 /nfs/dbraw/zinc/09/70/46/366097046.db2.gz IEJMYILJRSNMLW-UHFFFAOYSA-N -1 3 299.374 2.454 10 0 CEAEHM C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([O-])cc1 ZINC000037296516 290405835 /nfs/dbraw/zinc/40/58/35/290405835.db2.gz YDBWMKJWNHWYIE-GWCFXTLKSA-N -1 3 269.366 2.249 10 0 CEAEHM COC(=O)Cc1c([O-])ccc(F)c1C(F)(F)F ZINC000575713477 366340091 /nfs/dbraw/zinc/34/00/91/366340091.db2.gz BJQBYRDKPJVDFS-UHFFFAOYSA-N -1 3 252.163 2.266 10 0 CEAEHM O=c1ccc(S(=O)(=O)c2cccc3ccccc32)n[n-]1 ZINC000012343961 361379065 /nfs/dbraw/zinc/37/90/65/361379065.db2.gz HJXKXDILPXEWJY-UHFFFAOYSA-N -1 3 286.312 2.168 10 0 in-vivo CEAEHM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1cscc1Br ZINC000632629322 367860228 /nfs/dbraw/zinc/86/02/28/367860228.db2.gz PUYZMYLZBMKGRX-VDTYLAMSSA-N -1 3 296.211 2.197 10 0 CEAEHM O=C(c1cccc2[n-]nnc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000187966901 369264360 /nfs/dbraw/zinc/26/43/60/369264360.db2.gz JASWRCVGPFLMHN-ZDUSSCGKSA-N -1 3 296.334 2.048 10 0 CEAEHM O=C(c1cccc2nn[n-]c21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000187966901 369264366 /nfs/dbraw/zinc/26/43/66/369264366.db2.gz JASWRCVGPFLMHN-ZDUSSCGKSA-N -1 3 296.334 2.048 10 0 CEAEHM O=C(c1cccc2n[n-]nc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000187966901 369264373 /nfs/dbraw/zinc/26/43/73/369264373.db2.gz JASWRCVGPFLMHN-ZDUSSCGKSA-N -1 3 296.334 2.048 10 0 CEAEHM Cc1ccc(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)c([O-])c1 ZINC000227703752 394473416 /nfs/dbraw/zinc/47/34/16/394473416.db2.gz KDVUJBSDAZEBGK-ZIAGYGMSSA-N -1 3 288.391 2.399 10 0 CEAEHM [O-]c1cccc(CN[C@H]2CCC[C@@H](O)C2)c1Cl ZINC000328254871 394551277 /nfs/dbraw/zinc/55/12/77/394551277.db2.gz UAEDMEUCNVBYOJ-WDEREUQCSA-N -1 3 255.745 2.439 10 0 CEAEHM O=S(=O)([N-]CC[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000029873758 400107005 /nfs/dbraw/zinc/10/70/05/400107005.db2.gz REZZOIDEJFDZIN-QMMMGPOBSA-N -1 3 295.813 2.249 10 0 CEAEHM O=C(c1cc2ccccc2cc1[O-])N1CCN2CCC[C@H]2C1 ZINC000195313800 153280030 /nfs/dbraw/zinc/28/00/30/153280030.db2.gz NXYUGURXZOYPIH-HNNXBMFYSA-N -1 3 296.370 2.466 10 0 CEAEHM Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1CN(C)C ZINC000008713935 170348667 /nfs/dbraw/zinc/34/86/67/170348667.db2.gz PSSBUKIJNLKCMD-UHFFFAOYSA-N -1 3 260.293 2.009 10 0 CEAEHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(CN)c1 ZINC000022216463 171375833 /nfs/dbraw/zinc/37/58/33/171375833.db2.gz SCNUKKBJWXAAAX-UHFFFAOYSA-N -1 3 294.351 2.394 10 0 CEAEHM C[C@H](NCc1coc(-c2cccc(F)c2)n1)C(=O)[O-] ZINC000035387288 172169782 /nfs/dbraw/zinc/16/97/82/172169782.db2.gz LRSMQHLDHNMQEG-QMMMGPOBSA-N -1 3 264.256 2.043 10 0 CEAEHM C[C@H]([N-]S(=O)(=O)c1cnc(Cl)s1)c1ccco1 ZINC000035739424 172393365 /nfs/dbraw/zinc/39/33/65/172393365.db2.gz SJZOWQBHRZUUMU-LURJTMIESA-N -1 3 292.769 2.429 10 0 CEAEHM C[C@H]1CCCN(CC(=O)c2cc(F)ccc2[O-])C1 ZINC000037332611 173133778 /nfs/dbraw/zinc/13/37/78/173133778.db2.gz OFCPAZOEMABAGY-JTQLQIEISA-N -1 3 251.301 2.446 10 0 CEAEHM C[C@@](C(=O)[O-])(c1ccc(F)c(F)c1)N1CCCC1 ZINC000037359652 173149520 /nfs/dbraw/zinc/14/95/20/173149520.db2.gz RFFGDUXBPZKITA-ZDUSSCGKSA-N -1 3 255.264 2.360 10 0 CEAEHM O=C([O-])C[C@@H]1CCCCN1CC(=O)N1CCCCCCC1 ZINC000038027873 174015042 /nfs/dbraw/zinc/01/50/42/174015042.db2.gz PTNZGQMJWGHCHG-AWEZNQCLSA-N -1 3 296.411 2.108 10 0 CEAEHM COc1cccc2c(=O)c(C(=O)NCc3ccco3)c[n-]c12 ZINC000039962852 174179747 /nfs/dbraw/zinc/17/97/47/174179747.db2.gz NBWFRTFPOYYUMN-UHFFFAOYSA-N -1 3 298.298 2.060 10 0 CEAEHM CCC[C@@](C)(N)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000040484997 174288648 /nfs/dbraw/zinc/28/86/48/174288648.db2.gz HLVTZQVKWFKLPS-XJKSGUPXSA-N -1 3 292.379 2.226 10 0 CEAEHM Cc1nc(C)c([C@H](C)Nc2ccc(CCO)cc2)c(=O)[n-]1 ZINC000040738954 174390070 /nfs/dbraw/zinc/39/00/70/174390070.db2.gz RYXZAXMAFIJCFT-NSHDSACASA-N -1 3 287.363 2.095 10 0 CEAEHM CC(C)[C@](C)(CC(=O)NCCN1CCCCCC1)C(=O)[O-] ZINC000040767986 174398457 /nfs/dbraw/zinc/39/84/57/174398457.db2.gz STTCSLFRGFSQLM-INIZCTEOSA-N -1 3 298.427 2.116 10 0 CEAEHM COc1cc(NC(=O)c2ccc([O-])cc2)ccc1N ZINC000040769688 174399632 /nfs/dbraw/zinc/39/96/32/174399632.db2.gz QCJRKEWLUWQMTQ-UHFFFAOYSA-N -1 3 258.277 2.235 10 0 CEAEHM c1cc(N[C@H]2C[C@H]3CC[C@@H]2C3)cc(-c2nnn[n-]2)c1 ZINC000041092740 174477985 /nfs/dbraw/zinc/47/79/85/174477985.db2.gz MERONCJDNNHRST-CWSCBRNRSA-N -1 3 255.325 2.467 10 0 CEAEHM c1cc(N[C@H]2C[C@H]3CC[C@@H]2C3)cc(-c2nn[n-]n2)c1 ZINC000041092740 174477987 /nfs/dbraw/zinc/47/79/87/174477987.db2.gz MERONCJDNNHRST-CWSCBRNRSA-N -1 3 255.325 2.467 10 0 CEAEHM COc1ccc([O-])c(C(=O)Nc2ccccc2N)c1 ZINC000043327704 175009725 /nfs/dbraw/zinc/00/97/25/175009725.db2.gz PBIJRNMYRMIVDS-UHFFFAOYSA-N -1 3 258.277 2.235 10 0 CEAEHM CCCC[C@@H](NCc1nn[n-]n1)c1ccc(F)cc1 ZINC000044928126 175278352 /nfs/dbraw/zinc/27/83/52/175278352.db2.gz KYOUMBOVXGLRMG-GFCCVEGCSA-N -1 3 263.320 2.360 10 0 CEAEHM Clc1ccc([C@H](NCc2nn[n-]n2)C2CC2)cc1 ZINC000044928941 175278820 /nfs/dbraw/zinc/27/88/20/175278820.db2.gz PMYNSHGFGCDJJS-GFCCVEGCSA-N -1 3 263.732 2.094 10 0 CEAEHM CCN(CCC(=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000071092055 176031919 /nfs/dbraw/zinc/03/19/19/176031919.db2.gz ZEWCQHIZRDKGEC-CQSZACIVSA-N -1 3 263.337 2.097 10 0 CEAEHM O=S(=O)([N-]Cc1cccs1)c1cnccc1Cl ZINC000071203540 176078558 /nfs/dbraw/zinc/07/85/58/176078558.db2.gz SFROHXBOMRIHQV-UHFFFAOYSA-N -1 3 288.781 2.275 10 0 CEAEHM O=C([O-])c1ccc(CN[C@H]2CCC[C@@H]2n2ccnc2)o1 ZINC000071381261 176144764 /nfs/dbraw/zinc/14/47/64/176144764.db2.gz BPTNWFAYZOGWMK-RYUDHWBXSA-N -1 3 275.308 2.058 10 0 CEAEHM O=c1cc(-c2ccccc2)nc([C@H]2CCCCN2)[n-]1 ZINC000071396343 176150397 /nfs/dbraw/zinc/15/03/97/176150397.db2.gz ADJLOJUEZGJZGB-GFCCVEGCSA-N -1 3 255.321 2.252 10 0 CEAEHM CCCCS(=O)(=O)[N-]c1ccc2ocnc2c1 ZINC000074837965 176622129 /nfs/dbraw/zinc/62/21/29/176622129.db2.gz FGAKPHKPXPLBLO-UHFFFAOYSA-N -1 3 254.311 2.370 10 0 CEAEHM C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000189856775 270265369 /nfs/dbraw/zinc/26/53/69/270265369.db2.gz YLQBPKFYLAHRHM-DTWKUNHWSA-N -1 3 253.273 2.285 10 0 CEAEHM CCC[C@H](C(=O)[N-]OCc1ccc(F)cc1)N(C)C ZINC000184169436 520982059 /nfs/dbraw/zinc/98/20/59/520982059.db2.gz FHNLNURCLOKDRL-CYBMUJFWSA-N -1 3 268.332 2.104 10 0 CEAEHM CC(C)COC[C@@](NC1CC1)(C(=O)[O-])c1ccccc1 ZINC000045501758 519756991 /nfs/dbraw/zinc/75/69/91/519756991.db2.gz MRCSKIOTHAIYII-INIZCTEOSA-N -1 3 277.364 2.391 10 0 CEAEHM CC(C)[C@H]1CCN(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC000160982180 519825454 /nfs/dbraw/zinc/82/54/54/519825454.db2.gz JKMDPISGRCTPKS-NSHDSACASA-N -1 3 269.366 2.059 10 0 CEAEHM CCN(CC(=O)NCCC1=CCCCC1)[C@H](C)CC(=O)[O-] ZINC000061182934 520331500 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ZINC000079711376 177541849 /nfs/dbraw/zinc/54/18/49/177541849.db2.gz RUPNQFCKWLODGL-SECBINFHSA-N -1 3 290.360 2.034 10 0 CEAEHM CCCCC[C@H](C)NC(=O)CN(CC)C[C@@H](C)C(=O)[O-] ZINC000061218410 520300582 /nfs/dbraw/zinc/30/05/82/520300582.db2.gz BJPBBIIFUQGXQR-OLZOCXBDSA-N -1 3 286.416 2.114 10 0 CEAEHM CCO[C@H](CN(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000062755918 520515024 /nfs/dbraw/zinc/51/50/24/520515024.db2.gz DNAUKHXRGFDYCF-GFCCVEGCSA-N -1 3 271.744 2.262 10 0 CEAEHM CC(C)C[C@H](C[NH2+]Cc1cc([O-])cc(F)c1)C(=O)[O-] ZINC000263030396 519351780 /nfs/dbraw/zinc/35/17/80/519351780.db2.gz GXUOWAHZQWYGOO-LLVKDONJSA-N -1 3 269.316 2.368 10 0 CEAEHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(CN)s1 ZINC000069235024 519682235 /nfs/dbraw/zinc/68/22/35/519682235.db2.gz YAWGFNYTFBEFJK-SNVBAGLBSA-N -1 3 290.454 2.310 10 0 CEAEHM CCNc1ccc(Cl)c(C(=O)[N-]c2cnoc2)n1 ZINC000061686017 520306570 /nfs/dbraw/zinc/30/65/70/520306570.db2.gz CZFGLYQBUCLSGX-UHFFFAOYSA-N -1 3 266.688 2.407 10 0 CEAEHM CCN(CC(=O)Nc1cccc(C)c1C)[C@@H](C)CC(=O)[O-] ZINC000061183536 520364157 /nfs/dbraw/zinc/36/41/57/520364157.db2.gz XYFCXMBUVMCWKI-LBPRGKRZSA-N -1 3 292.379 2.427 10 0 CEAEHM COCc1cc(=O)[n-]c(C2(c3ccccc3)CCC2)n1 ZINC000062780402 522903551 /nfs/dbraw/zinc/90/35/51/522903551.db2.gz TUUQPDQUMUCRQH-UHFFFAOYSA-N -1 3 270.332 2.386 10 0 CEAEHM Cc1ccc(C(=O)[O-])c(N[C@H](C)CN2CCCCC2)n1 ZINC000054532235 526233182 /nfs/dbraw/zinc/23/31/82/526233182.db2.gz KSHREHAIYMSRDW-GFCCVEGCSA-N -1 3 277.368 2.375 10 0 CEAEHM O=C([O-])c1ccc(OCCN2CCCCC2)c(F)c1 ZINC000054553590 526380409 /nfs/dbraw/zinc/38/04/09/526380409.db2.gz SRTJUEPVCGIDRG-UHFFFAOYSA-N -1 3 267.300 2.389 10 0 CEAEHM O=C([O-])c1cccn1C1CCN(Cc2ccncc2)CC1 ZINC000054442109 526398671 /nfs/dbraw/zinc/39/86/71/526398671.db2.gz IEAKOMFBQQULGJ-UHFFFAOYSA-N -1 3 285.347 2.418 10 0 CEAEHM O=c1ccn([C@H]2CCOc3ccccc32)c(=S)[n-]1 ZINC000052312985 527492160 /nfs/dbraw/zinc/49/21/60/527492160.db2.gz VVWLTESHNZCIGW-JTQLQIEISA-N -1 3 260.318 2.278 10 0 CEAEHM Nc1n[n-]c(-c2nc(-c3ccc4ccccc4c3)no2)n1 ZINC000055169997 527542004 /nfs/dbraw/zinc/54/20/04/527542004.db2.gz VOKUQNPKVWNECW-UHFFFAOYSA-N -1 3 278.275 2.257 10 0 CEAEHM Nc1nnc(-c2nc(-c3ccc4ccccc4c3)no2)[n-]1 ZINC000055169997 527542008 /nfs/dbraw/zinc/54/20/08/527542008.db2.gz VOKUQNPKVWNECW-UHFFFAOYSA-N -1 3 278.275 2.257 10 0 CEAEHM Nc1nc(-c2nc(-c3ccc4ccccc4c3)no2)n[n-]1 ZINC000055169997 527542013 /nfs/dbraw/zinc/54/20/13/527542013.db2.gz VOKUQNPKVWNECW-UHFFFAOYSA-N -1 3 278.275 2.257 10 0 CEAEHM CC(C)(CCN1CCN(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000087591468 535028590 /nfs/dbraw/zinc/02/85/90/535028590.db2.gz XTCZKYFFDPUJJP-UHFFFAOYSA-N -1 3 294.370 2.449 10 0 CEAEHM CCCc1nc(Br)[n-]c1C(=O)OCC ZINC000196256185 538867674 /nfs/dbraw/zinc/86/76/74/538867674.db2.gz KKVQODVXTZLJLO-UHFFFAOYSA-N -1 3 261.119 2.301 10 0 CEAEHM O=C([O-])c1cc(CN[C@H]2CCc3ccccc3C2)on1 ZINC000236482272 625945618 /nfs/dbraw/zinc/94/56/18/625945618.db2.gz AYQFOGLEDHSTEI-LBPRGKRZSA-N -1 3 272.304 2.020 10 0 CEAEHM O=C(Nc1c(F)cccc1F)c1ccc2n[n-]nc2c1 ZINC000082271729 177940127 /nfs/dbraw/zinc/94/01/27/177940127.db2.gz AFVHTEIFTQVDHT-UHFFFAOYSA-N -1 3 274.230 2.488 10 0 CEAEHM Nc1c2cccc(Br)c2oc1C(=O)[O-] ZINC000095929662 185031940 /nfs/dbraw/zinc/03/19/40/185031940.db2.gz AOVVOCJEEJHLED-UHFFFAOYSA-N -1 3 256.055 2.476 10 0 CEAEHM CCOC(=O)c1c[n-]c2c(Br)ccnc2c1=O ZINC000096320806 344239603 /nfs/dbraw/zinc/23/96/03/344239603.db2.gz UCGZOJSWCJDCHK-UHFFFAOYSA-N -1 3 297.108 2.275 10 0 CEAEHM Clc1nnc(-c2ncccc2Br)[n-]1 ZINC000133391955 344368490 /nfs/dbraw/zinc/36/84/90/344368490.db2.gz JKKJULRHRQFBQP-UHFFFAOYSA-N -1 3 259.494 2.283 10 0 CEAEHM Clc1nc(-c2ncccc2Br)n[n-]1 ZINC000133391955 344368492 /nfs/dbraw/zinc/36/84/92/344368492.db2.gz JKKJULRHRQFBQP-UHFFFAOYSA-N -1 3 259.494 2.283 10 0 CEAEHM Clc1n[n-]c(-c2ncccc2Br)n1 ZINC000133391955 344368494 /nfs/dbraw/zinc/36/84/94/344368494.db2.gz JKKJULRHRQFBQP-UHFFFAOYSA-N -1 3 259.494 2.283 10 0 CEAEHM O=c1cc(OCc2ccccc2)cc2[nH]cnc([O-])c1-2 ZINC000137900931 344388446 /nfs/dbraw/zinc/38/84/46/344388446.db2.gz JVHNBYXZHICPEX-UHFFFAOYSA-N -1 3 268.272 2.208 10 0 CEAEHM CCN([O-])S(=O)(=O)c1ccc(C)cc1Br ZINC000306561826 344714716 /nfs/dbraw/zinc/71/47/16/344714716.db2.gz CCBMZUYWPKIAPO-UHFFFAOYSA-N -1 3 294.170 2.157 10 0 CEAEHM [O-]c1ccc(CNC2CSC2)cc1Br ZINC000306603144 344715257 /nfs/dbraw/zinc/71/52/57/344715257.db2.gz WVPNVMVKCZAZBG-UHFFFAOYSA-N -1 3 274.183 2.360 10 0 CEAEHM [O-]c1csc(N2CCC3(CC2)OCc2ccccc23)n1 ZINC000584634543 344970336 /nfs/dbraw/zinc/97/03/36/344970336.db2.gz KZMZMAURJCIWHQ-UHFFFAOYSA-N -1 3 288.372 2.137 10 0 CEAEHM COc1ccc(CC(OC)OC)c(Br)c1[O-] ZINC000584661717 344974889 /nfs/dbraw/zinc/97/48/89/344974889.db2.gz VFUZGHDERJWFGK-UHFFFAOYSA-N -1 3 291.141 2.325 10 0 CEAEHM CCS(=O)(=O)c1c2cc(C)ccc2oc1C(=O)[O-] ZINC000584882084 344996593 /nfs/dbraw/zinc/99/65/93/344996593.db2.gz ZSJOAOKDMFGASB-UHFFFAOYSA-N -1 3 268.290 2.233 10 0 CEAEHM CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([O-])cc2)[C@@H]1C ZINC000086101692 179230011 /nfs/dbraw/zinc/23/00/11/179230011.db2.gz YKRGGRWYLPKECT-GYSYKLTISA-N -1 3 283.393 2.495 10 0 CEAEHM Cc1ccc(C(=O)NCC(=O)c2ccccc2)c([O-])c1 ZINC000086512078 179304488 /nfs/dbraw/zinc/30/44/88/179304488.db2.gz GTEWBKIFDRWQGA-UHFFFAOYSA-N -1 3 269.300 2.313 10 0 CEAEHM