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(c1cccc(O)c1[O-])N1CCOc2ccncc21 ZINC001556756796 965097378 /nfs/dbraw/zinc/09/73/78/965097378.db2.gz BXRUIOLLDGEQHL-UHFFFAOYSA-N -1 3 272.260 1.532 10 10 CDCEHM Cc1cc(Cl)cc(CN2CC[C@@H](NC(N)=O)C2)c1[O-] ZINC000271793196 364999521 /nfs/dbraw/zinc/99/95/21/364999521.db2.gz GZMXPFWOULKKFX-LLVKDONJSA-N -1 3 283.759 1.597 10 10 CDCEHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCN(C)C1=O ZINC000295397966 378672895 /nfs/dbraw/zinc/67/28/95/378672895.db2.gz QJYMPIWYZBEANS-NSHDSACASA-N -1 3 286.734 1.847 10 10 CDCEHM Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)c([O-])c1O ZINC000182493693 391236149 /nfs/dbraw/zinc/23/61/49/391236149.db2.gz BTSHLKWYWYBPCZ-ZYHUDNBSSA-N -1 3 279.336 1.687 10 10 CDCEHM Cc1ccc(C(=O)N(C)C[C@@H]2CCCO2)c([O-])c1O ZINC000179473117 391207584 /nfs/dbraw/zinc/20/75/84/391207584.db2.gz CVFLNWGFYNSKOY-JTQLQIEISA-N -1 3 265.309 1.657 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@]2(C1)CCCOC2 ZINC000367648716 267106422 /nfs/dbraw/zinc/10/64/22/267106422.db2.gz LJFVPCXXOZNJJZ-HNNXBMFYSA-N -1 3 277.320 1.741 10 10 CDCEHM COC(=O)[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000840914109 617648465 /nfs/dbraw/zinc/64/84/65/617648465.db2.gz NZUNOJOEGSNYAA-ZDUSSCGKSA-N -1 3 299.754 1.728 10 10 CDCEHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ncnn21 ZINC000855328817 677722923 /nfs/dbraw/zinc/72/29/23/677722923.db2.gz XVXSRGGIOUOHNZ-VXNVDRBHSA-N -1 3 274.280 1.125 10 10 CDCEHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])[C@@H](C)O1 ZINC000395016783 678084732 /nfs/dbraw/zinc/08/47/32/678084732.db2.gz LVTWKIIAHVMNMJ-NQMVMOMDSA-N -1 3 251.282 1.394 10 10 CDCEHM Cc1ccn2c(c1)nnc2NC(=O)c1cccc(O)c1[O-] ZINC000193131796 678128944 /nfs/dbraw/zinc/12/89/44/678128944.db2.gz WOMSLHCSAIPMTP-UHFFFAOYSA-N -1 3 284.275 1.701 10 10 CDCEHM CCOC(C)(C)C(=O)NCc1c([O-])cccc1F ZINC000928709848 678456202 /nfs/dbraw/zinc/45/62/02/678456202.db2.gz MKQLALARJQLEMW-UHFFFAOYSA-N -1 3 255.289 1.963 10 10 CDCEHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000827290497 678471203 /nfs/dbraw/zinc/47/12/03/678471203.db2.gz HFYSGYVCAPARGM-TVQRCGJNSA-N -1 3 298.726 1.911 10 10 CDCEHM CO[C@@H](C(=O)NCc1c([O-])cccc1F)C1CCC1 ZINC000928712571 678539330 /nfs/dbraw/zinc/53/93/30/678539330.db2.gz SCIDHNQPJXJQEA-CYBMUJFWSA-N -1 3 267.300 1.963 10 10 CDCEHM COC(=O)[C@]1(OC)CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000862475217 678731320 /nfs/dbraw/zinc/73/13/20/678731320.db2.gz CYHBJPREWDXVIA-AWEZNQCLSA-N -1 3 299.754 1.810 10 10 CDCEHM C[C@@H]1COCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928707186 678745264 /nfs/dbraw/zinc/74/52/64/678745264.db2.gz BWMOXIITNFUQHC-NXEZZACHSA-N -1 3 267.300 1.820 10 10 CDCEHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1cn(C)nn1 ZINC000720605873 678920453 /nfs/dbraw/zinc/92/04/53/678920453.db2.gz HDUCEOUCRZJJRF-ZETCQYMHSA-N -1 3 268.267 1.650 10 10 CDCEHM CO[C@H]1CCCN(NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000928416526 678930652 /nfs/dbraw/zinc/93/06/52/678930652.db2.gz NEYZTSASAHMJFL-JTQLQIEISA-N -1 3 280.324 1.162 10 10 CDCEHM CC1(C(N)=O)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000843415081 678954645 /nfs/dbraw/zinc/95/46/45/678954645.db2.gz BQPDCGWBMOZJRF-UHFFFAOYSA-N -1 