C[C@H](N[C@@H](C(=O)[O-])C1CC1)c1ccc(F)cc1F ZINC000086758398 179323709 /nfs/dbraw/zinc/32/37/09/179323709.db2.gz WLFKHNSJORGHQE-JVXZTZIISA-N -1 3 255.264 2.479 10 0 CEAEHM C[C@H](N[C@@H](C(=O)[O-])C1CC1)c1cc(F)ccc1F ZINC000086757681 179323822 /nfs/dbraw/zinc/32/38/22/179323822.db2.gz CYJVYYKKZBBFFV-JVXZTZIISA-N -1 3 255.264 2.479 10 0 CEAEHM C[C@@]1(C(=O)[O-])CCN(Cc2ccc3c(c2)OCCCO3)C1 ZINC000086780151 179329881 /nfs/dbraw/zinc/32/98/81/179329881.db2.gz XPTDCPQTNMHOQX-MRXNPFEDSA-N -1 3 291.347 2.145 10 0 CEAEHM O=C([O-])COC1CCN(Cc2cc3ccccc3o2)CC1 ZINC000086773365 179326592 /nfs/dbraw/zinc/32/65/92/179326592.db2.gz KUVSUVMSXXSPPP-UHFFFAOYSA-N -1 3 289.331 2.498 10 0 CEAEHM Cc1ccc(CN2CCC(OCC(=O)[O-])CC2)cc1F ZINC000086773437 179326755 /nfs/dbraw/zinc/32/67/55/179326755.db2.gz XNQJSWAYYNOUBI-UHFFFAOYSA-N -1 3 281.327 2.200 10 0 CEAEHM CCOc1cc(CN2CCC[C@@H]2CC(=O)[O-])ccc1O ZINC000086791483 179336002 /nfs/dbraw/zinc/33/60/02/179336002.db2.gz SEDYLCPWEGNLTG-GFCCVEGCSA-N -1 3 279.336 2.230 10 0 CEAEHM CCc1nc([C@H]2CSCCS2)[n-]c(=O)c1C ZINC000086981704 179373026 /nfs/dbraw/zinc/37/30/26/179373026.db2.gz LRJZCOKNLOBHEP-SECBINFHSA-N -1 3 256.396 2.162 10 0 CEAEHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCC3)cc1F ZINC000086992826 179375301 /nfs/dbraw/zinc/37/53/01/179375301.db2.gz NOMDLIGYMLAPJD-UHFFFAOYSA-N -1 3 260.268 2.073 10 0 CEAEHM COc1ccc([O-])c(C(=O)NC[C@@]2(O)CCC[C@@H](C)C2)c1 ZINC000087074139 179391838 /nfs/dbraw/zinc/39/18/38/179391838.db2.gz ZURSARYHVBCJLD-BDJLRTHQSA-N -1 3 293.363 2.072 10 0 CEAEHM CCC1CCC(O)(CNC(=O)c2ccc([O-])cc2)CC1 ZINC000087076198 179392184 /nfs/dbraw/zinc/39/21/84/179392184.db2.gz KCTVXXDSXWYIJO-UHFFFAOYSA-N -1 3 277.364 2.453 10 0 CEAEHM CCN(Cc1ccc(F)c(C)c1)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090477514 179990668 /nfs/dbraw/zinc/99/06/68/179990668.db2.gz HQLILFAYDWJOAD-GXTWGEPZSA-N -1 3 281.327 2.056 10 0 CEAEHM CC1(CNS(=O)(=O)c2ccc([O-])cc2)CCCC1 ZINC000104439999 186003106 /nfs/dbraw/zinc/00/31/06/186003106.db2.gz PHZIPTOFJVYLLE-UHFFFAOYSA-N -1 3 269.366 2.251 10 0 CEAEHM CS(=O)(=O)[N-]c1cc(NCc2cc[nH]c2)ccc1F ZINC000090994585 180082880 /nfs/dbraw/zinc/08/28/80/180082880.db2.gz MWZJENBCGZTPDL-UHFFFAOYSA-N -1 3 283.328 2.137 10 0 CEAEHM C[C@H](c1ccco1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133626 180101662 /nfs/dbraw/zinc/10/16/62/180101662.db2.gz NXWJSMWEFSACRD-ZJUUUORDSA-N -1 3 255.339 2.233 10 0 CEAEHM C[C@H](c1ccc(O)cc1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133544 180102353 /nfs/dbraw/zinc/10/23/53/180102353.db2.gz GRAXSGFTNLWNAA-PWSUYJOCSA-N -1 3 281.377 2.345 10 0 CEAEHM CCC[C@]1(C(=O)[O-])CCN(Cc2cncn2C2CC2)C1 ZINC000091277846 180120495 /nfs/dbraw/zinc/12/04/95/180120495.db2.gz ZIRHWQRQLSEGNM-HNNXBMFYSA-N -1 3 277.368 2.295 10 0 CEAEHM Cc1ccc(C(F)(F)F)cc1NC(=O)c1cnn[n-]1 ZINC000092175948 180337299 /nfs/dbraw/zinc/33/72/99/180337299.db2.gz UZIYRMAELGSRBT-UHFFFAOYSA-N -1 3 270.214 2.384 10 0 CEAEHM Cc1ccc(C(F)(F)F)cc1NC(=O)c1c[n-]nn1 ZINC000092175948 180337300 /nfs/dbraw/zinc/33/73/00/180337300.db2.gz UZIYRMAELGSRBT-UHFFFAOYSA-N -1 3 270.214 2.384 10 0 CEAEHM Cc1ccc(C(F)(F)F)cc1NC(=O)c1cn[n-]n1 ZINC000092175948 180337302 /nfs/dbraw/zinc/33/73/02/180337302.db2.gz UZIYRMAELGSRBT-UHFFFAOYSA-N -1 3 270.214 2.384 10 0 CEAEHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)c1nccs1 ZINC000106238750 186105127 /nfs/dbraw/zinc/10/51/27/186105127.db2.gz OTXYLYCGBFFDFN-MRVPVSSYSA-N -1 3 286.353 2.322 10 0 CEAEHM CNc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2)cc1 ZINC000092365009 180368780 /nfs/dbraw/zinc/36/87/80/180368780.db2.gz AUYCBDDSZCUUNB-UHFFFAOYSA-N -1 3 277.349 2.233 10 0 CEAEHM CNc1ccnc(CSc2nc(C)cc(=O)[n-]2)c1 ZINC000092420842 180381999 /nfs/dbraw/zinc/38/19/99/180381999.db2.gz SZPVHWJNQRQFOT-UHFFFAOYSA-N -1 3 262.338 2.220 10 0 CEAEHM CCc1cc(CN(CC(=O)[O-])C(C)(C)C)n(CC)n1 ZINC000092449812 180387910 /nfs/dbraw/zinc/38/79/10/180387910.db2.gz DZKULPAPXRSRIT-UHFFFAOYSA-N -1 3 267.373 2.151 10 0 CEAEHM Cc1[n-]n([C@H]2CCCCC[C@@H]2O)c(=O)c1C(C)C ZINC000108459955 186217101 /nfs/dbraw/zinc/21/71/01/186217101.db2.gz GUHVKTXXKJTDEC-RWMBFGLXSA-N -1 3 252.358 2.170 10 0 CEAEHM CN1CCC[C@H](CNc2nc(Cl)ccc2C(=O)[O-])C1 ZINC000109599428 186265605 /nfs/dbraw/zinc/26/56/05/186265605.db2.gz MSDGNHPOLXVQOE-SECBINFHSA-N -1 3 283.759 2.187 10 0 CEAEHM CCN(Cc1ccc(C(=O)[O-])s1)[C@H](C)COC ZINC000109602094 186267049 /nfs/dbraw/zinc/26/70/49/186267049.db2.gz AEWVNHPKMJTOFG-SECBINFHSA-N -1 3 257.355 2.303 10 0 CEAEHM COCCN(Cc1ccsc1C(=O)[O-])C1CC1 ZINC000110956039 186336690 /nfs/dbraw/zinc/33/66/90/186336690.db2.gz VQKNDMHOFMEIPQ-UHFFFAOYSA-N -1 3 255.339 2.057 10 0 CEAEHM O=S(=O)(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc([O-])cc1 ZINC000111096815 186352845 /nfs/dbraw/zinc/35/28/45/186352845.db2.gz XMOHWBGNXSIIIS-TUAOUCFPSA-N -1 3 281.377 2.107 10 0 CEAEHM CCOCCN(CC)CCOc1ccc(CC(=O)[O-])cc1 ZINC000111124732 186355295 /nfs/dbraw/zinc/35/52/95/186355295.db2.gz QYWIOVUHTAWOCG-UHFFFAOYSA-N -1 3 295.379 2.051 10 0 CEAEHM CN(C)CCN(C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000111142296 186359489 /nfs/dbraw/zinc/35/94/89/186359489.db2.gz ADEUBESUFSGZEG-UHFFFAOYSA-N -1 3 299.758 2.064 10 0 CEAEHM C[C@@H](CNC(=O)Nc1cccc(Cl)c1C(=O)[O-])N(C)C ZINC000111279688 186387861 /nfs/dbraw/zinc/38/78/61/186387861.db2.gz JPLBPDCOAIPPPG-QMMMGPOBSA-N -1 3 299.758 2.110 10 0 CEAEHM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])NCC2 ZINC000004262534 361307789 /nfs/dbraw/zinc/30/77/89/361307789.db2.gz CPQONAPPQKFDJS-GFCCVEGCSA-N -1 3 279.336 2.146 10 0 CEAEHM COC(=O)c1cc([O-])c2c(c1)Cc1cccc(O)c1C2=O ZINC000013606526 361433579 /nfs/dbraw/zinc/43/35/79/361433579.db2.gz VTHVBLVARLLTDT-UHFFFAOYSA-N -1 3 284.267 2.020 10 0 CEAEHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@H](C)O1 ZINC000235325307 370562511 /nfs/dbraw/zinc/56/25/11/370562511.db2.gz ABCAAFPKOFFBCW-RKDXNWHRSA-N -1 3 269.728 2.295 10 0 CEAEHM [O-]c1c(F)cc(CNC[C@@H](O)c2ccccc2)cc1F ZINC000094265335 184771382 /nfs/dbraw/zinc/77/13/82/184771382.db2.gz SJTFGNWHHRSXJK-CQSZACIVSA-N -1 3 279.286 2.494 10 0 CEAEHM C[C@@H]1CC(CNC(=O)c2cccc([O-])c2)C[C@@H](C)O1 ZINC000281685976 195336926 /nfs/dbraw/zinc/33/69/26/195336926.db2.gz PQEPYUXSMAKTCT-GHMZBOCLSA-N -1 3 263.337 2.326 10 0 CEAEHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCO[C@@H]3C)[n-]2)o1 ZINC000190633131 130128854 /nfs/dbraw/zinc/12/88/54/130128854.db2.gz CTIDXMSEOWQNIZ-ZJUUUORDSA-N -1 3 290.323 2.127 10 0 CEAEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCO[C@@H]3C)n2)o1 ZINC000190633131 130128855 /nfs/dbraw/zinc/12/88/55/130128855.db2.gz CTIDXMSEOWQNIZ-ZJUUUORDSA-N -1 3 290.323 2.127 10 0 CEAEHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCO[C@@H]3C)n[n-]2)o1 ZINC000190633131 130128858 /nfs/dbraw/zinc/12/88/58/130128858.db2.gz CTIDXMSEOWQNIZ-ZJUUUORDSA-N -1 3 290.323 2.127 10 0 CEAEHM C[C@H]1CN2CCCC[C@@H]2CN1c1ccc(C(=O)[O-])cc1N ZINC000094443772 135088449 /nfs/dbraw/zinc/08/84/49/135088449.db2.gz FLGYBGPZOIGCAX-WCQYABFASA-N -1 3 289.379 2.030 10 0 CEAEHM CCN1CC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000315635825 394545390 /nfs/dbraw/zinc/54/53/90/394545390.db2.gz VNZOXCGFPSWPIR-NSHDSACASA-N -1 3 299.212 2.339 10 0 CEAEHM Cc1ccc([O-])c(C(=O)N2CCS[C@@H](C)C2)c1 ZINC000134348607 292163157 /nfs/dbraw/zinc/16/31/57/292163157.db2.gz UOGNMDOOTVBCEJ-JTQLQIEISA-N -1 3 251.351 2.278 10 0 CEAEHM C[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc([O-])cc2)C1 ZINC000230441977 153392747 /nfs/dbraw/zinc/39/27/47/153392747.db2.gz DUEDJABQJVSGFG-GHMZBOCLSA-N -1 3 269.366 2.107 10 0 CEAEHM COc1ccc(F)c(CN2CCCC[C@@H]2C(=O)[O-])c1 ZINC000263440756 154089916 /nfs/dbraw/zinc/08/99/16/154089916.db2.gz WLCLTPNHPQISMJ-CYBMUJFWSA-N -1 3 267.300 2.273 10 0 CEAEHM CCC[C@@H](C(=O)Nc1ccc([O-])cc1F)N(C)C ZINC000183258724 165387663 /nfs/dbraw/zinc/38/76/63/165387663.db2.gz BDKFLEUYRFOTNB-LBPRGKRZSA-N -1 3 254.305 2.200 10 0 CEAEHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000021334942 171302664 /nfs/dbraw/zinc/30/26/64/171302664.db2.gz BIDBVEQCXVZPIE-MRVPVSSYSA-N -1 3 263.309 2.288 10 0 CEAEHM O=c1[n-]nc(SCc2ccc(Cl)nc2)n1C1CC1 ZINC000027240503 171511624 /nfs/dbraw/zinc/51/16/24/171511624.db2.gz XLPBHCLJYYMZSO-UHFFFAOYSA-N -1 3 282.756 2.247 10 0 CEAEHM Cc1ccc([N-]S(=O)(=O)c2ccc(NN)cc2)c(F)c1 ZINC000035354686 172145550 /nfs/dbraw/zinc/14/55/50/172145550.db2.gz XNMBZPBKHFIZFL-UHFFFAOYSA-N -1 3 295.339 2.221 10 0 CEAEHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NN)cc1 ZINC000035354635 172145859 /nfs/dbraw/zinc/14/58/59/172145859.db2.gz JJFUZBWJJWSIJP-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM NNc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000035354494 172145869 /nfs/dbraw/zinc/14/58/69/172145869.db2.gz ZHTLZSRBTSKNRR-UHFFFAOYSA-N -1 3 297.767 2.426 10 0 CEAEHM CCN[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000037181821 173013864 /nfs/dbraw/zinc/01/38/64/173013864.db2.gz FOPMIBBMZFVENM-VIFPVBQESA-N -1 3 263.215 2.320 10 0 CEAEHM O=C([O-])CN[C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037251097 173063045 /nfs/dbraw/zinc/06/30/45/173063045.db2.gz CGRDSJJIMGJULM-SECBINFHSA-N -1 3 276.119 2.491 10 0 CEAEHM Nc1c([N-]c2nccs2)ncnc1Nc1cccnc1 ZINC000040759669 174396825 /nfs/dbraw/zinc/39/68/25/174396825.db2.gz GLHNZYQLMJYJPU-UHFFFAOYSA-N -1 3 285.336 2.398 10 0 CEAEHM CCCO[C@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000042423216 174722546 /nfs/dbraw/zinc/72/25/46/174722546.db2.gz AODZLMPDGGKXAP-NSHDSACASA-N -1 3 267.325 2.369 10 0 CEAEHM CCNCc1cccc(OCC)c1O[C@@H](C)C(=O)[O-] ZINC000043624534 175081587 /nfs/dbraw/zinc/08/15/87/175081587.db2.gz MLFXOXHLTOFRFH-JTQLQIEISA-N -1 3 267.325 2.047 10 0 CEAEHM CCCC[C@H](N)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000044750484 175244763 /nfs/dbraw/zinc/24/47/63/175244763.db2.gz OTJVFXDVAKVHGK-LBPRGKRZSA-N -1 3 264.325 2.149 10 0 CEAEHM COc1ccc2cc(CN[C@@H](C)c3nn[n-]n3)ccc2c1 ZINC000044887905 175271557 /nfs/dbraw/zinc/27/15/57/175271557.db2.gz MBOGABJGOLRMKG-JTQLQIEISA-N -1 3 283.335 2.212 10 0 CEAEHM CC1(C)CC[C@H](NCc2nn[n-]n2)c2ccccc21 ZINC000044927321 175277977 /nfs/dbraw/zinc/27/79/77/175277977.db2.gz CPAUFHAXJIRVOT-LBPRGKRZSA-N -1 3 257.341 2.102 10 0 CEAEHM CC1(C)CC[C@H](NCc2nnn[n-]2)c2ccccc21 ZINC000044927321 175277978 /nfs/dbraw/zinc/27/79/78/175277978.db2.gz CPAUFHAXJIRVOT-LBPRGKRZSA-N -1 3 257.341 2.102 10 0 CEAEHM CCN(C[C@@](N)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000045232008 175335600 /nfs/dbraw/zinc/33/56/00/175335600.db2.gz FFFLIZFPBHRLFG-KRWDZBQOSA-N -1 3 284.359 2.452 10 0 CEAEHM CCc1c(C)nc(-c2ccc3nccnc3c2)[n-]c1=O ZINC000070989673 176019087 /nfs/dbraw/zinc/01/90/87/176019087.db2.gz WSWKAZQJCDBWSD-UHFFFAOYSA-N -1 3 266.304 2.251 10 0 CEAEHM O=C([O-])CCCCCN1CCN(C2CCCC2)CC1 ZINC000071286923 176109532 /nfs/dbraw/zinc/10/95/32/176109532.db2.gz GXOYQYHZFVYWOM-UHFFFAOYSA-N -1 3 268.401 2.192 10 0 CEAEHM CC(C)(C)[C@H](N)C(=O)Nc1ccc(C(=O)[O-])cc1Cl ZINC000071392045 176148807 /nfs/dbraw/zinc/14/88/07/176148807.db2.gz RFQQURIFRLBUCZ-SNVBAGLBSA-N -1 3 284.743 2.350 10 0 CEAEHM Cc1nc(C)c([C@@H](C)Nc2cnccc2C)c(=O)[n-]1 ZINC000071413864 176158955 /nfs/dbraw/zinc/15/89/55/176158955.db2.gz YJESZUVQOCOQLP-SNVBAGLBSA-N -1 3 258.325 2.263 10 0 CEAEHM O=C([O-])c1cccnc1CN1CCC[C@H](CCF)C1 ZINC000656762950 415847241 /nfs/dbraw/zinc/84/72/41/415847241.db2.gz IQJMBUFGHLFNPU-LLVKDONJSA-N -1 3 266.316 2.351 10 0 CEAEHM O=C(NCCc1c[nH]cn1)c1cc2ccccc2cc1[O-] ZINC000078811738 177391521 /nfs/dbraw/zinc/39/15/21/177391521.db2.gz UUGYKYZUXQRRNI-UHFFFAOYSA-N -1 3 281.315 2.241 10 0 CEAEHM O=C(NCCc1cnc[nH]1)c1cc2ccccc2cc1[O-] ZINC000078811738 177391522 /nfs/dbraw/zinc/39/15/22/177391522.db2.gz UUGYKYZUXQRRNI-UHFFFAOYSA-N -1 3 281.315 2.241 10 0 CEAEHM C[C@@H]1C[C@@H](C)[C@H](C)N(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC000167140424 297246108 /nfs/dbraw/zinc/24/61/08/297246108.db2.gz BVUGGPRFGSAIHE-UTUOFQBUSA-N -1 3 283.393 2.447 10 0 CEAEHM CCNC(C)(C)C(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000061298045 519903428 /nfs/dbraw/zinc/90/34/28/519903428.db2.gz FCDUEJLLMADTHS-UHFFFAOYSA-N -1 3 298.770 2.146 10 0 CEAEHM CCNC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000061292785 519906079 /nfs/dbraw/zinc/90/60/79/519906079.db2.gz IOVVPIOCJHXGJD-UHFFFAOYSA-N -1 3 264.325 2.020 10 0 CEAEHM Cc1cnn([C@@H]2CCCN(C(=O)c3cccc([O-])c3)C2)c1 ZINC000182390819 526266143 /nfs/dbraw/zinc/26/61/43/526266143.db2.gz HXKKTGSORPKVMS-CQSZACIVSA-N -1 3 285.347 2.374 10 0 CEAEHM O=C([O-])[C@H](NCc1cc(-c2cccs2)on1)C1CC1 ZINC000054523532 526313396 /nfs/dbraw/zinc/31/33/96/526313396.db2.gz DNRXTZFPLLZBHM-GFCCVEGCSA-N -1 3 278.333 2.356 10 0 CEAEHM O=C([O-])c1cc(Cl)nc(NCCN2CCCCC2)c1 ZINC000049575636 526346083 /nfs/dbraw/zinc/34/60/83/526346083.db2.gz PUZSIAWQTXLPNX-UHFFFAOYSA-N -1 3 283.759 2.331 10 0 CEAEHM CC(C)(CCN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000087591456 535028521 /nfs/dbraw/zinc/02/85/21/535028521.db2.gz FNKDUSZBICFKCG-UHFFFAOYSA-N -1 3 276.380 2.310 10 0 CEAEHM CCN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2Cl)C1 ZINC000757194101 574512211 /nfs/dbraw/zinc/51/22/11/574512211.db2.gz YCJOSXJZXRBMIG-MNOVXSKESA-N -1 3 253.729 2.460 10 0 CEAEHM Cc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2O)o1 ZINC000125610771 365680322 /nfs/dbraw/zinc/68/03/22/365680322.db2.gz GNEKJNIOUCAEKE-SECBINFHSA-N -1 3 261.277 2.490 10 0 CEAEHM COc1cccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1[O-] ZINC000048194641 362249463 /nfs/dbraw/zinc/24/94/63/362249463.db2.gz OWKSBECQCILVSM-OLZOCXBDSA-N -1 3 291.347 2.184 10 0 CEAEHM O=S(=O)(CC1CC1)[N-]c1nc2ccccc2nc1Cl ZINC000146109821 344410277 /nfs/dbraw/zinc/41/02/77/344410277.db2.gz NIJCYZPZDCKTNS-UHFFFAOYSA-N -1 3 297.767 2.435 10 0 CEAEHM [O-]c1cc(Br)cnc1OC(F)(F)F ZINC000238727477 344608050 /nfs/dbraw/zinc/60/80/50/344608050.db2.gz WDJXKDGQVMKGJJ-UHFFFAOYSA-N -1 3 257.993 2.448 10 0 CEAEHM CCn1ccnc1CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250338604 344632574 /nfs/dbraw/zinc/63/25/74/344632574.db2.gz KGTDMVXLCXGQNT-UPJWGTAASA-N -1 3 277.368 2.121 10 0 CEAEHM CCO[C@@]1(C(=O)Nc2ccc([O-])cc2Cl)CCOC1 ZINC000402387520 344873005 /nfs/dbraw/zinc/87/30/05/344873005.db2.gz QYUTZMCHCOPGEB-ZDUSSCGKSA-N -1 3 285.727 2.180 10 0 CEAEHM CCS(=O)(=O)c1c2cccc(C)c2oc1C(=O)[O-] ZINC000584881816 344996144 /nfs/dbraw/zinc/99/61/44/344996144.db2.gz RSFYHDXIYCNTAL-UHFFFAOYSA-N -1 3 268.290 2.233 10 0 CEAEHM CC(=O)[N-]C(=O)c1ccc(-c2ccc(N)cc2C)o1 ZINC000085346783 179028946 /nfs/dbraw/zinc/02/89/46/179028946.db2.gz FVLDYSUALPOGCU-UHFFFAOYSA-N -1 3 258.277 2.114 10 0 CEAEHM CN(C)Cc1cccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000085410827 179056663 /nfs/dbraw/zinc/05/66/63/179056663.db2.gz YPEIDARREACEQQ-CHWSQXEVSA-N -1 3 290.363 2.044 10 0 CEAEHM CN(C)Cc1ccccc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000085411603 179057203 /nfs/dbraw/zinc/05/72/03/179057203.db2.gz PJIZJCDTLJBTLF-QWHCGFSZSA-N -1 3 290.363 2.044 10 0 CEAEHM CCC(CC)[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])c1ccccc1 ZINC000085814812 179179220 /nfs/dbraw/zinc/17/92/20/179179220.db2.gz YZATVGNISGXZPT-DZGCQCFKSA-N -1 3 292.379 2.082 10 0 CEAEHM N[C@H](CCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000085818427 179181377 /nfs/dbraw/zinc/18/13/77/179181377.db2.gz SMZRJXORGUJSEG-MRVPVSSYSA-N -1 3 291.134 2.124 10 0 CEAEHM O=C([O-])CCOC1CCN(Cc2c(F)cccc2F)CC1 ZINC000086773828 179326624 /nfs/dbraw/zinc/32/66/24/179326624.db2.gz KTHPWMACGSFRHI-UHFFFAOYSA-N -1 3 299.317 2.421 10 0 CEAEHM C[C@H](c1cccs1)N1CCC(OCC(=O)[O-])CC1 ZINC000086773244 179326893 /nfs/dbraw/zinc/32/68/93/179326893.db2.gz USVJKZQIZNEGDT-SNVBAGLBSA-N -1 3 269.366 2.375 10 0 CEAEHM C[C@H](c1cccnc1)N1CCC(OCCC(=O)[O-])CC1 ZINC000086773804 179326944 /nfs/dbraw/zinc/32/69/44/179326944.db2.gz LIPOFUYHACHKRF-GFCCVEGCSA-N -1 3 278.352 2.098 10 0 CEAEHM COc1ccc([C@H](C)N2CCC(OCC(=O)[O-])CC2)cc1 ZINC000086773528 179327136 /nfs/dbraw/zinc/32/71/36/179327136.db2.gz NCDLSVCIMAOIAT-LBPRGKRZSA-N -1 3 293.363 2.322 10 0 CEAEHM C[C@@H](CN(C)[C@@H](C)c1nc2ccccc2n1C)C(=O)[O-] ZINC000086807609 179339448 /nfs/dbraw/zinc/33/94/48/179339448.db2.gz NKTVGTSTMDRREF-QWRGUYRKSA-N -1 3 275.352 2.287 10 0 CEAEHM CC[C@@]1(C(=O)[O-])CCCN([C@@H]2COc3cc(O)ccc32)C1 ZINC000086784598 179331903 /nfs/dbraw/zinc/33/19/03/179331903.db2.gz GCHWSDXWAMAYHZ-CZUORRHYSA-N -1 3 291.347 2.403 10 0 CEAEHM CCC1(C(=O)[O-])CCN([C@H](C)c2cnn(C)c2)CC1 ZINC000086788834 179333818 /nfs/dbraw/zinc/33/38/18/179333818.db2.gz CAFKBHCGBRPMEQ-LLVKDONJSA-N -1 3 265.357 2.058 10 0 CEAEHM COc1cc(CN2CCC[C@H](CCC(=O)[O-])C2)ccc1O ZINC000086809204 179340804 /nfs/dbraw/zinc/34/08/04/179340804.db2.gz GIQGDCSWOVBIJB-GFCCVEGCSA-N -1 3 293.363 2.478 10 0 CEAEHM COc1ccc2c(c1)CCC[C@@H]2N1CC(CC(=O)[O-])C1 ZINC000086812026 179341323 /nfs/dbraw/zinc/34/13/23/179341323.db2.gz UBWDPQDZHSMIAD-HNNXBMFYSA-N -1 3 275.348 2.479 10 0 CEAEHM CC1(C)CCC[C@H](N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000086921868 179368097 /nfs/dbraw/zinc/36/80/97/179368097.db2.gz DPMVRRWFDVAAEC-RYUDHWBXSA-N -1 3 255.358 2.131 10 0 CEAEHM C[C@@H]1CCC[C@@](O)(CNC(=O)c2ccc([O-])cc2)C1 ZINC000087074251 179391689 /nfs/dbraw/zinc/39/16/89/179391689.db2.gz FTPPCVZDUDPGSN-ABAIWWIYSA-N -1 3 263.337 2.063 10 0 CEAEHM C[C@H]1CC=CC[C@H]1COc1[n-]c(=NN)ncc1Cl ZINC000087876838 179507566 /nfs/dbraw/zinc/50/75/66/179507566.db2.gz DDFHUJOHVFXDMY-IUCAKERBSA-N -1 3 268.748 2.397 10 0 CEAEHM C[C@H]1CC=CC[C@H]1COc1nc(=NN)[n-]cc1Cl ZINC000087876838 179507568 /nfs/dbraw/zinc/50/75/68/179507568.db2.gz DDFHUJOHVFXDMY-IUCAKERBSA-N -1 3 268.748 2.397 10 0 CEAEHM NN=c1ncc(Cl)c(Oc2ccc(F)c(F)c2)[n-]1 ZINC000087884913 179510800 /nfs/dbraw/zinc/51/08/00/179510800.db2.gz QNQRMURHDFSJIW-UHFFFAOYSA-N -1 3 272.642 2.486 10 0 CEAEHM NN=c1nc(Oc2ccc(F)c(F)c2)c(Cl)c[n-]1 ZINC000087884913 179510802 /nfs/dbraw/zinc/51/08/02/179510802.db2.gz QNQRMURHDFSJIW-UHFFFAOYSA-N -1 3 272.642 2.486 10 0 CEAEHM O=C([O-])[C@H]1CCC[C@@H]1CNc1cc2ccccc2c(=O)[nH]1 ZINC000089429256 179786903 /nfs/dbraw/zinc/78/69/03/179786903.db2.gz WMBJOFUIAQQWGF-YPMHNXCESA-N -1 3 286.331 2.441 10 0 CEAEHM CC(C)[N-]S(=O)(=O)c1occc1-c1ccc(C=O)cc1 ZINC000675054994 539762484 /nfs/dbraw/zinc/76/24/84/539762484.db2.gz XMIZLPMEVPYOPM-UHFFFAOYSA-N -1 3 293.344 2.446 10 0 CEAEHM CC[C@@H](C)N1CCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000091782218 180253498 /nfs/dbraw/zinc/25/34/98/180253498.db2.gz JJXMLUWMTGFDGY-VXGBXAGGSA-N -1 3 280.368 2.455 10 0 CEAEHM CN[C@@H](C)c1cccn1Cc1nc(=O)c2sccc2[n-]1 ZINC000091800630 180259262 /nfs/dbraw/zinc/25/92/62/180259262.db2.gz GHNUGYOKLHFPJJ-VIFPVBQESA-N -1 3 288.376 2.115 10 0 CEAEHM Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)c(N)c2)ccn1 ZINC000092348822 180367565 /nfs/dbraw/zinc/36/75/65/180367565.db2.gz DVHILFZIPUUPEV-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM CC(C)[C@@H](CO)Nc1c(C(=O)[O-])cnc2ccccc21 ZINC000092401358 180377805 /nfs/dbraw/zinc/37/78/05/180377805.db2.gz JKLXNEVVLZOPGK-CYBMUJFWSA-N -1 3 274.320 2.362 10 0 CEAEHM O=c1[n-]c(Cc2ccccn2)nc2c1CCCCC2 ZINC000109521140 186259408 /nfs/dbraw/zinc/25/94/08/186259408.db2.gz LOZUQRPSRKRVPD-UHFFFAOYSA-N -1 3 255.321 2.025 10 0 CEAEHM O=C([O-])c1ccc(Cl)nc1N[C@H]1CCN(C2CC2)C1 ZINC000109599461 186266060 /nfs/dbraw/zinc/26/60/60/186266060.db2.gz VSUWKLDQJPXCOS-QMMMGPOBSA-N -1 3 281.743 2.082 10 0 CEAEHM CCOC(=O)c1nc(C23CC4CC(CC(C4)C2)C3)n[n-]1 ZINC000109605429 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186299462 /nfs/dbraw/zinc/29/94/62/186299462.db2.gz FCZATIUKLKXQMF-UHFFFAOYSA-N -1 3 288.347 2.249 10 0 CEAEHM CN1CCCC[C@@H]1CNc1ccc(F)cc1C(=O)[O-] ZINC000111028937 186345980 /nfs/dbraw/zinc/34/59/80/186345980.db2.gz CZQMUNMKDFCSDU-LLVKDONJSA-N -1 3 266.316 2.420 10 0 CEAEHM CN(C)CCN(C)c1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000111151705 186360508 /nfs/dbraw/zinc/36/05/08/186360508.db2.gz BODQTZFMSDHAGA-UHFFFAOYSA-N -1 3 285.413 2.137 10 0 CEAEHM O=C([O-])c1cccnc1CN1CCCC(F)(F)CC1 ZINC000629368803 351336572 /nfs/dbraw/zinc/33/65/72/351336572.db2.gz WINDZJBFRLOKMY-UHFFFAOYSA-N -1 3 270.279 2.401 10 0 CEAEHM Cc1sc(C(=O)[O-])cc1CN(C)C[C@H]1CCCO1 ZINC000155964361 539992449 /nfs/dbraw/zinc/99/24/49/539992449.db2.gz PUMUCYFNWCDWNK-LLVKDONJSA-N -1 3 269.366 2.366 10 0 CEAEHM CC[C@H](CO)Nc1cc(C)nc2ccc(C(=O)[O-])cc21 ZINC000004226486 361306556 /nfs/dbraw/zinc/30/65/56/361306556.db2.gz JGTFBSDFPRZGGU-LLVKDONJSA-N -1 3 274.320 2.424 10 0 CEAEHM CC[C@H](C)Cc1nc2c(CC(C)C)[nH]nc2c(=O)[n-]1 ZINC000089212122 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282.359 2.237 10 0 CEAEHM CCCC[C@H](C)[N-]S(=O)(=O)c1cc(N)cs1 ZINC000050886866 521151242 /nfs/dbraw/zinc/15/12/42/521151242.db2.gz XJQSBBRSCCKFKX-QMMMGPOBSA-N -1 3 262.400 2.187 10 0 CEAEHM CCCc1nc(N2CCC[C@@H]2CN(C)C)sc1C(=O)[O-] ZINC000061655567 521533082 /nfs/dbraw/zinc/53/30/82/521533082.db2.gz LOLNBOZWOXHPAQ-SNVBAGLBSA-N -1 3 297.424 2.324 10 0 CEAEHM CC(C)(C)N1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000062755422 518711492 /nfs/dbraw/zinc/71/14/92/518711492.db2.gz KOASLZAMTKHILL-UHFFFAOYSA-N -1 3 294.370 2.440 10 0 CEAEHM CC(C)CC[C@H](C)NS(=O)(=O)c1ccc([O-])cc1 ZINC000069235131 519691334 /nfs/dbraw/zinc/69/13/34/519691334.db2.gz RUDXIZHBSWIGPL-NSHDSACASA-N -1 3 271.382 2.495 10 0 CEAEHM CCN1CCC[C@@H]1CNC(=O)Nc1sccc1C(=O)[O-] ZINC000062827634 521638277 /nfs/dbraw/zinc/63/82/77/521638277.db2.gz GSMZWGSWFHDNSZ-SECBINFHSA-N -1 3 297.380 2.052 10 0 CEAEHM CCCN(CCN(C)C)c1ccc(C)cc1C(=O)[O-] ZINC000052984282 521658520 /nfs/dbraw/zinc/65/85/20/521658520.db2.gz XVVZZYQAEQXXEM-UHFFFAOYSA-N -1 3 264.369 2.471 10 0 CEAEHM CC[C@@H](CC(=O)[O-])N1CCN(c2cccc(OC)c2)CC1 ZINC000062749899 522484329 /nfs/dbraw/zinc/48/43/29/522484329.db2.gz SVVLNYAVZXXVLN-ZDUSSCGKSA-N -1 3 292.379 2.071 10 0 CEAEHM CC[C@H](C)N1CCN(c2cc(C(=O)[O-])c(N)cc2F)CC1 ZINC000055084926 523960661 /nfs/dbraw/zinc/96/06/61/523960661.db2.gz VKTNDTSWAOFPJB-JTQLQIEISA-N -1 3 295.358 2.027 10 0 CEAEHM CCc1ccc(NC(=O)CN(CC)C[C@@H](C)C(=O)[O-])cc1 ZINC000061220868 523971673 /nfs/dbraw/zinc/97/16/73/523971673.db2.gz PCCFLLTYTDQYQR-GFCCVEGCSA-N -1 3 292.379 2.230 10 0 CEAEHM Cc1cc(Sc2ccc3c(c2)[N-]C(=O)C3=O)n(C)n1 ZINC000052310176 525442571 /nfs/dbraw/zinc/44/25/71/525442571.db2.gz HAPYOWTZGANUGD-UHFFFAOYSA-N -1 3 273.317 2.015 10 0 CEAEHM C[C@@H]1[C@@H](C)CCCN1c1ccc2c(c1)[N-]C(=O)C2=O ZINC000050565211 525644085 /nfs/dbraw/zinc/64/40/85/525644085.db2.gz CFPCFYUVGPZRFK-VHSXEESVSA-N -1 3 258.321 2.446 10 0 CEAEHM N[C@@](COc1cc(F)cc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000054933961 527379451 /nfs/dbraw/zinc/37/94/51/527379451.db2.gz 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368449384 /nfs/dbraw/zinc/44/93/84/368449384.db2.gz YECCJBQAZQQJMQ-PSASIEDQSA-N -1 3 269.728 2.031 10 0 CEAEHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccccc2F)o1 ZINC000226555968 370345938 /nfs/dbraw/zinc/34/59/38/370345938.db2.gz UMRJUAXCKKJEEF-VIFPVBQESA-N -1 3 284.312 2.162 10 0 CEAEHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@H]1CCCO1 ZINC000235505711 370568597 /nfs/dbraw/zinc/56/85/97/370568597.db2.gz HSCOFCMYUVPATA-QPUJVOFHSA-N -1 3 269.728 2.343 10 0 CEAEHM CC(C)CN(Cc1nc(C(=O)[O-])co1)CC(C)C ZINC000387050368 375271300 /nfs/dbraw/zinc/27/13/00/375271300.db2.gz VUTJUUHGYVGOTE-UHFFFAOYSA-N -1 3 254.330 2.487 10 0 CEAEHM CC(C)[C@@H](c1cccs1)N1CCN(CC(=O)[O-])CC1 ZINC000086731220 184611013 /nfs/dbraw/zinc/61/10/13/184611013.db2.gz UBIADIJTXGBPQM-AWEZNQCLSA-N -1 3 282.409 2.147 10 0 CEAEHM C[C@H](C(=O)[O-])N1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000086753103 184612316 /nfs/dbraw/zinc/61/23/16/184612316.db2.gz RKOLXGJSQSCXLA-NWDGAFQWSA-N -1 3 296.798 2.492 10 0 CEAEHM CC[C@H](C)N1CCN(c2ccc(C(=O)[O-])cc2)CC1 ZINC000006870763 134663872 /nfs/dbraw/zinc/66/38/72/134663872.db2.gz ZFOGEFOGXKBSJX-LBPRGKRZSA-N -1 3 262.353 2.305 10 0 CEAEHM Cc1cccc(N2CCN(CC3(CC(=O)[O-])CC3)CC2)c1 ZINC000088255949 135053563 /nfs/dbraw/zinc/05/35/63/135053563.db2.gz ALXHWKVEEFUAOS-UHFFFAOYSA-N -1 3 288.391 2.372 10 0 CEAEHM Nc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1F ZINC000021957795 171341917 /nfs/dbraw/zinc/34/19/17/171341917.db2.gz IVNBQMADAWKVQR-UHFFFAOYSA-N -1 3 284.287 2.348 10 0 CEAEHM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(NN)cc1 