3 254.717 1.353 10 10 CDCEHM COC(=O)[C@](C)(CCF)NC(=O)c1cccc(O)c1[O-] ZINC000855910425 678987269 /nfs/dbraw/zinc/98/72/69/678987269.db2.gz MVPRGDBZLPPGSK-ZDUSSCGKSA-N -1 3 285.271 1.119 10 10 CDCEHM [O-]c1ccc(F)cc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000180117157 679131182 /nfs/dbraw/zinc/13/11/82/679131182.db2.gz ATCJMJOUIQZKJW-AWEZNQCLSA-N -1 3 291.326 1.629 10 10 CDCEHM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC000871556716 679176393 /nfs/dbraw/zinc/17/63/93/679176393.db2.gz OPUHAJFBQOLTKO-OLBFVZFUSA-N -1 3 291.303 1.169 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN1CC(CCO)C1 ZINC000839135663 679601559 /nfs/dbraw/zinc/60/15/59/679601559.db2.gz HCNPFSFZROHDIA-UHFFFAOYSA-N -1 3 259.708 1.999 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CC(=O)N(C2CC2)C1 ZINC000928712541 679639564 /nfs/dbraw/zinc/63/95/64/679639564.db2.gz SLQJEUCKCLAQLA-VIFPVBQESA-N -1 3 292.310 1.158 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1c[nH]nc1[N+](=O)[O-] ZINC001652298395 1171420955 /nfs/dbraw/zinc/42/09/55/1171420955.db2.gz JHZFVDSUDZXQCF-UHFFFAOYSA-N -1 3 280.215 1.093 10 10 CDCEHM CC[C@@](C)(CCO)NC(=O)c1cccc(O)c1[O-] ZINC000228539706 1175767563 /nfs/dbraw/zinc/76/75/63/1175767563.db2.gz DLTLXWSKGIQCNW-ZDUSSCGKSA-N -1 3 253.298 1.379 10 10 CDCEHM Cn1cncc1CNC(=O)NCc1c([O-])cccc1F ZINC001235407401 944146239 /nfs/dbraw/zinc/14/62/39/944146239.db2.gz IXAFXGGEESFXQZ-UHFFFAOYSA-N -1 3 278.287 1.264 10 10 CDCEHM Cc1ccc(C(=O)Nc2nc3cccnc3n2C)c([O-])c1O ZINC001466716528 969989127 /nfs/dbraw/zinc/98/91/27/969989127.db2.gz KADCFUDIBKCYRO-UHFFFAOYSA-N -1 3 298.302 1.940 10 10 CDCEHM COCCN1CCN(Cc2cc(F)ccc2[O-])C[C@@H]1C ZINC000180100031 357243588 /nfs/dbraw/zinc/24/35/88/357243588.db2.gz OZDOYLRZCVGBOV-LBPRGKRZSA-N -1 3 282.359 1.684 10 10 CDCEHM CCN(CC(=O)OC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272885498 365431366 /nfs/dbraw/zinc/43/13/66/365431366.db2.gz YMGQYLSECWQRED-UHFFFAOYSA-N -1 3 267.281 1.041 10 10 CDCEHM CCn1c(C)nnc1CN(C)Cc1ccccc1[O-] ZINC000171937335 365433555 /nfs/dbraw/zinc/43/35/55/365433555.db2.gz HRHGCAVVWDDOKU-UHFFFAOYSA-N -1 3 260.341 1.944 10 10 CDCEHM CO[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1C ZINC000275938156 371205291 /nfs/dbraw/zinc/20/52/91/371205291.db2.gz HZYHTDVUKRNKJV-CABZTGNLSA-N -1 3 265.309 1.595 10 10 CDCEHM O=C(NCCc1ccc(O)cc1)c1ccc([O-])c(O)c1 ZINC000042921846 560085704 /nfs/dbraw/zinc/08/57/04/560085704.db2.gz VGIFBSQQOUBLSS-UHFFFAOYSA-N -1 3 273.288 1.776 10 10 biogenic,in-vitro CDCEHM CO[C@@H]1COCC[C@H]1CC(=O)NCc1c([O-])cccc1F ZINC000928706311 620504352 /nfs/dbraw/zinc/50/43/52/620504352.db2.gz QNECXNODKDCOAV-IINYFYTJSA-N -1 3 297.326 1.589 10 10 CDCEHM CCO[C@H](C(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000928709749 620506061 /nfs/dbraw/zinc/50/60/61/620506061.db2.gz FJNWUDZXTNDCAT-ZDUSSCGKSA-N -1 3 267.300 1.963 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2ncccn2)C1 ZINC000899524600 622298661 /nfs/dbraw/zinc/29/86/61/622298661.db2.gz OIENGTOYRZCSGF-LLVKDONJSA-N -1 3 299.330 1.908 10 10 CDCEHM C[C@H](Cn1ccnc1)NC(=O)NCc1c([O-])cccc1F ZINC000905150199 626661270 /nfs/dbraw/zinc/66/12/70/626661270.db2.gz ZIALTMITHSFQML-SNVBAGLBSA-N -1 3 292.314 1.616 10 10 CDCEHM CN1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1=O