ZINC000035354587 172145701 /nfs/dbraw/zinc/14/57/01/172145701.db2.gz ZNQMVUODWYNCHO-UHFFFAOYSA-N -1 3 295.339 2.221 10 0 CEAEHM C[C@@H](NCc1coc(-c2cccc(F)c2)n1)C(=O)[O-] ZINC000035387290 172169495 /nfs/dbraw/zinc/16/94/95/172169495.db2.gz LRSMQHLDHNMQEG-MRVPVSSYSA-N -1 3 264.256 2.043 10 0 CEAEHM C[C@H](NC(=O)c1ccccc1[O-])c1cccc(N)c1 ZINC000037177793 173011560 /nfs/dbraw/zinc/01/15/60/173011560.db2.gz MBCPDUYKXNHCJS-JTQLQIEISA-N -1 3 256.305 2.465 10 0 CEAEHM O=C([O-])[C@@H](NC[C@H]1CCCO1)c1ccccc1Cl ZINC000037956811 173899131 /nfs/dbraw/zinc/89/91/31/173899131.db2.gz IWBZVQYHOUZWNI-SKDRFNHKSA-N -1 3 269.728 2.234 10 0 CEAEHM CCC[C@H](N)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000040479371 174283608 /nfs/dbraw/zinc/28/36/08/174283608.db2.gz YSMAIXNCMDZRQY-VIFPVBQESA-N -1 3 270.716 2.104 10 0 CEAEHM O=C([O-])c1ccc(Cl)c(NC(=O)[C@H]2CCCCN2)c1 ZINC000040479284 174283855 /nfs/dbraw/zinc/28/38/55/174283855.db2.gz PJXQVGDQIHDPKX-SNVBAGLBSA-N -1 3 282.727 2.119 10 0 CEAEHM Cc1ccccc1N(CCC(=O)[O-])C(=O)C1(N)CCCC1 ZINC000040483969 174287346 /nfs/dbraw/zinc/28/73/46/174287346.db2.gz DOUDDABOAINWKL-UHFFFAOYSA-N -1 3 290.363 2.074 10 0 CEAEHM Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@@H](N)CC(C)C ZINC000040483942 174287844 /nfs/dbraw/zinc/28/78/44/174287844.db2.gz UATNPILQIZUXFN-ZDUSSCGKSA-N -1 3 292.379 2.176 10 0 CEAEHM COc1ccc([O-])c(C(=O)Nc2cccc(N)c2)c1 ZINC000043327703 175009809 /nfs/dbraw/zinc/00/98/09/175009809.db2.gz WHKHXOSWQZYHBB-UHFFFAOYSA-N -1 3 258.277 2.235 10 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CEAEHM CCc1ccc([C@@H](C)N[C@@H](C)c2nnn[n-]2)s1 ZINC000044926643 175278374 /nfs/dbraw/zinc/27/83/74/175278374.db2.gz PKUQCMIYZXIIHM-SFYZADRCSA-N -1 3 251.359 2.235 10 0 CEAEHM C[C@@H](CNc1ncccc1C(=O)[O-])N1CCCCC1 ZINC000045011000 175289875 /nfs/dbraw/zinc/28/98/75/175289875.db2.gz CFYDYDLXPYSCOG-NSHDSACASA-N -1 3 263.341 2.066 10 0 CEAEHM CC1([N-]S(=O)(=O)c2ccc(CN)s2)CCCCC1 ZINC000045047338 175296748 /nfs/dbraw/zinc/29/67/48/175296748.db2.gz XTPJIAVGEOBHKB-UHFFFAOYSA-N -1 3 288.438 2.208 10 0 CEAEHM C/C(C(=O)[O-])=C(\C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000071164943 176048000 /nfs/dbraw/zinc/04/80/00/176048000.db2.gz DZCISGOGPXDJIF-KHPPLWFESA-N -1 3 276.336 2.108 10 0 CEAEHM CC[C@@H]([N-]S(=O)(=O)c1cnccc1Cl)C(C)C ZINC000071204514 176079416 /nfs/dbraw/zinc/07/94/16/176079416.db2.gz SSXCLEJCKPCLPO-SNVBAGLBSA-N -1 3 276.789 2.448 10 0 CEAEHM N[C@H](C(=O)[O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000072196707 176338633 /nfs/dbraw/zinc/33/86/33/176338633.db2.gz JDXVRYUFSVPERW-ZETCQYMHSA-N -1 3 253.607 2.443 10 0 CEAEHM C[C@H](CCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)CCC(=O)[O-] ZINC000079058995 177423818 /nfs/dbraw/zinc/42/38/18/177423818.db2.gz DHIVMWBIPXUIIZ-XUXIUFHCSA-N -1 3 298.427 2.255 10 0 CEAEHM CC(C)NCC(=O)NCC[C@@H](CCC(=O)[O-])C(C)(C)C ZINC000079286560 177464139 /nfs/dbraw/zinc/46/41/39/177464139.db2.gz MZDZIROXEQZOGS-GFCCVEGCSA-N -1 3 286.416 2.018 10 0 CEAEHM Cn1cc2c(n1)CCC[C@H]2NCc1cccc(C(=O)[O-])c1 ZINC000263425782 279356114 /nfs/dbraw/zinc/35/61/14/279356114.db2.gz QLTMNGSXLCXBHP-CQSZACIVSA-N -1 3 285.347 2.286 10 0 CEAEHM CCN(CC(=O)N[C@H](C)c1cccs1)[C@@H](C)CC(=O)[O-] ZINC000061182510 520346340 /nfs/dbraw/zinc/34/63/40/520346340.db2.gz SJBHWRFBPDAGBF-WDEREUQCSA-N -1 3 298.408 2.110 10 0 CEAEHM CCN(Cc1cc(OC)ccc1OC)C[C@@H](C)C(=O)[O-] ZINC000061220687 521292378 /nfs/dbraw/zinc/29/23/78/521292378.db2.gz BBYAHMXXGPAIPZ-LLVKDONJSA-N -1 3 281.352 2.246 10 0 CEAEHM CC[C@H](CC(=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000062750515 522111460 /nfs/dbraw/zinc/11/14/60/522111460.db2.gz IMYQXXURONUELR-CYBMUJFWSA-N -1 3 262.353 2.062 10 0 CEAEHM CCNC(C)(C)C(=O)N(CCCC(=O)[O-])c1ccccc1 ZINC000061298025 519903977 /nfs/dbraw/zinc/90/39/77/519903977.db2.gz ZNSYRTAAMVOSHD-UHFFFAOYSA-N -1 3 292.379 2.273 10 0 CEAEHM CCN(C(=O)c1nnc(N)[n-]1)c1cccc2ccccc21 ZINC000055164193 520124421 /nfs/dbraw/zinc/12/44/21/520124421.db2.gz ODNZRTQLYPARGS-UHFFFAOYSA-N -1 3 281.319 2.207 10 0 CEAEHM CCN(C(=O)c1nc(N)n[n-]1)c1cccc2ccccc21 ZINC000055164193 520124426 /nfs/dbraw/zinc/12/44/26/520124426.db2.gz ODNZRTQLYPARGS-UHFFFAOYSA-N -1 3 281.319 2.207 10 0 CEAEHM CCN(C(=O)c1n[n-]c(N)n1)c1cccc2ccccc21 ZINC000055164193 520124435 /nfs/dbraw/zinc/12/44/35/520124435.db2.gz ODNZRTQLYPARGS-UHFFFAOYSA-N -1 3 281.319 2.207 10 0 CEAEHM CCN(CC(=O)Nc1cccc(Cl)c1)[C@@H](C)CC(=O)[O-] ZINC000061183225 520362966 /nfs/dbraw/zinc/36/29/66/520362966.db2.gz DVBAXLANWGGRDT-JTQLQIEISA-N -1 3 298.770 2.464 10 0 CEAEHM CCC[C@@]1(C(=O)[O-])CCN([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000062937754 520946687 /nfs/dbraw/zinc/94/66/87/520946687.db2.gz VUIPHGUUZQIESE-BLLLJJGKSA-N -1 3 296.411 2.011 10 0 CEAEHM CCN(Cc1ccccc1OC)C[C@@H](C)C(=O)[O-] ZINC000061218326 521387712 /nfs/dbraw/zinc/38/77/12/521387712.db2.gz QIFPJSPDYAUBAO-LLVKDONJSA-N -1 3 251.326 2.238 10 0 CEAEHM CC[C@@H](C)N1CCN(c2ccc(C(=O)[O-])cc2F)CC1 ZINC000055067537 522133566 /nfs/dbraw/zinc/13/35/66/522133566.db2.gz ZMQQWZGEPMKQSE-LLVKDONJSA-N -1 3 280.343 2.444 10 0 CEAEHM CC[C@@H](C)N1CCN(c2cc(C(=O)[O-])cc(Cl)n2)CC1 ZINC000055083236 522134727 /nfs/dbraw/zinc/13/47/27/522134727.db2.gz GWBASFWINYOMKS-SNVBAGLBSA-N -1 3 297.786 2.354 10 0 CEAEHM CC[C@@H](C)NC(=O)[C@@H](C)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925444 522186339 /nfs/dbraw/zinc/18/63/39/522186339.db2.gz ADOSXJCINMAECQ-JHJVBQTASA-N -1 3 284.400 2.009 10 0 CEAEHM CC[C@@H](CC(=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000062750631 522484225 /nfs/dbraw/zinc/48/42/25/522484225.db2.gz GPOWWEKCYQUONJ-ZDUSSCGKSA-N -1 3 280.343 2.201 10 0 CEAEHM CNc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)cn1 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ZINC000050640825 527499762 /nfs/dbraw/zinc/49/97/62/527499762.db2.gz ZKHRGXMXWOIJNF-UHFFFAOYSA-N -1 3 283.740 2.118 10 0 CEAEHM O=C([O-])CNC1c2ccccc2Cc2ccccc21 ZINC000061669813 527612616 /nfs/dbraw/zinc/61/26/16/527612616.db2.gz ZRIPKSHUEJJQAW-UHFFFAOYSA-N -1 3 253.301 2.354 10 0 CEAEHM CCC(N)(CC)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000094244990 535182711 /nfs/dbraw/zinc/18/27/11/535182711.db2.gz VSIZLOPTSSLWPC-UHFFFAOYSA-N -1 3 290.363 2.182 10 0 CEAEHM Cc1c([N-]S(=O)(=O)/C=C\c2ccccc2)cnn1C ZINC000255549193 624691071 /nfs/dbraw/zinc/69/10/71/624691071.db2.gz OCPBQWZSJRULKM-HJWRWDBZSA-N -1 3 277.349 2.141 10 0 CEAEHM COc1ccc(S(=O)(=O)[N-]c2cccc(N)c2)cc1 ZINC000032123578 343412112 /nfs/dbraw/zinc/41/21/12/343412112.db2.gz LDSJOODXMKSEKN-UHFFFAOYSA-N -1 3 278.333 2.078 10 0 CEAEHM COC(=O)Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000036815761 343424246 /nfs/dbraw/zinc/42/42/46/343424246.db2.gz OUVVYHVGBUYXIM-UHFFFAOYSA-N -1 3 272.326 2.206 10 0 CEAEHM S=c1[n-]c([C@@H]2CCOC2)ncc1Br ZINC000236571813 344596381 /nfs/dbraw/zinc/59/63/81/344596381.db2.gz HWDRYOYJCMKXOQ-RXMQYKEDSA-N -1 3 261.144 2.032 10 0 CEAEHM C[C@H]1CCCN(Cc2ccc(S(=O)(=O)[O-])cc2)C1 ZINC000058824804 362639968 /nfs/dbraw/zinc/63/99/68/362639968.db2.gz SYLHDZZMOLMYQX-NSHDSACASA-N -1 3 269.366 2.165 10 0 CEAEHM CC(C)c1cnc(SCC(=O)[O-])n1C[C@H]1CCN(C)C1 ZINC000085668843 179110876 /nfs/dbraw/zinc/11/08/76/179110876.db2.gz XURDEDQVALOSHR-NSHDSACASA-N -1 3 297.424 2.135 10 0 CEAEHM CCC(C)(C)C1CCC(NC(=O)[C@@H](N)CCC(=O)[O-])CC1 ZINC000085819180 179181730 /nfs/dbraw/zinc/18/17/30/179181730.db2.gz QAROVXOFPADBGB-BPCQOVAHSA-N -1 3 298.427 2.290 10 0 CEAEHM CC[C@H](NC(=O)[C@H](N)CCC(=O)[O-])c1cccc(Cl)c1 ZINC000085819203 179182002 /nfs/dbraw/zinc/18/20/02/179182002.db2.gz DZRMQDFDOCRTHA-NEPJUHHUSA-N -1 3 298.770 2.099 10 0 CEAEHM C[C@H]1[C@H]([N-]S(=O)(=O)c2cc(N)ccc2F)CC[C@@H]1C ZINC000086069745 179224679 /nfs/dbraw/zinc/22/46/79/179224679.db2.gz QZOCPDMNFOGRRK-YGOYTEALSA-N -1 3 286.372 2.121 10 0 CEAEHM 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283.759 2.329 10 0 CEAEHM CCOC(=O)c1nnc(-c2cccc(Br)c2)[n-]1 ZINC000109605582 186267691 /nfs/dbraw/zinc/26/76/91/186267691.db2.gz JHTTVLCBMUKLJE-UHFFFAOYSA-N -1 3 296.124 2.411 10 0 CEAEHM CCOC(=O)c1nc(-c2cccc(Br)c2)n[n-]1 ZINC000109605582 186267693 /nfs/dbraw/zinc/26/76/93/186267693.db2.gz JHTTVLCBMUKLJE-UHFFFAOYSA-N -1 3 296.124 2.411 10 0 CEAEHM CC(C)c1c(N)nc(Cc2ccccc2F)[n-]c1=O ZINC000110473123 186298554 /nfs/dbraw/zinc/29/85/54/186298554.db2.gz BLQLUFBFERMIMF-UHFFFAOYSA-N -1 3 261.300 2.205 10 0 CEAEHM CCCC[C@@H](N)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000110988378 186339820 /nfs/dbraw/zinc/33/98/20/186339820.db2.gz ZPPLQGMVEXWQCH-GFCCVEGCSA-N -1 3 264.325 2.149 10 0 CEAEHM CN1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1(C)C ZINC000110760903 186323860 /nfs/dbraw/zinc/32/38/60/186323860.db2.gz IRMGQIILRYQTQY-UHFFFAOYSA-N -1 3 280.343 2.050 10 0 CEAEHM Cc1c(C(F)(F)F)nc(C2([NH3+])CCCCC2)[n-]c1=O ZINC000111308139 186395208 /nfs/dbraw/zinc/39/52/08/186395208.db2.gz GIZAASSEYFFHIR-UHFFFAOYSA-N -1 3 275.274 2.215 10 0 CEAEHM Cc1c(C(F)(F)F)nc(C2(N)CCCCC2)[n-]c1=O ZINC000111308139 186395209 /nfs/dbraw/zinc/39/52/09/186395209.db2.gz GIZAASSEYFFHIR-UHFFFAOYSA-N -1 3 275.274 2.215 10 0 CEAEHM CCCC[C@H](N)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278500 186386516 /nfs/dbraw/zinc/38/65/16/186386516.db2.gz FADYXUOENCRTKR-VIFPVBQESA-N -1 3 284.743 2.494 10 0 CEAEHM CCN1CCC[C@H]1CN(C)C(=O)c1ccc(F)cc1[O-] ZINC000124005939 187117955 /nfs/dbraw/zinc/11/79/55/187117955.db2.gz SNPTVRFIUXTUEG-LBPRGKRZSA-N -1 3 280.343 2.088 10 0 CEAEHM CCSc1ccc2c(c1)-c1c(nc(N)[n-]c1=O)CC2 ZINC000013832446 361444001 /nfs/dbraw/zinc/44/40/01/361444001.db2.gz LJENRMRYASZENK-UHFFFAOYSA-N -1 3 273.361 2.230 10 0 CEAEHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000120949040 365501195 /nfs/dbraw/zinc/50/11/95/365501195.db2.gz OZRNLUGQJMBDLX-CYBMUJFWSA-N -1 3 287.367 2.195 10 0 CEAEHM O=c1[n-]ncc2cn(-c3ccc(C(F)(F)F)cc3)nc21 ZINC000256046437 371598786 /nfs/dbraw/zinc/59/87/86/371598786.db2.gz FWQZZFJCXYCAMA-UHFFFAOYSA-N -1 3 280.209 2.128 10 0 CEAEHM CCOC(=O)c1cc(Br)c(F)cc1[O-] ZINC000259869271 371629021 /nfs/dbraw/zinc/62/90/21/371629021.db2.gz OWRCNMDNULZPOM-UHFFFAOYSA-N -1 3 263.062 2.471 10 0 CEAEHM COC(=O)Cc1c([O-])ccc(F)c1Br ZINC000260732251 371636269 /nfs/dbraw/zinc/63/62/69/371636269.db2.gz DYRWDURIHQOWBY-UHFFFAOYSA-N -1 3 263.062 2.009 10 0 CEAEHM CC[C@H](N)C1=NC(=O)C(c2ccc(Cl)cc2)C([O-])=N1 ZINC000093146092 184651397 /nfs/dbraw/zinc/65/13/97/184651397.db2.gz JOSVVAPHFUOZEZ-VIFPVBQESA-N -1 3 279.727 2.206 10 0 CEAEHM O=C(Nc1cc(F)cc(F)c1)c1n[n-]c(C2CC2)n1 ZINC000095049935 184924726 /nfs/dbraw/zinc/92/47/26/184924726.db2.gz RXSYEIOKXOWISF-UHFFFAOYSA-N -1 3 264.235 2.213 10 0 CEAEHM C[C@@H]1C[C@@H](CNC(=O)c2c([O-])cccc2O)C[C@H](C)O1 ZINC000281581860 195296052 /nfs/dbraw/zinc/29/60/52/195296052.db2.gz ZXOOWXXIPCWINV-JGPRNRPPSA-N -1 3 279.336 2.031 10 0 CEAEHM CC[C@H](C)N1CCN(c2cccc(F)c2C(=O)[O-])CC1 ZINC000093411205 135080776 /nfs/dbraw/zinc/08/07/76/135080776.db2.gz UKBLHWVOWMKAFN-NSHDSACASA-N -1 3 280.343 2.444 10 0 CEAEHM [O-]c1ccc(CNc2ccc(N3CCOCC3)cc2)nc1 ZINC000094208618 135084441 /nfs/dbraw/zinc/08/44/41/135084441.db2.gz KNUMILVBQSWRSX-UHFFFAOYSA-N -1 3 285.347 2.236 10 0 CEAEHM Cc1cc(C)c(C(=O)[O-])c(N2CCN3CCCC[C@@H]3C2)n1 ZINC000094440309 135088856 /nfs/dbraw/zinc/08/88/56/135088856.db2.gz PFDYCDVCWONCAS-CYBMUJFWSA-N -1 3 289.379 2.071 10 0 CEAEHM CCO[C@]1(c2nc(-c3ccc([O-])cc3)no2)CCOC1 ZINC000351295828 395200274 /nfs/dbraw/zinc/20/02/74/395200274.db2.gz MYXLALAZZXWMPW-CQSZACIVSA-N -1 3 276.292 2.094 10 0 CEAEHM Nc1cc(=O)[n-]c(-c2cccc(C(F)(F)F)c2)n1 ZINC000020594167 171263499 /nfs/dbraw/zinc/26/34/99/171263499.db2.gz VTWMVXWBMIGHGN-UHFFFAOYSA-N -1 3 255.199 2.038 10 0 CEAEHM COc1ccc(N)cc1NC(=O)c1cccc([O-])c1 ZINC000022143857 171355737 /nfs/dbraw/zinc/35/57/37/171355737.db2.gz MZCZEDCYGQZLNO-UHFFFAOYSA-N -1 3 258.277 2.235 10 0 CEAEHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NN)cc2)c1 ZINC000035354583 172145793 /nfs/dbraw/zinc/14/57/93/172145793.db2.gz OLEQQHMAXYMYEF-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM Cc1cc(Cl)ccc1NC(=O)CNCCCC(=O)[O-] ZINC000035423309 172192057 /nfs/dbraw/zinc/19/20/57/172192057.db2.gz MAZJXDXBGLAHAB-UHFFFAOYSA-N -1 3 284.743 2.041 10 0 CEAEHM O=C([O-])[C@H](NC1CC1)c1ccc(F)c(Br)c1 ZINC000037183621 173015517 /nfs/dbraw/zinc/01/55/17/173015517.db2.gz IMFVZOAZVNIZFE-SNVBAGLBSA-N -1 3 288.116 2.466 10 0 CEAEHM CS(=O)(=O)[N-]c1ccc(C(=O)CC(F)(F)F)cc1 ZINC000037360737 173149974 /nfs/dbraw/zinc/14/99/74/173149974.db2.gz IJCYZYYOCZUZND-UHFFFAOYSA-N -1 3 281.255 2.193 10 0 CEAEHM C[C@@H]1CCCCN1c1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000022450771 287279035 /nfs/dbraw/zinc/27/90/35/287279035.db2.gz IDKJDNUYAVEKGH-SSDOTTSWSA-N -1 3 261.247 2.168 10 0 CEAEHM COc1ccc(N)cc1CNC(=O)c1cc(C)ccc1[O-] ZINC000038033355 174030700 /nfs/dbraw/zinc/03/07/00/174030700.db2.gz GPKYFUOXTPMLDS-UHFFFAOYSA-N -1 3 286.331 2.221 10 0 CEAEHM O=c1[nH]cc(-c2ccc(CO)s2)c2c([O-])cccc12 ZINC000038601331 174149542 /nfs/dbraw/zinc/14/95/42/174149542.db2.gz OFHFKSXUTPUNPH-UHFFFAOYSA-N -1 3 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CEAEHM Cc1cc([C@@H](CC(=O)[O-])N2CCN(C)CC2)c(C)s1 ZINC000088045661 179540196 /nfs/dbraw/zinc/54/01/96/179540196.db2.gz SCUWCCFIVKLLAW-CYBMUJFWSA-N -1 3 282.409 2.128 10 0 CEAEHM O=C([O-])c1cccc([C@H]2c3ccccc3CCN2CCO)c1 ZINC000616678507 348558298 /nfs/dbraw/zinc/55/82/98/348558298.db2.gz JCFIVCISEYMYHF-KRWDZBQOSA-N -1 3 297.354 2.325 10 0 CEAEHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(C)c(F)c2)o1 ZINC000088539845 179619448 /nfs/dbraw/zinc/61/94/48/179619448.db2.gz GZRNHDLZFWBTDK-UHFFFAOYSA-N -1 3 298.339 2.247 10 0 CEAEHM CCOC(=O)c1nnc(-c2cccc3c2CCCN3)[n-]1 ZINC000090711343 180028609 /nfs/dbraw/zinc/02/86/09/180028609.db2.gz NHOCVCUEAWJXRD-UHFFFAOYSA-N -1 3 272.308 2.007 10 0 CEAEHM CCOC(=O)c1nc(-c2cccc3c2CCCN3)n[n-]1 ZINC000090711343 180028610 /nfs/dbraw/zinc/02/86/10/180028610.db2.gz NHOCVCUEAWJXRD-UHFFFAOYSA-N -1 3 272.308 2.007 10 0 CEAEHM CC(C)(N)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000090639594 180016911 /nfs/dbraw/zinc/01/69/11/180016911.db2.gz AGPRHYDZCQYKKF-UHFFFAOYSA-N -1 3 290.241 2.079 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2.359 10 0 CEAEHM Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2N)ccn1 ZINC000092348674 180367015 /nfs/dbraw/zinc/36/70/15/180367015.db2.gz VKWXIJHWXCAEEH-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM CCN1CCC[C@H]1CNc1nc(Cl)ccc1C(=O)[O-] ZINC000109598314 186265807 /nfs/dbraw/zinc/26/58/07/186265807.db2.gz DWMYQZVUOYUFPM-VIFPVBQESA-N -1 3 283.759 2.329 10 0 CEAEHM CCc1c(N)nc(Cc2c(F)cccc2Cl)[n-]c1=O ZINC000110472752 186297763 /nfs/dbraw/zinc/29/77/63/186297763.db2.gz XCZPAHQJHRSMRA-UHFFFAOYSA-N -1 3 281.718 2.298 10 0 CEAEHM CCN(Cc1ccsc1C(=O)[O-])[C@@H](C)COC ZINC000110956428 186336843 /nfs/dbraw/zinc/33/68/43/186336843.db2.gz KXUXBJFNFIGCDX-VIFPVBQESA-N -1 3 257.355 2.303 10 0 CEAEHM CCc1ccc(S(=O)(=O)[N-]c2ccncc2C)cc1N ZINC000111043191 186347698 /nfs/dbraw/zinc/34/76/98/186347698.db2.gz UVEKXEAAHDWXKH-UHFFFAOYSA-N -1 3 291.376 2.335 10 0 CEAEHM COc1ccc(C(=O)[O-])cc1NC[C@@H]1CCCCN1C ZINC000111311053 186395073 /nfs/dbraw/zinc/39/50/73/186395073.db2.gz DCRNLACXRALRNS-LBPRGKRZSA-N -1 3 278.352 2.290 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278385 186387348 /nfs/dbraw/zinc/38/73/48/186387348.db2.gz XAJTZPFBXHSCDA-HQJQHLMTSA-N -1 3 284.743 2.350 10 0 CEAEHM Nc1ccccc1S(=O)(=O)[N-]c1ccccc1F ZINC000020061387 361577278 /nfs/dbraw/zinc/57/72/78/361577278.db2.gz HRBKROPZCWMNCS-UHFFFAOYSA-N -1 3 266.297 2.209 10 0 CEAEHM CC(=O)Nc1ccccc1Nc1cc(Cl)n[n-]c1=O ZINC000098181219 364536922 /nfs/dbraw/zinc/53/69/22/364536922.db2.gz BUUKWNZRLYKXAF-UHFFFAOYSA-N -1 3 278.699 2.125 10 0 CEAEHM COC(=O)c1sc([N-]c2cn(C)nc2C)nc1Cl ZINC000221025761 370234779 /nfs/dbraw/zinc/23/47/79/370234779.db2.gz CDLJYXQDYDLNFT-UHFFFAOYSA-N -1 3 286.744 2.369 10 0 CEAEHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ncc(C)o2)c1 ZINC000226615493 370348950 /nfs/dbraw/zinc/34/89/50/370348950.db2.gz JTTFYKMOHYFXJM-SECBINFHSA-N -1 3 276.292 2.188 10 0 CEAEHM CCN1CCC[C@H]1CN(C)C(=O)c1c([O-])cccc1F ZINC000228858523 370414740 /nfs/dbraw/zinc/41/47/40/370414740.db2.gz LHECMSBJIMYKCK-NSHDSACASA-N -1 3 280.343 2.088 10 0 CEAEHM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H](C)NC(C)C ZINC000504714172 379073017 /nfs/dbraw/zinc/07/30/17/379073017.db2.gz INVSCHQEZUKNSW-MRVPVSSYSA-N -1 3 270.354 2.080 10 0 CEAEHM C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000189797759 130023129 /nfs/dbraw/zinc/02/31/29/130023129.db2.gz YCGZVTCAQXQQAY-WCBMZHEXSA-N -1 3 253.273 2.285 10 0 CEAEHM O=c1[nH]c(N2CCCCC2)nc([O-])c1-c1ccccc1F ZINC000093176105 135079782 /nfs/dbraw/zinc/07/97/82/135079782.db2.gz UNLIBMLZFJEKTM-UHFFFAOYSA-N -1 3 289.310 2.272 10 0 CEAEHM CC[C@H]1CN(c2cccc(F)c2C(=O)[O-])CCN1C ZINC000093411299 135080951 /nfs/dbraw/zinc/08/09/51/135080951.db2.gz OGBJVLZRHMJOFG-JTQLQIEISA-N -1 3 266.316 2.054 10 0 CEAEHM CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(F)cc1[O-] ZINC000124065172 394835468 /nfs/dbraw/zinc/83/54/68/394835468.db2.gz KEEAKEFSZWZHML-LBPRGKRZSA-N -1 3 282.359 2.237 10 0 CEAEHM COc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC000648604370 395938222 /nfs/dbraw/zinc/93/82/22/395938222.db2.gz MSDRIQPPUGTNNI-ZWKOPEQDSA-N -1 3 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CEAEHM CC[C@@H]1CN([C@@H](CC(=O)[O-])c2ccccc2)CCO1 ZINC000062752074 523466860 /nfs/dbraw/zinc/46/68/60/523466860.db2.gz LAPDQYSJKSRFQY-KGLIPLIRSA-N -1 3 263.337 2.313 10 0 CEAEHM COc1ccc(C(=O)N[C@]2(CO)CCC[C@@H](C)C2)c([O-])c1 ZINC000053105587 523741820 /nfs/dbraw/zinc/74/18/20/523741820.db2.gz KHHVXOKXOGKCJS-BDJLRTHQSA-N -1 3 293.363 2.072 10 0 CEAEHM COc1ccc(CCn2ccc(=O)[n-]c2=S)cc1OC ZINC000052312414 523986409 /nfs/dbraw/zinc/98/64/09/523986409.db2.gz BYEWTLJYGPOCFD-UHFFFAOYSA-N -1 3 292.360 2.166 10 0 CEAEHM Cc1cc(N2CCN(CC3CC3)CC2)ccc1C(=O)[O-] ZINC000050576621 525079974 /nfs/dbraw/zinc/07/99/74/525079974.db2.gz RYZIMGGHHKAART-UHFFFAOYSA-N -1 3 274.364 2.225 10 0 CEAEHM O=C([O-])[C@H](NCc1cccc(O)c1)c1ccccc1 ZINC000050508940 526314098 /nfs/dbraw/zinc/31/40/98/526314098.db2.gz UTGAPNGJJIZMAE-CQSZACIVSA-N -1 3 257.289 2.308 10 0 CEAEHM Cc1nc[nH]c1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000054795788 527214680 /nfs/dbraw/zinc/21/46/80/527214680.db2.gz XNEQDGIWFBJPCL-VIFPVBQESA-N -1 3 265.338 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CEAEHM O=C([O-])[C@H]1Cc2c(Br)cc(Cl)cc2CN1 ZINC000725255652 539201730 /nfs/dbraw/zinc/20/17/30/539201730.db2.gz HHDFWKKDVUHPNQ-SECBINFHSA-N -1 3 290.544 2.201 10 0 CEAEHM CC(C)(C)OC(=O)c1nn[n-]c1-c1ccsc1 ZINC000725266539 539213772 /nfs/dbraw/zinc/21/37/72/539213772.db2.gz LCZLUHWQRGTPDY-UHFFFAOYSA-N -1 3 251.311 2.489 10 0 CEAEHM CC(C)(C)OC(=O)c1[n-]nnc1-c1ccsc1 ZINC000725266539 539213773 /nfs/dbraw/zinc/21/37/73/539213773.db2.gz LCZLUHWQRGTPDY-UHFFFAOYSA-N -1 3 251.311 2.489 10 0 CEAEHM CC(C)(C)OC(=O)c1n[n-]nc1-c1ccsc1 ZINC000725266539 539213774 /nfs/dbraw/zinc/21/37/74/539213774.db2.gz LCZLUHWQRGTPDY-UHFFFAOYSA-N -1 3 251.311 2.489 10 0 CEAEHM CCn1cnc([N-]c2nc(Cl)nc(Cl)n2)c1 ZINC000116062852 344285022 /nfs/dbraw/zinc/28/50/22/344285022.db2.gz HXDMSAFIJWMSCK-UHFFFAOYSA-N -1 3 259.100 2.138 10 0 CEAEHM CS(=O)(=O)[N-]c1cc2[nH]ccc2c(Br)c1 ZINC000116157938 344285531 /nfs/dbraw/zinc/28/55/31/344285531.db2.gz QMAQBLGHWLKFPH-UHFFFAOYSA-N -1 3 289.154 2.302 10 0 CEAEHM 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CCN(Cc1cccc(OC)c1OC)[C@H](C)CC(=O)[O-] ZINC000086762772 179326116 /nfs/dbraw/zinc/32/61/16/179326116.db2.gz MJHNBTMXGIWAQU-LLVKDONJSA-N -1 3 281.352 2.389 10 0 CEAEHM C[C@H](c1cccc(O)c1)N1CCC(OCCC(=O)[O-])CC1 ZINC000086773760 179326796 /nfs/dbraw/zinc/32/67/96/179326796.db2.gz IHTNFHOCBBQDCJ-GFCCVEGCSA-N -1 3 293.363 2.409 10 0 CEAEHM C[C@H](N[C@H]1CCC[C@H](C(=O)[O-])C1)c1nccs1 ZINC000086787660 179333220 /nfs/dbraw/zinc/33/32/20/179333220.db2.gz BBLQVQQAHYBARD-GUBZILKMSA-N -1 3 254.355 2.437 10 0 CEAEHM CC(C)(C)N1C[C@@H](c2nnn[n-]2)Cc2ccccc21 ZINC000616672280 348555952 /nfs/dbraw/zinc/55/59/52/348555952.db2.gz GXSAOWPIFFNEHE-NSHDSACASA-N -1 3 257.341 2.145 10 0 CEAEHM CC(C)(C)N1C[C@@H](c2nn[n-]n2)Cc2ccccc21 ZINC000616672280 348555956 /nfs/dbraw/zinc/55/59/56/348555956.db2.gz GXSAOWPIFFNEHE-NSHDSACASA-N -1 3 257.341 2.145 10 0 CEAEHM O=C([O-])c1ccccc1[C@@H]1c2ccccc2CCN1CCO ZINC000616679853 348558817 /nfs/dbraw/zinc/55/88/17/348558817.db2.gz ZFVADHCOBVONMB-KRWDZBQOSA-N -1 3 297.354 2.325 10 0 CEAEHM C[C@]1(C(=O)[O-])COC[C@H]1Nc1ccnc2ccccc21 ZINC000090571270 180007888 /nfs/dbraw/zinc/00/78/88/180007888.db2.gz DNXMDLZQZKGJJB-HIFRSBDPSA-N -1 3 272.304 2.136 10 0 CEAEHM CCn1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000091013164 180086364 /nfs/dbraw/zinc/08/63/64/180086364.db2.gz TZAVKPHYPWZFOY-AWEZNQCLSA-N -1 3 258.321 2.424 10 0 CEAEHM CCCn1cccc1CNc1ccc2c(c1)C(=O)[N-]C2=O ZINC000091022658 180088636 /nfs/dbraw/zinc/08/86/36/180088636.db2.gz RHCUWNGBHOCBIL-UHFFFAOYSA-N -1 3 283.331 2.394 10 0 CEAEHM C[C@H]1Cc2c(OC(F)(F)F)cccc2[C@@H](C(=O)[O-])N1 ZINC000091548745 180188430 /nfs/dbraw/zinc/18/84/30/180188430.db2.gz UIQFJWACADZGOS-WKEGUHRASA-N -1 3 275.226 2.245 10 0 CEAEHM Cc1cc([N-]S(=O)(=O)c2cccc(N)c2C)ccn1 ZINC000092348758 180367475 /nfs/dbraw/zinc/36/74/75/180367475.db2.gz VTIQQXXFCUVPNJ-UHFFFAOYSA-N -1 3 277.349 2.081 10 0 CEAEHM COc1ccccc1Cc1nc(C2CC2)cc(=O)[n-]1 ZINC000109523756 186259501 /nfs/dbraw/zinc/25/95/01/186259501.db2.gz SANHBIUVETYDLW-UHFFFAOYSA-N -1 3 256.305 2.247 10 0 CEAEHM CCc1nc(Cc2cccc(OC)c2)[n-]c(=O)c1C ZINC000110466112 186297036 /nfs/dbraw/zinc/29/70/36/186297036.db2.gz WRGRLEWSWTYBJL-UHFFFAOYSA-N -1 3 258.321 2.240 10 0 CEAEHM Cc1ccc(S(=O)(=O)[N-]c2ccncc2C)c(N)c1 ZINC000111043227 186347397 /nfs/dbraw/zinc/34/73/97/186347397.db2.gz YMRNNMHYJUAIST-UHFFFAOYSA-N -1 3 277.349 2.081 10 0 CEAEHM Cc1cnccc1[N-]S(=O)(=O)c1cc(N)cc(C)c1C ZINC000111043221 186347721 /nfs/dbraw/zinc/34/77/21/186347721.db2.gz IYOBRQHLKVYHIJ-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM C[C@H](CNC(=O)Nc1cccc(Cl)c1C(=O)[O-])N(C)C ZINC000111279690 186388561 /nfs/dbraw/zinc/38/85/61/186388561.db2.gz JPLBPDCOAIPPPG-MRVPVSSYSA-N -1 3 299.758 2.110 10 0 CEAEHM Cc1cccc(C(=O)N2CCC(c3cc[nH]n3)CC2)c1[O-] ZINC000131933875 366102030 /nfs/dbraw/zinc/10/20/30/366102030.db2.gz HFVODEUMLQPZID-UHFFFAOYSA-N -1 3 285.347 2.444 10 0 CEAEHM CN(C)C[C@H](NC(=O)CCCCC(=O)[O-])c1ccccc1 ZINC000037791977 540177438 /nfs/dbraw/zinc/17/74/38/540177438.db2.gz CQRXWRRUNFKJCF-AWEZNQCLSA-N -1 3 292.379 2.051 10 0 CEAEHM [O-]c1cc(Br)c(CO)cc1OC(F)F ZINC000575682350 366327374 /nfs/dbraw/zinc/32/73/74/366327374.db2.gz RLVAFWDJRUCPGA-UHFFFAOYSA-N -1 3 269.041 2.248 10 0 CEAEHM CC(Cl)(Cl)C(=O)[N-][C@H]1COc2ccccc21 ZINC000180060583 189235323 /nfs/dbraw/zinc/23/53/23/189235323.db2.gz QFBXWKYVQHYENX-QMMMGPOBSA-N -1 3 260.120 2.430 10 0 CEAEHM Cc1cc(NCCCO)c2cc(C(=O)[O-])ccc2n1 ZINC000004226483 361306841 /nfs/dbraw/zinc/30/68/41/361306841.db2.gz POXALDGNOMHWHZ-UHFFFAOYSA-N -1 3 260.293 2.036 10 0 CEAEHM CCC[C@@H](C(=O)Nc1cccc([O-])c1F)N(C)C ZINC000180019261 368363324 /nfs/dbraw/zinc/36/33/24/368363324.db2.gz OZRBPUONNLHKBB-JTQLQIEISA-N -1 3 254.305 2.200 10 0 CEAEHM O=C(c1cccc([O-])c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000182809425 368593016 /nfs/dbraw/zinc/59/30/16/368593016.db2.gz OKZBXXVLXIEYIQ-OAHLLOKOSA-N -1 3 284.315 2.081 10 0 CEAEHM O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc2c(c1[O-])CCCC2 ZINC000183338150 368623335 /nfs/dbraw/zinc/62/33/35/368623335.db2.gz NRVILISJHSLYEZ-CABCVRRESA-N -1 3 289.375 2.304 10 0 CEAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H]2c2cnn(C)c2)n1 ZINC000248797884 371246899 /nfs/dbraw/zinc/24/68/99/371246899.db2.gz ZJAWLNCUXTZXNG-AAEUAGOBSA-N -1 3 287.367 2.122 10 0 CEAEHM Cc1cccc([N-]S(=O)(=O)CC(C)(C)C)c1O ZINC000093655249 184703980 /nfs/dbraw/zinc/70/39/80/184703980.db2.gz OIKCUUNELFMRSP-UHFFFAOYSA-N -1 3 257.355 2.488 10 0 CEAEHM CN[C@@H](C)c1ccccc1OCC(C)(C)C(=O)[O-] ZINC000093714433 184708300 /nfs/dbraw/zinc/70/83/00/184708300.db2.gz GQSWJGZERXRLIR-JTQLQIEISA-N -1 3 251.326 2.457 10 0 CEAEHM CCC(CC)(NCC(=O)N1[C@H](C)CCC[C@H]1C)C(=O)[O-] ZINC000094242614 184768846 /nfs/dbraw/zinc/76/88/46/184768846.db2.gz MCUUOGDKNHWSIN-VXGBXAGGSA-N -1 3 284.400 2.009 10 0 CEAEHM COc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[C@H]32)c1[O-] ZINC000648603761 395938356 /nfs/dbraw/zinc/93/83/56/395938356.db2.gz CHONFGVEHUQGFB-MVWJERBFSA-N -1 3 261.321 2.319 10 0 CEAEHM Cc1ccc(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)c([O-])c1 ZINC000083704034 292069849 /nfs/dbraw/zinc/06/98/49/292069849.db2.gz KDVUJBSDAZEBGK-UONOGXRCSA-N -1 3 288.391 2.399 10 0 CEAEHM C[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc([O-])cc2)C1 ZINC000230441994 153393681 /nfs/dbraw/zinc/39/36/81/153393681.db2.gz DUEDJABQJVSGFG-MNOVXSKESA-N -1 3 269.366 2.107 10 0 CEAEHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CN)cc1 ZINC000021956992 171341905 /nfs/dbraw/zinc/34/19/05/171341905.db2.gz QOTGSVHSJGKAIT-UHFFFAOYSA-N -1 3 276.361 2.255 10 0 CEAEHM COC(=O)c1ccccc1NC(=O)c1cccc([O-])c1 ZINC000035219684 172060547 /nfs/dbraw/zinc/06/05/47/172060547.db2.gz CJEIUEXYJQHDIU-UHFFFAOYSA-N -1 3 271.272 2.431 10 0 CEAEHM C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)c1ccncc1 ZINC000035693515 172362300 /nfs/dbraw/zinc/36/23/00/172362300.db2.gz PLXNJNYSCYCJQR-VIFPVBQESA-N -1 3 297.767 2.170 10 0 CEAEHM O=C([O-])[C@@H](NC1CC1)c1ccccc1Br ZINC000037183714 173015653 /nfs/dbraw/zinc/01/56/53/173015653.db2.gz NWTAGEVIIYPWKD-JTQLQIEISA-N -1 3 270.126 2.327 10 0 CEAEHM NCc1ccc(S(=O)(=O)[N-]CC2CCCCC2)s1 ZINC000037260115 173069674 /nfs/dbraw/zinc/06/96/74/173069674.db2.gz YZXGAMWBVVICJO-UHFFFAOYSA-N -1 3 288.438 2.065 10 0 CEAEHM CC1CCN(CC(=O)c2cc(F)ccc2[O-])CC1 ZINC000037332141 173133304 /nfs/dbraw/zinc/13/33/04/173133304.db2.gz RDNKYLVBWQNZJJ-UHFFFAOYSA-N -1 3 251.301 2.446 10 0 CEAEHM CN(CCc1ccccn1)Cc1ccoc1C(=O)[O-] ZINC000037333452 173134746 /nfs/dbraw/zinc/13/47/46/173134746.db2.gz OTIMALJUCZTYRX-UHFFFAOYSA-N -1 3 260.293 2.047 10 0 CEAEHM CC(C)[C@@H](C)N(C)CC(=O)c1ccc([O-])cc1O ZINC000037338981 173140534 /nfs/dbraw/zinc/14/05/34/173140534.db2.gz KYUFFKQERKMYML-SNVBAGLBSA-N -1 3 251.326 2.257 10 0 CEAEHM COc1cccc2c(=O)c(C(=O)Nc3ccncc3)c[n-]c12 ZINC000039962841 174179772 /nfs/dbraw/zinc/17/97/72/174179772.db2.gz UJDXUWXGMQKADS-UHFFFAOYSA-N -1 3 295.298 2.184 10 0 CEAEHM CCCC[C@H](N)C(=O)N(CCC(=O)[O-])c1ccc(C)cc1 ZINC000040483790 174286809 /nfs/dbraw/zinc/28/68/09/174286809.db2.gz FBQPFTBRGSUUIY-AWEZNQCLSA-N -1 3 292.379 2.320 10 0 CEAEHM CC[C@@H](C)NCC(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000040484774 174288060 /nfs/dbraw/zinc/28/80/60/174288060.db2.gz QAUPQBPVBFLWHE-SNVBAGLBSA-N -1 3 298.770 2.146 10 0 CEAEHM Cc1cc(Nc2ncnc([N-]c3nccs3)c2N)no1 ZINC000040680987 174375427 /nfs/dbraw/zinc/37/54/27/174375427.db2.gz NPBCFCFCXZREIQ-UHFFFAOYSA-N -1 3 289.324 2.299 10 0 CEAEHM Cc1nc(-c2cc(F)c(F)c(F)c2)[n-]c(=O)c1C ZINC000043391794 175034045 /nfs/dbraw/zinc/03/40/45/175034045.db2.gz RFASUFBTTATBQQ-UHFFFAOYSA-N -1 3 254.211 2.471 10 0 CEAEHM CCNCc1cccc(OCC)c1O[C@H](C)C(=O)[O-] ZINC000043624536 175081447 /nfs/dbraw/zinc/08/14/47/175081447.db2.gz MLFXOXHLTOFRFH-SNVBAGLBSA-N -1 3 267.325 2.047 10 0 CEAEHM CCN(CCOC)Cc1sccc1/C=C/C(=O)[O-] ZINC000043684715 175093209 /nfs/dbraw/zinc/09/32/09/175093209.db2.gz PTEKFWSDRKZFIF-SNAWJCMRSA-N -1 3 269.366 2.314 10 0 CEAEHM C[C@H](CNc1cc(C(=O)[O-])ccn1)N1CCCCC1 ZINC000045010986 175290043 /nfs/dbraw/zinc/29/00/43/175290043.db2.gz YBSQNQNYNZZFQI-LLVKDONJSA-N -1 3 263.341 2.066 10 0 CEAEHM C[C@H]([N-]S(=O)(=O)c1cnccc1Cl)c1ccccn1 ZINC000071203577 176078802 /nfs/dbraw/zinc/07/88/02/176078802.db2.gz SVXPBZJZRZEWGT-VIFPVBQESA-N -1 3 297.767 2.170 10 0 CEAEHM CC(C)(C)N1CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000071265031 176098776 /nfs/dbraw/zinc/09/87/76/176098776.db2.gz BCEJIVIBIUIWOP-UHFFFAOYSA-N -1 3 294.370 2.440 10 0 CEAEHM O=C([O-])CCCCCN1CCO[C@H]2CCCC[C@H]21 ZINC000071286627 176109891 /nfs/dbraw/zinc/10/98/91/176109891.db2.gz XOLHVGUDBLBPSJ-OLZOCXBDSA-N -1 3 255.358 2.275 10 0 CEAEHM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1Cl)N(C)C ZINC000071394314 176149377 /nfs/dbraw/zinc/14/93/77/176149377.db2.gz AINWXBXORAKZTE-MRVPVSSYSA-N -1 3 299.758 2.110 10 0 CEAEHM COc1ccc(Cl)cc1[C@@H](NCC1CC1)C(=O)[O-] ZINC000076404967 177018706 /nfs/dbraw/zinc/01/87/06/177018706.db2.gz CJAZRXPDLKQRAO-GFCCVEGCSA-N -1 3 269.728 2.474 10 0 CEAEHM CC(C)C[C@H](CN(C)C)NC(=O)c1ccc([O-])cc1F ZINC000226270624 279132546 /nfs/dbraw/zinc/13/25/46/279132546.db2.gz UDCNSAWZCXSMGD-LLVKDONJSA-N -1 3 282.359 2.237 10 0 CEAEHM C[C@@H]1COC[C@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000335336309 288377068 /nfs/dbraw/zinc/37/70/68/288377068.db2.gz HDPVPMZSKZHEJY-DTORHVGOSA-N -1 3 269.728 2.295 10 0 CEAEHM CC(C)(C)N1CCN(c2cc(C(=O)[O-])cc(Cl)n2)CC1 ZINC000048946269 518712187 /nfs/dbraw/zinc/71/21/87/518712187.db2.gz XHHWPLJIUPBIJJ-UHFFFAOYSA-N -1 3 297.786 2.354 10 0 CEAEHM CCCOc1ccc(-c2nc(COC)cc(=O)[n-]2)cc1 ZINC000052919489 520316662 /nfs/dbraw/zinc/31/66/62/520316662.db2.gz CIHPDSUUPBIEQN-UHFFFAOYSA-N -1 3 274.320 2.372 10 0 CEAEHM CCN(CC(=O)Nc1ccc(Cl)cc1)[C@H](C)CC(=O)[O-] ZINC000061183207 520356626 /nfs/dbraw/zinc/35/66/26/520356626.db2.gz RMJHMZWZQRBSPP-SNVBAGLBSA-N -1 3 298.770 2.464 10 0 CEAEHM CC1(C)CN([C@H](CC(=O)[O-])c2ccccc2)CCO1 ZINC000062752649 520493177 /nfs/dbraw/zinc/49/31/77/520493177.db2.gz NABZOVXQGYXXTG-CYBMUJFWSA-N -1 3 263.337 2.313 10 0 CEAEHM CCCC[C@H](N)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000061564392 521214408 /nfs/dbraw/zinc/21/44/08/521214408.db2.gz YJHNOSJNEZJXFG-JTQLQIEISA-N -1 3 286.278 2.119 10 0 CEAEHM COCC[C@H](Nc1cc(C)nc2ccccc21)C(=O)[O-] ZINC000052786245 521978960 /nfs/dbraw/zinc/97/89/60/521978960.db2.gz QLNFTIHJFZFZMA-ZDUSSCGKSA-N -1 3 274.320 2.445 10 0 CEAEHM CNc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cn1 ZINC000050662708 522635792 /nfs/dbraw/zinc/63/57/92/522635792.db2.gz ICTDOQYGKRDQGM-UHFFFAOYSA-N -1 3 299.302 2.202 10 0 CEAEHM CCn1cc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000050510346 523460210 /nfs/dbraw/zinc/46/02/10/523460210.db2.gz CWEIUGVYUBPUIL-RISCZKNCSA-N -1 3 273.336 2.380 10 0 CEAEHM COC(=O)[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000050512818 523621629 /nfs/dbraw/zinc/62/16/29/523621629.db2.gz NLIUCEOGMWKAJW-AWEZNQCLSA-N -1 3 285.299 2.036 10 0 CEAEHM C[C@@H]1CN(CCCOc2cccc(C(=O)[O-])c2)CCCO1 ZINC000062757225 524952328 /nfs/dbraw/zinc/95/23/28/524952328.db2.gz XJGOFCJCCDCQNF-CYBMUJFWSA-N -1 3 293.363 2.265 10 0 CEAEHM O=C([O-])[C@H](NCc1sccc1Br)C1CC1 ZINC000054522239 526313921 /nfs/dbraw/zinc/31/39/21/526313921.db2.gz VEKKYIOROVAZLU-SECBINFHSA-N -1 3 290.182 2.463 10 0 CEAEHM Cc1nccn1C[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000182562010 527442436 /nfs/dbraw/zinc/44/24/36/527442436.db2.gz SJBVZGRKOMEOHY-AWEZNQCLSA-N -1 3 285.347 2.202 10 0 CEAEHM O=c1ccn(Cc2ccc(F)cc2F)c(=S)[n-]1 ZINC000052312951 527491238 /nfs/dbraw/zinc/49/12/38/527491238.db2.gz YKXKQVTUUKOKFD-UHFFFAOYSA-N -1 3 254.261 2.232 10 0 CEAEHM Cn1ncc2c1CCC[C@@H]2N[C@H](C(=O)[O-])c1ccccc1 ZINC000050509493 527579345 /nfs/dbraw/zinc/57/93/45/527579345.db2.gz MOVGIWNTKGHDFY-ZFWWWQNUSA-N -1 3 285.347 2.213 10 0 CEAEHM O=C([O-])[C@@H](NCc1coc(-c2cccc(F)c2)n1)C1CC1 ZINC000054522891 527655565 /nfs/dbraw/zinc/65/55/65/527655565.db2.gz MTVFYEZTADGNBR-ZDUSSCGKSA-N -1 3 290.294 2.434 10 0 CEAEHM CC(C)N1C[C@H](C(=O)[O-])[C@H](c2cc(F)cc(F)c2)C1 ZINC000757193354 574512147 /nfs/dbraw/zinc/51/21/47/574512147.db2.gz SWTAYIOQIBNSQJ-STQMWFEESA-N -1 3 269.291 2.473 10 0 CEAEHM CCN1C[C@@H](C(=O)[O-])[C@@H](c2cc(F)ccc2F)C1 ZINC000757187718 631831106 /nfs/dbraw/zinc/83/11/06/631831106.db2.gz GWBMUMIMJLKGRW-GHMZBOCLSA-N -1 3 255.264 2.085 10 0 CEAEHM 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COC(=O)COc1ccc2ccc([O-])c(C(C)=O)c2c1 ZINC000167107827 344477777 /nfs/dbraw/zinc/47/77/77/344477777.db2.gz ZIUJFRKASYCVJQ-UHFFFAOYSA-N -1 3 274.272 2.300 10 0 CEAEHM CC(C)(C)OC(=O)N1CCc2[n-]c(=S)oc2C1 ZINC000232494473 344578048 /nfs/dbraw/zinc/57/80/48/344578048.db2.gz WUOZQFVKLGUZQA-UHFFFAOYSA-N -1 3 256.327 2.257 10 0 CEAEHM C[C@@H]1CCCN(Cc2ccc(S(=O)(=O)[O-])cc2)C1 ZINC000058824800 362640008 /nfs/dbraw/zinc/64/00/08/362640008.db2.gz SYLHDZZMOLMYQX-LLVKDONJSA-N -1 3 269.366 2.165 10 0 CEAEHM C[C@@H]1[C@@H](C)CC[C@@H]1[N-]S(=O)(=O)c1cnccc1Cl ZINC000086075271 179225062 /nfs/dbraw/zinc/22/50/62/179225062.db2.gz QBABLCFVTZNNAS-NGZCFLSTSA-N -1 3 288.800 2.448 10 0 CEAEHM COCc1cc(=O)[n-]c(-c2cc(Cl)cs2)n1 ZINC000086333711 179273545 /nfs/dbraw/zinc/27/35/45/179273545.db2.gz JCQFMIYGBPBVSD-UHFFFAOYSA-N -1 3 256.714 2.298 10 0 CEAEHM C[C@H](Nc1ccc2c(c1)C(=O)[N-]C2=O)c1nccs1 ZINC000086507871 179304223 /nfs/dbraw/zinc/30/42/23/179304223.db2.gz SCLLGEQWIDPKDA-ZETCQYMHSA-N -1 3 273.317 2.200 10 0 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254.030 2.338 10 0 CEAEHM C[C@H]1N(C(=O)c2cc([O-])ccc2F)CCOC1(C)C ZINC000336190160 213009253 /nfs/dbraw/zinc/00/92/53/213009253.db2.gz MIFQOSGBIDGUEE-SECBINFHSA-N -1 3 267.300 2.171 10 0 CEAEHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2)o1 ZINC000301757058 201180139 /nfs/dbraw/zinc/18/01/39/201180139.db2.gz JLXPAHCLSRAGLJ-SECBINFHSA-N -1 3 284.312 2.162 10 0 CEAEHM COC(=O)[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1Cl ZINC000234528447 291321368 /nfs/dbraw/zinc/32/13/68/291321368.db2.gz MMAWJIVISCEFJB-LBPRGKRZSA-N -1 3 297.738 2.213 10 0 CEAEHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2F)o1 ZINC000226555963 370346220 /nfs/dbraw/zinc/34/62/20/370346220.db2.gz UMRJUAXCKKJEEF-SECBINFHSA-N -1 3 284.312 2.162 10 0 CEAEHM C[C@@H](CN(C)Cc1oncc1C(=O)[O-])C(C)(C)C ZINC000399554566 375366178 /nfs/dbraw/zinc/36/61/78/375366178.db2.gz DLULKRYVWFFMCB-VIFPVBQESA-N -1 3 254.330 2.487 10 0 CEAEHM C[C@H]1OCCC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000190082548 542333965 /nfs/dbraw/zinc/33/39/65/542333965.db2.gz 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ZINC000061317987 521941587 /nfs/dbraw/zinc/94/15/87/521941587.db2.gz YDLZSMWXRPIUNB-UHFFFAOYSA-N -1 3 286.331 2.475 10 0 CEAEHM CC[C@H](CC(=O)[O-])N1CCc2cc(OC)c(OC)cc2C1 ZINC000062750513 522111254 /nfs/dbraw/zinc/11/12/54/522111254.db2.gz KWWKFABKYANCMW-CYBMUJFWSA-N -1 3 293.363 2.315 10 0 CEAEHM CNc1ccc(Cl)c(C(=O)[N-]c2cnoc2)n1 ZINC000061686016 522620890 /nfs/dbraw/zinc/62/08/90/522620890.db2.gz OHERYDZUKAASQB-UHFFFAOYSA-N -1 3 252.661 2.017 10 0 CEAEHM CCn1c(=O)[n-]nc1Sc1cccc(F)c1[C@H](C)NC ZINC000061595864 523096768 /nfs/dbraw/zinc/09/67/68/523096768.db2.gz NFWZIMKONNNADR-QMMMGPOBSA-N -1 3 296.371 2.162 10 0 CEAEHM CN1CCC[C@H](Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000054529353 523843786 /nfs/dbraw/zinc/84/37/86/523843786.db2.gz KVNBGTJIXYUXDJ-JTQLQIEISA-N -1 3 252.289 2.030 10 0 CEAEHM Cc1ccc(Cc2nc3c(c(=O)[n-]2)CCC3)cc1C ZINC000061681391 524693785 /nfs/dbraw/zinc/69/37/85/524693785.db2.gz IOMLFGOVIKIEJM-UHFFFAOYSA-N -1 3 254.333 2.466 10 0 CEAEHM Cc1ccc([O-])c(C(=O)NCc2ccccc2N)c1 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CC[C@H](CC(=O)[O-])N1CCN(Cc2ccccc2)CC1 ZINC000062750500 522112109 /nfs/dbraw/zinc/11/21/09/522112109.db2.gz DMZIXFOPQPZAOI-OAHLLOKOSA-N -1 3 276.380 2.058 10 0 CEAEHM CN(C(=O)CN1CCCC[C@H]1CCC(=O)[O-])C1=CCCC1 ZINC000050924269 523818207 /nfs/dbraw/zinc/81/82/07/523818207.db2.gz DAUNGOVOVXTUKU-AWEZNQCLSA-N -1 3 294.395 2.232 10 0 CEAEHM COc1ccccc1CN(C)[C@@H](C)CCC(=O)[O-] ZINC000050956857 524438100 /nfs/dbraw/zinc/43/81/00/524438100.db2.gz SMCWZAWDPFZRPL-NSHDSACASA-N -1 3 251.326 2.380 10 0 CEAEHM COc1ccc([O-])c(C(=O)Nc2ccccc2CO)c1 ZINC000049362356 524732431 /nfs/dbraw/zinc/73/24/31/524732431.db2.gz QPQWIFMLQBVWQA-UHFFFAOYSA-N -1 3 273.288 2.145 10 0 CEAEHM C[C@H](Cc1ccco1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000062769634 524749000 /nfs/dbraw/zinc/74/90/00/524749000.db2.gz MGAPYMRQUMKJDD-SECBINFHSA-N -1 3 270.288 2.206 10 0 CEAEHM C[C@@H](Cc1ccco1)Nc1cccc2c(=O)[n-][nH]c(=O)c12 ZINC000062769549 524929352 /nfs/dbraw/zinc/92/93/52/524929352.db2.gz WUWQUVFDRCQROM-VIFPVBQESA-N -1 3 285.303 2.265 10 0 CEAEHM C[C@@H](NS(=O)(=O)c1ccc([O-])cc1)c1ccsc1 ZINC000061369037 525576658 /nfs/dbraw/zinc/57/66/58/525576658.db2.gz BMXKQKHWCROXEI-SECBINFHSA-N -1 3 283.374 2.493 10 0 CEAEHM CSC[C@@H](C)CNC(=O)c1cc(C)ccc1[O-] ZINC000069455988 525620436 /nfs/dbraw/zinc/62/04/36/525620436.db2.gz CHBITUSHFRGTTB-JTQLQIEISA-N -1 3 253.367 2.430 10 0 CEAEHM Cc1ccc([C@@H](C)NCC(=O)[N-]OCc2ccccc2)o1 ZINC000183084219 525723086 /nfs/dbraw/zinc/72/30/86/525723086.db2.gz FQOUPXZEPSFCTD-CYBMUJFWSA-N -1 3 288.347 2.487 10 0 CEAEHM O=C([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)c(F)c1 ZINC000054530920 526379572 /nfs/dbraw/zinc/37/95/72/526379572.db2.gz QWEFJXDEMWMMIO-SNVBAGLBSA-N -1 3 264.300 2.173 10 0 CEAEHM Cc1nc(CNc2ccc(-c3cc(=O)[nH][n-]3)cc2)c[nH]1 ZINC000054821899 526895453 /nfs/dbraw/zinc/89/54/53/526895453.db2.gz SGFBYKBGNAWIRK-UHFFFAOYSA-N -1 3 269.308 2.426 10 0 CEAEHM Cc1ncc(CNc2ccc(-c3cc(=O)[nH][n-]3)cc2)[nH]1 ZINC000054821899 526895456 /nfs/dbraw/zinc/89/54/56/526895456.db2.gz SGFBYKBGNAWIRK-UHFFFAOYSA-N -1 3 269.308 2.426 10 0 CEAEHM CC(C)N1C[C@@H](c2cc(F)cc(F)c2)[C@H](C(=O)[O-])C1 ZINC000757193353 574512120 /nfs/dbraw/zinc/51/21/20/574512120.db2.gz SWTAYIOQIBNSQJ-QWHCGFSZSA-N -1 3 269.291 2.473 10 0 CEAEHM Cc1n[nH]cc1[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000255143575 623181001 /nfs/dbraw/zinc/18/10/01/623181001.db2.gz OMJBWKSWLKCZTI-FPLPWBNLSA-N -1 3 263.322 2.131 10 0 CEAEHM CC(=O)c1cc(CNC(=O)OC(C)(C)C)ncc1[O-] ZINC000095773758 185028387 /nfs/dbraw/zinc/02/83/87/185028387.db2.gz XAMGITFRJRPUAA-UHFFFAOYSA-N -1 3 266.297 2.015 10 0 CEAEHM COC(=O)c1cc([O-])c2c(cc(O)c(OC)c2OC)c1 ZINC000095937617 185034630 /nfs/dbraw/zinc/03/46/30/185034630.db2.gz XPFUTFKDHUQOFU-UHFFFAOYSA-N -1 3 278.260 2.055 10 0 CEAEHM COc1cc(OCc2ccccc2)cc2c1[N-]C(=O)C2=O ZINC000044699976 343477352 /nfs/dbraw/zinc/47/73/52/343477352.db2.gz RHAXQCWXCQMIFK-UHFFFAOYSA-N -1 3 283.283 2.409 10 0 CEAEHM O=S(=O)(c1n[n-]c2ccccc21)c1ccccc1 ZINC000048643397 362293989 /nfs/dbraw/zinc/29/39/89/362293989.db2.gz JVNLPNNZJMCKLB-UHFFFAOYSA-N -1 3 258.302 2.396 10 0 CEAEHM Cn1nc(-c2ccc(Br)o2)[n-]c1=S ZINC000127733655 344331135 /nfs/dbraw/zinc/33/11/35/344331135.db2.gz GVRLWQACANZRGR-UHFFFAOYSA-N -1 3 260.116 2.126 10 0 CEAEHM CCN(c1ccc(C)c(C)c1)c1cc(=O)[n-]c(N)n1 ZINC000584634268 344970553 /nfs/dbraw/zinc/97/05/53/344970553.db2.gz MWTLWQIEMGXHJK-UHFFFAOYSA-N -1 3 258.325 2.370 10 0 CEAEHM CN(C)Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000085411518 179057211 /nfs/dbraw/zinc/05/72/11/179057211.db2.gz HMJATDAWCJUHQF-OLZOCXBDSA-N -1 3 290.363 2.044 10 0 CEAEHM Cc1ccc(Cl)c(NC(=O)[C@H](N)CC(=O)[O-])c1Cl ZINC000085810867 179177855 /nfs/dbraw/zinc/17/78/55/179177855.db2.gz CIYLTELPIBOECQ-SSDOTTSWSA-N -1 3 291.134 2.042 10 0 CEAEHM N[C@H](CCC(=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC000085818738 179181245 /nfs/dbraw/zinc/18/12/45/179181245.db2.gz LXNUOYRFKGVUQS-SSDOTTSWSA-N -1 3 291.134 2.124 10 0 CEAEHM COc1ccc([C@@H](C)N2CCC(OCC(=O)[O-])CC2)cc1 ZINC000086773529 179326649 /nfs/dbraw/zinc/32/66/49/179326649.db2.gz NCDLSVCIMAOIAT-GFCCVEGCSA-N -1 3 293.363 2.322 10 0 CEAEHM C[C@@H](c1nc2ccccc2n1C)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000086774630 179327397 /nfs/dbraw/zinc/32/73/97/179327397.db2.gz CDYRCHNQHFYHHJ-WOPDTQHZSA-N -1 3 287.363 2.287 10 0 CEAEHM O=C([O-])C[C@H]1CCCN([C@@H]2COc3cc(O)ccc32)C1 ZINC000086757298 179323275 /nfs/dbraw/zinc/32/32/75/179323275.db2.gz XXAPDHCNHNTEDL-ZWNOBZJWSA-N -1 3 277.320 2.012 10 0 CEAEHM C[C@@H]1CCC[C@@](O)(CNC(=O)c2ccccc2[O-])C1 ZINC000087071743 179391954 /nfs/dbraw/zinc/39/19/54/179391954.db2.gz HJIZFFLGLOXQAP-ABAIWWIYSA-N -1 3 263.337 2.063 10 0 CEAEHM CCOC(=O)c1c([O-])[nH]c(-c2ccccc2F)cc1=O ZINC000616593315 348527914 /nfs/dbraw/zinc/52/79/14/348527914.db2.gz VJDMBZRRTMPCON-UHFFFAOYSA-N -1 3 277.251 2.476 10 0 CEAEHM CC(=O)[N-]C(=O)c1ccc(Br)c(Cl)c1 ZINC000088126476 179553022 /nfs/dbraw/zinc/55/30/22/179553022.db2.gz FKCQODYZYOQSDO-UHFFFAOYSA-N -1 3 276.517 2.379 10 0 CEAEHM C[C@@H]1CCCCC[C@H]1[N-]S(=O)(=O)c1ccc(CO)o1 ZINC000088552418 179621160 /nfs/dbraw/zinc/62/11/60/179621160.db2.gz PSNMENKJMHBBBT-ZYHUDNBSSA-N -1 3 287.381 2.019 10 0 CEAEHM Nc1ccsc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000090959914 180075631 /nfs/dbraw/zinc/07/56/31/180075631.db2.gz MCQMXYJLPJFAOH-UHFFFAOYSA-N -1 3 272.337 2.123 10 0 CEAEHM Nc1ccsc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000090959914 180075632 /nfs/dbraw/zinc/07/56/32/180075632.db2.gz MCQMXYJLPJFAOH-UHFFFAOYSA-N -1 3 272.337 2.123 10 0 CEAEHM Nc1ccc2c(c1)CN(C(=O)c1cccc([O-])c1)C2 ZINC000091501946 180175530 /nfs/dbraw/zinc/17/55/30/180175530.db2.gz JGTJSDLTXXGRPR-UHFFFAOYSA-N -1 3 254.289 2.130 10 0 CEAEHM CCN(CCOC)Cc1cccc(/C=C\C(=O)[O-])c1 ZINC000105220915 186047594 /nfs/dbraw/zinc/04/75/94/186047594.db2.gz YQRTXRAPICYYFN-FPLPWBNLSA-N -1 3 263.337 2.253 10 0 CEAEHM CCN(CCOC)Cc1ccccc1/C=C\C(=O)[O-] ZINC000105220899 186047776 /nfs/dbraw/zinc/04/77/76/186047776.db2.gz DZAVGQSYIBXZLO-HJWRWDBZSA-N -1 3 263.337 2.253 10 0 CEAEHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(C(C)(C)C)CC1 ZINC000091781088 180253261 /nfs/dbraw/zinc/25/32/61/180253261.db2.gz WBUYQIDUVHHCCN-LLVKDONJSA-N -1 3 280.368 2.455 10 0 CEAEHM CC[C@@H]1CN([C@@H](C)c2ccc(C(=O)[O-])o2)CCN1C ZINC000091782573 180255127 /nfs/dbraw/zinc/25/51/27/180255127.db2.gz ZSTXCXUNKPYHCC-WDEREUQCSA-N -1 3 266.341 2.065 10 0 CEAEHM CCOC(=O)c1nc(C(C)(C)c2ccccc2)n[n-]1 ZINC000109605548 186267233 /nfs/dbraw/zinc/26/72/33/186267233.db2.gz KRXYYIAMPPYQFL-UHFFFAOYSA-N -1 3 259.309 2.307 10 0 CEAEHM CCOC(=O)c1nnc(C(C)(C)c2ccccc2)[n-]1 ZINC000109605548 186267235 /nfs/dbraw/zinc/26/72/35/186267235.db2.gz KRXYYIAMPPYQFL-UHFFFAOYSA-N -1 3 259.309 2.307 10 0 CEAEHM CCOC(=O)c1n[n-]c(C(C)(C)c2ccccc2)n1 ZINC000109605548 186267237 /nfs/dbraw/zinc/26/72/37/186267237.db2.gz KRXYYIAMPPYQFL-UHFFFAOYSA-N -1 3 259.309 2.307 10 0 CEAEHM CCCc1c(N)nc(Cc2ccccc2F)[n-]c1=O ZINC000110472975 186297759 /nfs/dbraw/zinc/29/77/59/186297759.db2.gz HYMOXXYYAAAQRR-UHFFFAOYSA-N -1 3 261.300 2.035 10 0 CEAEHM CCCc1c(N)nc(-c2cc(F)cc(F)c2)[n-]c1=O ZINC000110472993 186297910 /nfs/dbraw/zinc/29/79/10/186297910.db2.gz RAZSYYIRIRYBDH-UHFFFAOYSA-N -1 3 265.263 2.250 10 0 CEAEHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1ncc[nH]1 ZINC000110537156 186301594 /nfs/dbraw/zinc/30/15/94/186301594.db2.gz BIGPIJARIDJXDC-VMPITWQZSA-N -1 3 283.740 2.476 10 0 CEAEHM COc1ccc(C(C)=O)cc1CN1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000111255340 186380010 /nfs/dbraw/zinc/38/00/10/186380010.db2.gz VLNNQVJJOAFXIF-HZMBPMFUSA-N -1 3 291.347 2.050 10 0 CEAEHM CC(C)c1ccc([C@H](C)NCc2nc(=O)[n-][nH]2)cc1 ZINC000271591196 191229425 /nfs/dbraw/zinc/22/94/25/191229425.db2.gz FSXPFHQAQWLIBL-JTQLQIEISA-N -1 3 260.341 2.072 10 0 CEAEHM CC(C)c1ccc([C@@H](C)NCc2nc(=O)[n-][nH]2)cc1 ZINC000271591198 191229447 /nfs/dbraw/zinc/22/94/47/191229447.db2.gz FSXPFHQAQWLIBL-SNVBAGLBSA-N -1 3 260.341 2.072 10 0 CEAEHM CCCCCOc1ccc([C@H](N)C(=O)[O-])cc1OC ZINC000004227601 361306438 /nfs/dbraw/zinc/30/64/38/361306438.db2.gz ZJDGQLYCUZWERW-ZDUSSCGKSA-N -1 3 267.325 2.349 10 0 CEAEHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116119489 365037451 /nfs/dbraw/zinc/03/74/51/365037451.db2.gz IUYJCSABOFYRTK-GFCCVEGCSA-N -1 3 285.347 2.064 10 0 CEAEHM CCOC(=O)c1c([O-])ccc(F)c1Br ZINC000259789604 371628860 /nfs/dbraw/zinc/62/88/60/371628860.db2.gz IASOPRJKWFJPSN-UHFFFAOYSA-N -1 3 263.062 2.471 10 0 CEAEHM C[C@H]1OCC[C@@H]1NCc1cccc([O-])c1Br ZINC000315058182 376791879 /nfs/dbraw/zinc/79/18/79/376791879.db2.gz ULMYCAAAUXCTQT-SCZZXKLOSA-N -1 3 286.169 2.422 10 0 CEAEHM CCc1ccc(CNc2nc3nncc-3c(O)[n-]2)cc1 ZINC000302835091 379463326 /nfs/dbraw/zinc/46/33/26/379463326.db2.gz UPOKYTVTGAWQGX-UHFFFAOYSA-N -1 3 269.308 2.233 10 0 CEAEHM O=C([O-])c1ccc(CNCCc2cccc(F)c2)nc1 ZINC000094759908 184855402 /nfs/dbraw/zinc/85/54/02/184855402.db2.gz WLYBEVBWOKEPET-UHFFFAOYSA-N -1 3 274.295 2.251 10 0 CEAEHM O=c1[n-]c([C@H]2CSCCS2)nc2c1CCCC2 ZINC000094496236 184810475 /nfs/dbraw/zinc/81/04/75/184810475.db2.gz FNZAXDWXYJLCIV-SNVBAGLBSA-N -1 3 268.407 2.170 10 0 CEAEHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCO[C@H]3C)[n-]2)o1 ZINC000190633169 130128836 /nfs/dbraw/zinc/12/88/36/130128836.db2.gz CTIDXMSEOWQNIZ-UWVGGRQHSA-N -1 3 290.323 2.127 10 0 CEAEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCCO[C@H]3C)n2)o1 ZINC000190633169 130128838 /nfs/dbraw/zinc/12/88/38/130128838.db2.gz CTIDXMSEOWQNIZ-UWVGGRQHSA-N -1 3 290.323 2.127 10 0 CEAEHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCCO[C@H]3C)n[n-]2)o1 ZINC000190633169 130128840 /nfs/dbraw/zinc/12/88/40/130128840.db2.gz CTIDXMSEOWQNIZ-UWVGGRQHSA-N -1 3 290.323 2.127 10 0 CEAEHM O=C([O-])CC1(CN2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000088255944 135053559 /nfs/dbraw/zinc/05/35/59/135053559.db2.gz FWLHNNHPIRTEDQ-UHFFFAOYSA-N -1 3 292.354 2.203 10 0 CEAEHM C[C@H]1CSCCN1c1cc2c(cc1Cl)C(=O)C(=O)[N-]2 ZINC000092772717 135077654 /nfs/dbraw/zinc/07/76/54/135077654.db2.gz LLAOGXMQQBAGBI-ZETCQYMHSA-N -1 3 296.779 2.417 10 0 CEAEHM O=C([O-])/C=C/c1ccccc1N1CCN2CCCC[C@@H]2C1 ZINC000094440038 135087800 /nfs/dbraw/zinc/08/78/00/135087800.db2.gz UNSKPQGRPAZSGZ-XVJNWHFHSA-N -1 3 286.375 2.459 10 0 CEAEHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCO[C@H]3C)[n-]2)o1 ZINC000190633150 395341607 /nfs/dbraw/zinc/34/16/07/395341607.db2.gz CTIDXMSEOWQNIZ-VHSXEESVSA-N -1 3 290.323 2.127 10 0 CEAEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCCO[C@H]3C)n2)o1 ZINC000190633150 395341609 /nfs/dbraw/zinc/34/16/09/395341609.db2.gz CTIDXMSEOWQNIZ-VHSXEESVSA-N -1 3 290.323 2.127 10 0 CEAEHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCCO[C@H]3C)n[n-]2)o1 ZINC000190633150 395341612 /nfs/dbraw/zinc/34/16/12/395341612.db2.gz CTIDXMSEOWQNIZ-VHSXEESVSA-N -1 3 290.323 2.127 10 0 CEAEHM CC(C)C[C@@H](C[NH2+]Cc1cc([O-])cc(F)c1)C(=O)[O-] ZINC000263030397 154007477 /nfs/dbraw/zinc/00/74/77/154007477.db2.gz GXUOWAHZQWYGOO-NSHDSACASA-N -1 3 269.316 2.368 10 0 CEAEHM CC(=O)Cc1nn(-c2ccc(F)cc2)c(=S)[n-]1 ZINC000005831412 170145165 /nfs/dbraw/zinc/14/51/65/170145165.db2.gz IDLVEEDTZVXRBI-UHFFFAOYSA-N -1 3 251.286 2.200 10 0 CEAEHM Cc1ccc([C@@H](C)N2CCN(CC(=O)[O-])CC2)cc1C ZINC000022793900 171399525 /nfs/dbraw/zinc/39/95/25/171399525.db2.gz OVFTVTWIWGFMOK-CQSZACIVSA-N -1 3 276.380 2.067 10 0 CEAEHM C[C@H](NC(=O)c1ccc([O-])cc1)c1ccc(N)cc1 ZINC000037177401 173010917 /nfs/dbraw/zinc/01/09/17/173010917.db2.gz ATWCPWWAHPSWMN-JTQLQIEISA-N -1 3 256.305 2.465 10 0 CEAEHM C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([O-])cc2)C1 ZINC000037257193 173067403 /nfs/dbraw/zinc/06/74/03/173067403.db2.gz AEMIXXYFQFWDCB-WDEREUQCSA-N -1 3 269.366 2.249 10 0 CEAEHM Cn1ccc(S(=O)(=O)[N-]c2cc(N)ccc2Cl)c1 ZINC000038033742 174031374 /nfs/dbraw/zinc/03/13/74/174031374.db2.gz TVVGKLCPPZUISN-UHFFFAOYSA-N -1 3 285.756 2.062 10 0 CEAEHM Cc1csc(CN[C@@H](C)c2c(C)nc(C)[n-]c2=O)n1 ZINC000038091155 174104629 /nfs/dbraw/zinc/10/46/29/174104629.db2.gz VPHDUTZYWHQJCV-QMMMGPOBSA-N -1 3 278.381 2.002 10 0 CEAEHM [O-][C@@]1(C(F)(F)C(F)F)CC(c2ccccc2)=NO1 ZINC000038273333 174138388 /nfs/dbraw/zinc/13/83/88/174138388.db2.gz NGGXPXGLASJLDI-JTQLQIEISA-N -1 3 263.190 2.400 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000040469527 174277398 /nfs/dbraw/zinc/27/73/98/174277398.db2.gz FUNZGXVKRWBDNC-HQJQHLMTSA-N -1 3 284.743 2.350 10 0 CEAEHM CCC1CCC(NC(=O)C2(N)CCCCC2)(C(=O)[O-])CC1 ZINC000040481427 174285192 /nfs/dbraw/zinc/28/51/92/174285192.db2.gz CVMFUYWXQJXHKL-UHFFFAOYSA-N -1 3 296.411 2.188 10 0 CEAEHM CC[C@@H](C)[C@H](N)C(=O)N(CCC(=O)[O-])c1ccc(C)cc1 ZINC000040483743 174287081 /nfs/dbraw/zinc/28/70/81/174287081.db2.gz RMAGTFJOOKQFEN-DOMZBBRYSA-N -1 3 292.379 2.176 10 0 CEAEHM Cc1cc([N-]c2ncnc(Oc3cccnc3)c2N)no1 ZINC000040681105 174375106 /nfs/dbraw/zinc/37/51/06/174375106.db2.gz IFWVXEPFAKZYKL-UHFFFAOYSA-N -1 3 284.279 2.286 10 0 CEAEHM CN1CCC[C@@H](n2cnc3cc(C(=O)[O-])ccc32)C1 ZINC000040716051 174383939 /nfs/dbraw/zinc/38/39/39/174383939.db2.gz KYNXROIMZHQHGX-LLVKDONJSA-N -1 3 259.309 2.001 10 0 CEAEHM Cc1cccc2sc([N-]c3ncnc(N)c3N)nc21 ZINC000040723948 174385784 /nfs/dbraw/zinc/38/57/84/174385784.db2.gz BOKQPKGGCBJTQW-UHFFFAOYSA-N -1 3 272.337 2.303 10 0 CEAEHM 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/nfs/dbraw/zinc/30/10/87/180301087.db2.gz XGCIKQFRXUTNLY-UHFFFAOYSA-N -1 3 293.273 2.085 10 0 CEAEHM CCCn1cc(NCc2nc(C)ccc2[O-])ccc1=O ZINC000091994632 180301617 /nfs/dbraw/zinc/30/16/17/180301617.db2.gz RXZAJVMTZVBKMJ-UHFFFAOYSA-N -1 3 273.336 2.279 10 0 CEAEHM COc1ccc(C(=O)[O-])cc1CN1C[C@H](C)[C@H](C)C1 ZINC000092087912 180321500 /nfs/dbraw/zinc/32/15/00/180321500.db2.gz UYVIHXSNTNYWIU-PHIMTYICSA-N -1 3 263.337 2.481 10 0 CEAEHM C[C@H]1C[C@@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000625196652 350426557 /nfs/dbraw/zinc/42/65/57/350426557.db2.gz YGMKIOVCEDSOFJ-WKEGUHRASA-N -1 3 270.126 2.293 10 0 CEAEHM CCc1ccc(N)cc1S(=O)(=O)[N-]c1ccnc(C)c1 ZINC000092348664 180367202 /nfs/dbraw/zinc/36/72/02/180367202.db2.gz MFRMCVNVUAVUCY-UHFFFAOYSA-N -1 3 291.376 2.335 10 0 CEAEHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NCC3)ccn1 ZINC000092365050 180369008 /nfs/dbraw/zinc/36/90/08/180369008.db2.gz NGXWIQBPROVYDJ-UHFFFAOYSA-N -1 3 289.360 2.159 10 0 CEAEHM Cn1nc(CN(CC(=O)[O-])C(C)(C)C)c2ccccc21 ZINC000092449003 180387187 /nfs/dbraw/zinc/38/71/87/180387187.db2.gz FDZCXAILGCLQRP-UHFFFAOYSA-N -1 3 275.352 2.258 10 0 CEAEHM Cc1cccn2cc(CN(CC(=O)[O-])C(C)(C)C)nc12 ZINC000092449494 180388090 /nfs/dbraw/zinc/38/80/90/180388090.db2.gz LKNPEAWZCHORRC-UHFFFAOYSA-N -1 3 275.352 2.328 10 0 CEAEHM COc1ccc(Cc2nc(C3CC3)cc(=O)[n-]2)cc1OC ZINC000109523640 186259084 /nfs/dbraw/zinc/25/90/84/186259084.db2.gz KZRFUGLQZZIHJS-UHFFFAOYSA-N -1 3 286.331 2.255 10 0 CEAEHM COc1ccc(Cc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000109523833 186259119 /nfs/dbraw/zinc/25/91/19/186259119.db2.gz XVCAQQDHSDDYCW-UHFFFAOYSA-N -1 3 256.305 2.247 10 0 CEAEHM CN1CC[C@@H](Nc2cc(C(=O)[O-])nc3ccccc32)C1 ZINC000109588399 186263921 /nfs/dbraw/zinc/26/39/21/186263921.db2.gz HSAGUEOYCNUMHH-SNVBAGLBSA-N -1 3 271.320 2.049 10 0 CEAEHM CCCc1c(N)nc(-c2ccc(F)c(C)c2)[n-]c1=O ZINC000110472830 186298284 /nfs/dbraw/zinc/29/82/84/186298284.db2.gz IWIWWGNNULQEQA-UHFFFAOYSA-N -1 3 261.300 2.419 10 0 CEAEHM COc1ccc([C@@H](NCC2CC2)C(=O)[O-])c(Cl)c1OC ZINC000110830527 186327341 /nfs/dbraw/zinc/32/73/41/186327341.db2.gz QVGRHAKJAHOPLJ-GFCCVEGCSA-N -1 3 299.754 2.483 10 0 CEAEHM CN(CC1CCCC1)S(=O)(=O)c1ccc([O-])cc1 ZINC000110846693 186328533 /nfs/dbraw/zinc/32/85/33/186328533.db2.gz RSEFTWGAKDWHKU-UHFFFAOYSA-N -1 3 269.366 2.203 10 0 CEAEHM CC(C)(C)N1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000110955840 186336909 /nfs/dbraw/zinc/33/69/09/186336909.db2.gz IYAZIRDAWCMHJA-UHFFFAOYSA-N -1 3 282.409 2.362 10 0 CEAEHM Cc1cnccc1[N-]S(=O)(=O)c1cc(C)c(C)c(N)c1 ZINC000111043215 186347566 /nfs/dbraw/zinc/34/75/66/186347566.db2.gz BJSRSXKOGGZBCG-UHFFFAOYSA-N -1 3 291.376 2.390 10 0 CEAEHM CCC[C@@](C)(N)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111278407 186386469 /nfs/dbraw/zinc/38/64/69/186386469.db2.gz UQIWFHDBFBNIET-CYBMUJFWSA-N -1 3 284.743 2.494 10 0 CEAEHM O=C([O-])c1cnoc1CN1CCCC2(CC2)CC1 ZINC000629377620 351341898 /nfs/dbraw/zinc/34/18/98/351341898.db2.gz JQZIGNQQQNCAGH-UHFFFAOYSA-N -1 3 250.298 2.139 10 0 CEAEHM O=S(=O)([N-][C@@H]1COc2ccccc21)c1cccs1 ZINC000074913284 363415597 /nfs/dbraw/zinc/41/55/97/363415597.db2.gz CGUFIUCGKOJSGM-SNVBAGLBSA-N -1 3 281.358 2.160 10 0 CEAEHM [O-]c1c(Br)ccc(OC(F)F)c1CO ZINC000575681790 366327073 /nfs/dbraw/zinc/32/70/73/366327073.db2.gz CFEXLTUWMPZBPP-UHFFFAOYSA-N -1 3 269.041 2.248 10 0 CEAEHM CC[C@@H]1CC[C@@H](C)N(Cc2oncc2C(=O)[O-])C1 ZINC000302589646 538872977 /nfs/dbraw/zinc/87/29/77/538872977.db2.gz IASVPGXOOARGRP-NXEZZACHSA-N -1 3 252.314 2.383 10 0 CEAEHM O=C(c1cc([O-])ccc1F)N1CCO[C@H]2CCCC[C@H]21 ZINC000294430468 199036696 /nfs/dbraw/zinc/03/66/96/199036696.db2.gz KZYBOEMBHALTSJ-KGLIPLIRSA-N -1 3 279.311 2.315 10 0 CEAEHM CCCc1[nH]nc2c1nc(-c1ccccc1)[n-]c2=O ZINC000029485894 361684474 /nfs/dbraw/zinc/68/44/74/361684474.db2.gz VAHVRRBMGUFRSD-UHFFFAOYSA-N -1 3 254.293 2.266 10 0 CEAEHM CCNC(=O)c1cccc2[n-]c(C(F)(F)F)nc21 ZINC000089195103 363947107 /nfs/dbraw/zinc/94/71/07/363947107.db2.gz QAVFXZMTJMLFFE-UHFFFAOYSA-N -1 3 257.215 2.331 10 0 CEAEHM CCNC(=O)c1cccc2nc(C(F)(F)F)[n-]c21 ZINC000089195103 363947110 /nfs/dbraw/zinc/94/71/10/363947110.db2.gz QAVFXZMTJMLFFE-UHFFFAOYSA-N -1 3 257.215 2.331 10 0 CEAEHM C[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)CCS1 ZINC000163729427 367262138 /nfs/dbraw/zinc/26/21/38/367262138.db2.gz STIALKYUWMZQPG-SECBINFHSA-N -1 3 284.356 2.178 10 0 CEAEHM Cc1cnc([C@H](C)NC(=O)c2cccc(C)c2[O-])o1 ZINC000226614192 370348690 /nfs/dbraw/zinc/34/86/90/370348690.db2.gz IDUGUPOKTWWUHF-JTQLQIEISA-N -1 3 260.293 2.488 10 0 CEAEHM CCOC(=O)Cc1c([O-])ccc(F)c1Br ZINC000260904093 371636162 /nfs/dbraw/zinc/63/61/62/371636162.db2.gz IHKCBAPRPKDXDY-UHFFFAOYSA-N -1 3 277.089 2.399 10 0 CEAEHM [O-]c1cccc(CN[C@@H]2CCCC[C@@H]2O)c1Cl ZINC000293421615 377559855 /nfs/dbraw/zinc/55/98/55/377559855.db2.gz ALSNAPDWJKLMHB-MNOVXSKESA-N -1 3 255.745 2.439 10 0 CEAEHM CC(C)c1nc(C(=O)Nc2cccnc2Cl)n[n-]1 ZINC000095061761 184927077 /nfs/dbraw/zinc/92/70/77/184927077.db2.gz BHWTXAONIWKPDR-UHFFFAOYSA-N -1 3 265.704 2.229 10 0 CEAEHM O=C([N-]OC[C@@H]1CCOC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000191812281 130308160 /nfs/dbraw/zinc/30/81/60/130308160.db2.gz CDDMJQCQRNUXFG-ADEWGFFLSA-N -1 3 297.301 2.153 10 0 CEAEHM C[C@@H](NC(=O)c1c[n-]nn1)c1ccc2ccccc2c1 ZINC000193705607 395414029 /nfs/dbraw/zinc/41/40/29/395414029.db2.gz DFGIUGTWGAJHLT-SNVBAGLBSA-N -1 3 266.304 2.449 10 0 CEAEHM C[C@@H](NC(=O)c1cnn[n-]1)c1ccc2ccccc2c1 ZINC000193705607 395414032 /nfs/dbraw/zinc/41/40/32/395414032.db2.gz DFGIUGTWGAJHLT-SNVBAGLBSA-N -1 3 266.304 2.449 10 0 CEAEHM C[C@@H](NC(=O)c1cn[n-]n1)c1ccc2ccccc2c1 ZINC000193705607 395414036 /nfs/dbraw/zinc/41/40/36/395414036.db2.gz DFGIUGTWGAJHLT-SNVBAGLBSA-N -1 3 266.304 2.449 10 0 CEAEHM O=C(c1ccc2ccccc2c1[O-])N1CCN2CCC[C@H]2C1 ZINC000195318665 153284039 /nfs/dbraw/zinc/28/40/39/153284039.db2.gz XXGQQESPODLCPO-AWEZNQCLSA-N -1 3 296.370 2.466 10 0 CEAEHM COc1ccc(Cn2[n-]c(=O)c3ccccc32)cc1 ZINC000006018297 170168361 /nfs/dbraw/zinc/16/83/61/170168361.db2.gz BMKYHARYHCUVDW-UHFFFAOYSA-N -1 3 254.289 2.387 10 0 CEAEHM C[C@@H]1C[C@@H](C)[C@@H](C)N(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC000229459778 288493612 /nfs/dbraw/zinc/49/36/12/288493612.db2.gz BVUGGPRFGSAIHE-IJLUTSLNSA-N -1 3 283.393 2.447 10 0 CEAEHM O=C([O-])C[C@H]1NCCc2c(Br)cccc21 ZINC000035576762 172273786 /nfs/dbraw/zinc/27/37/86/172273786.db2.gz ZRAUMFDYHJNCQU-SNVBAGLBSA-N -1 3 270.126 2.111 10 0 CEAEHM C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1N ZINC000037178000 173011612 /nfs/dbraw/zinc/01/16/12/173011612.db2.gz HOQLCGXSULFEHY-SNVBAGLBSA-N -1 3 256.305 2.465 10 0 CEAEHM C[C@H](C1CC1)N(C)CC(=O)c1cc(F)ccc1[O-] ZINC000037338849 173139769 /nfs/dbraw/zinc/13/97/69/173139769.db2.gz CBSKCRLAGRRRGW-SECBINFHSA-N -1 3 251.301 2.444 10 0 CEAEHM Cc1cc(=O)[n-]c(Cc2ccc(Br)cc2)n1 ZINC000037409006 173184499 /nfs/dbraw/zinc/18/44/99/173184499.db2.gz HVQYMWXLNLFPAT-UHFFFAOYSA-N -1 3 279.137 2.432 10 0 CEAEHM Cc1cc(C(=O)[N-]c2ncc(Br)s2)on1 ZINC000037437094 173208258 /nfs/dbraw/zinc/20/82/58/173208258.db2.gz CROQSYLQESBWGM-UHFFFAOYSA-N -1 3 288.126 2.454 10 0 CEAEHM CCCC[C@@H](N)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000040484985 174288470 /nfs/dbraw/zinc/28/84/70/174288470.db2.gz OCLWFPZQWLOMBE-KGLIPLIRSA-N -1 3 292.379 2.226 10 0 CEAEHM Cc1cc(C)c(OCCN(C)C)c(/C=C/C(=O)[O-])c1 ZINC000040541823 174322792 /nfs/dbraw/zinc/32/27/92/174322792.db2.gz XJOISBYXCFWFRO-AATRIKPKSA-N -1 3 263.337 2.342 10 0 CEAEHM COc1ccc([O-])c(C(=O)Nc2cc(N)ccc2F)c1 ZINC000043327709 175009424 /nfs/dbraw/zinc/00/94/24/175009424.db2.gz DVUMNCLXDIDLRL-UHFFFAOYSA-N -1 3 276.267 2.374 10 0 CEAEHM CN(Cc1sccc1/C=C/C(=O)[O-])C[C@@H]1CCCO1 ZINC000043684673 175092807 /nfs/dbraw/zinc/09/28/07/175092807.db2.gz AXDMJXUALBZKPI-ITKZLYELSA-N -1 3 281.377 2.457 10 0 CEAEHM CCC[C@@H](NCc1nn[n-]n1)c1ccc(Cl)cc1 ZINC000044928098 175277713 /nfs/dbraw/zinc/27/77/13/175277713.db2.gz CIEOSDQEQLPWPP-LLVKDONJSA-N -1 3 265.748 2.484 10 0 CEAEHM CC1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(N)c(F)cc1Cl ZINC000045116701 175311748 /nfs/dbraw/zinc/31/17/48/175311748.db2.gz MOFWFLHUGQDUAB-JTQLQIEISA-N -1 3 292.763 2.138 10 0 CEAEHM COc1cccc(C(=O)N[C@H](C)c2nccs2)c1[O-] ZINC000070941991 176015366 /nfs/dbraw/zinc/01/53/66/176015366.db2.gz PLZYJVQZXMRYRH-MRVPVSSYSA-N -1 3 278.333 2.348 10 0 CEAEHM CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171338 176051482 /nfs/dbraw/zinc/05/14/82/176051482.db2.gz DAIASEOEPRYVDL-PRHODGIISA-N -1 3 264.325 2.005 10 0 CEAEHM Cc1ccc(C[N-]S(=O)(=O)c2cnccc2Cl)o1 ZINC000071204695 176079343 /nfs/dbraw/zinc/07/93/43/176079343.db2.gz JOLIBYDDYAKWFE-UHFFFAOYSA-N -1 3 286.740 2.115 10 0 CEAEHM Nc1[nH][n-]c(=O)c1Cc1ccc(Br)s1 ZINC000076420259 177023648 /nfs/dbraw/zinc/02/36/48/177023648.db2.gz CJRGHFGNURIOHK-UHFFFAOYSA-N -1 3 274.143 2.112 10 0 CEAEHM O=C(c1cc([O-])ccc1F)N1CCOCC2(CCC2)C1 ZINC000335238720 304500418 /nfs/dbraw/zinc/50/04/18/304500418.db2.gz NBKGENQZPSXYLG-UHFFFAOYSA-N -1 3 279.311 2.174 10 0 CEAEHM COc1cccc(C(=O)N[C@H](C)c2ncc(C)o2)c1[O-] ZINC000226616725 280215554 /nfs/dbraw/zinc/21/55/54/280215554.db2.gz WFSHQJLIHGZIDC-SECBINFHSA-N -1 3 276.292 2.188 10 0 CEAEHM CC(C)(C)OC(=O)[C@H](C(=O)[O-])[C@@H](N)c1ccc(Cl)cc1 ZINC000071617911 327104931 /nfs/dbraw/zinc/10/49/31/327104931.db2.gz GMRKWWIDEVJMSP-QWRGUYRKSA-N -1 3 299.754 2.382 10 0 CEAEHM CC(C)CNCc1cc2c(cc1O[C@@H](C)C(=O)[O-])OCO2 ZINC000062733964 519747001 /nfs/dbraw/zinc/74/70/01/519747001.db2.gz GWBBQUQIFDDSQC-JTQLQIEISA-N -1 3 295.335 2.013 10 0 CEAEHM CC(C)OC[C@](NC1CC1)(C(=O)[O-])c1ccccc1 ZINC000045502342 519774826 /nfs/dbraw/zinc/77/48/26/519774826.db2.gz HUGFVKQIRODLSW-OAHLLOKOSA-N -1 3 263.337 2.144 10 0 CEAEHM CCNC(C)(C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000061297479 519906228 /nfs/dbraw/zinc/90/62/28/519906228.db2.gz YAEGVUDQUVHTQE-UHFFFAOYSA-N -1 3 284.743 2.365 10 0 CEAEHM CCN(CC(=O)Nc1ccc(Cl)cc1)C[C@@H](C)C(=O)[O-] ZINC000061220358 520358281 /nfs/dbraw/zinc/35/82/81/520358281.db2.gz QECQSWADBWUDOY-SNVBAGLBSA-N -1 3 298.770 2.321 10 0 CEAEHM CCC[C@@H](C)NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000050925315 520655606 /nfs/dbraw/zinc/65/56/06/520655606.db2.gz HHQGSDPFDGSLJO-CHWSQXEVSA-N -1 3 284.400 2.011 10 0 CEAEHM CCN(Cc1cc(F)ccc1OC)C[C@H](C)C(=O)[O-] ZINC000061218734 521293386 /nfs/dbraw/zinc/29/33/86/521293386.db2.gz VNXIAWSMHSJGFL-JTQLQIEISA-N -1 3 269.316 2.377 10 0 CEAEHM CCN(Cc1ccccc1OC)[C@@H](C)CC(=O)[O-] ZINC000061182309 521386535 /nfs/dbraw/zinc/38/65/35/521386535.db2.gz HXMZJSGBZBCRDH-NSHDSACASA-N -1 3 251.326 2.380 10 0 CEAEHM CN(Cc1ccncc1)C[C@H](C(=O)[O-])c1ccccc1 ZINC000062752534 523462318 /nfs/dbraw/zinc/46/23/18/523462318.db2.gz JKXAWCVTOLICMD-HNNXBMFYSA-N -1 3 270.332 2.382 10 0 CEAEHM C[C@@H](CCC(=O)[O-])N1CCN(c2ccccc2F)CC1 ZINC000050956713 524441784 /nfs/dbraw/zinc/44/17/84/524441784.db2.gz KHQHYRSTFXSAOD-LBPRGKRZSA-N -1 3 280.343 2.201 10 0 CEAEHM COc1ccccc1N1CCN([C@H](C)CCC(=O)[O-])CC1 ZINC000050956410 524559217 /nfs/dbraw/zinc/55/92/17/524559217.db2.gz MPNHKYRJEWLTDN-CYBMUJFWSA-N -1 3 292.379 2.071 10 0 CEAEHM COc1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1C ZINC000049528568 524697300 /nfs/dbraw/zinc/69/73/00/524697300.db2.gz KLERGLTZXUJCSE-UHFFFAOYSA-N -1 3 292.360 2.387 10 0 CEAEHM Cc1nnc(N[C@H](CC(C)C)CN(C)C)c(C(=O)[O-])c1C ZINC000054530280 526374221 /nfs/dbraw/zinc/37/42/21/526374221.db2.gz YVKQKLLTYKVOMS-GFCCVEGCSA-N -1 3 294.399 2.180 10 0 CEAEHM O=c1[n-][nH]c(=S)n1[C@@H]1CCCc2sccc21 ZINC000061591120 527434579 /nfs/dbraw/zinc/43/45/79/527434579.db2.gz RUHZUWFNMJKBBO-SSDOTTSWSA-N -1 3 253.352 2.221 10 0 CEAEHM CN(C)c1nc(N)c(-c2c(F)cccc2Cl)c(=O)[n-]1 ZINC000757179479 574511428 /nfs/dbraw/zinc/51/14/28/574511428.db2.gz HVDAPZFKVKNWGM-UHFFFAOYSA-N -1 3 282.706 2.290 10 0 CEAEHM O=C([O-])c1cc(CN[C@@H]2CCc3ccccc3C2)on1 ZINC000236482088 625945711 /nfs/dbraw/zinc/94/57/11/625945711.db2.gz AYQFOGLEDHSTEI-GFCCVEGCSA-N -1 3 272.304 2.020 10 0 CEAEHM CCN1CCC[C@@H](Nc2nc(C)c(C(=O)[O-])s2)C1 ZINC000156018327 638604450 /nfs/dbraw/zinc/60/44/50/638604450.db2.gz WFERUFOBNDVKFC-SECBINFHSA-N -1 3 269.370 2.046 10 0 CEAEHM