ZINC000928706839 679715667 /nfs/dbraw/zinc/71/56/67/679715667.db2.gz WJNDNLONICAESI-SECBINFHSA-N -1 3 280.299 1.016 10 10 CDCEHM [O-]c1ccc(F)cc1CN1CCO[C@@H](C(F)F)C1 ZINC000802654560 684207614 /nfs/dbraw/zinc/20/76/14/684207614.db2.gz XWDPHYKHUBZHMX-LLVKDONJSA-N -1 3 261.243 1.997 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000790901254 679860927 /nfs/dbraw/zinc/86/09/27/679860927.db2.gz NDFMAEHHEGWPLQ-NEPJUHHUSA-N -1 3 291.347 1.987 10 10 CDCEHM CN1CC[C@](C)(C(=O)NCc2c([O-])cccc2F)C1=O ZINC000928713008 682222136 /nfs/dbraw/zinc/22/21/36/682222136.db2.gz ZODSHMIWHIFTRB-CQSZACIVSA-N -1 3 280.299 1.016 10 10 CDCEHM CC(C)(O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000721850111 684157443 /nfs/dbraw/zinc/15/74/43/684157443.db2.gz HXNUOFJSZQHAGI-VIFPVBQESA-N -1 3 265.309 1.331 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000928706288 684203694 /nfs/dbraw/zinc/20/36/94/684203694.db2.gz QJLVQLXANZLOCJ-IVZWLZJFSA-N -1 3 277.295 1.763 10 10 CDCEHM COc1ccnc(OC)c1NC(=O)c1cccc(O)c1[O-] ZINC001634315873 1166488468 /nfs/dbraw/zinc/48/84/68/1166488468.db2.gz XAMIYMXFBFOCHO-UHFFFAOYSA-N -1 3 290.275 1.762 10 10 CDCEHM O=C(Cc1ccncc1)NCc1c([O-])cccc1F ZINC001596912073 1174249214 /nfs/dbraw/zinc/24/92/14/1174249214.db2.gz LJNYDNIMNQPUQJ-UHFFFAOYSA-N -1 3 260.268 1.785 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)[N-]OCC(F)(F)F ZINC001137305903 936455818 /nfs/dbraw/zinc/45/58/18/936455818.db2.gz ZXVNJUDCJQLUGE-UHFFFAOYSA-N -1 3 265.187 1.250 10 10 CDCEHM Cc1[nH]c(=O)[nH]c1C(=O)NCc1c([O-])cccc1F ZINC001558454264 965282816 /nfs/dbraw/zinc/28/28/16/965282816.db2.gz DFGHBSCNKUDJJC-UHFFFAOYSA-N -1 3 265.244 1.198 10 10 CDCEHM CC(C)[C@H](O)CCNC(=O)c1cccc(O)c1[O-] ZINC001465222126 969856179 /nfs/dbraw/zinc/85/61/79/969856179.db2.gz HFNCQFSEPMTSMF-SNVBAGLBSA-N -1 3 253.298 1.235 10 10 CDCEHM COC(=O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000092013478 360262054 /nfs/dbraw/zinc/26/20/54/360262054.db2.gz IVKBBQOQABLQMZ-NOZJJQNGSA-N -1 3 299.754 1.808 10 10 CDCEHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)N(C)C ZINC000294481417 371063379 /nfs/dbraw/zinc/06/33/79/371063379.db2.gz APAXYAHSRNPYEM-ZETCQYMHSA-N -1 3 274.723 1.751 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@H]2CCCC[C@@H]21 ZINC000126349450 260350567 /nfs/dbraw/zinc/35/05/67/260350567.db2.gz YXWCYYCSBMKPJO-AAEUAGOBSA-N -1 3 277.320 1.881 10 10 CDCEHM C[C@@H]1CN(Cc2ccccc2[O-])CCS1(=O)=O ZINC000156319898 261119838 /nfs/dbraw/zinc/11/98/38/261119838.db2.gz LCNIIBFYBUWRIE-SNVBAGLBSA-N -1 3 255.339 1.011 10 10 CDCEHM CCN(CC(=O)OC)Cc1c([O-])ccc2ccncc21 ZINC000728709612 574643029 /nfs/dbraw/zinc/64/30/29/574643029.db2.gz UDGOYUJZGLQJOI-UHFFFAOYSA-N -1 3 274.320 1.935 10 10 CDCEHM C[C@H](NCc1cc(F)cc(F)c1[O-])C1N=NC(=O)N1C ZINC000895172079 619409264 /nfs/dbraw/zinc/40/92/64/619409264.db2.gz RCKUYASQDMYUTF-LURJTMIESA-N -1 3 284.266 1.355 10 10 CDCEHM CC1=NO[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928707014 620505336 /nfs/dbraw/zinc/50/53/36/620505336.db2.gz ZSCXWYIFWMHYMZ-LLVKDONJSA-N -1 3 252.245 1.312 10 10 CDCEHM O=C(C[C@H]1CCCO1)NCc1c([O-])cccc1F ZINC000928706848 685844019 /nfs/dbraw/zinc/84/40/19/685844019.db2.gz WYTPZHXQAAOWBM-SECBINFHSA-N -1 3 253.273 1.717 10 10 CDCEHM CCC[C@@](C)(O)C(=O)NCc1c([O-])cccc1F ZINC000928705814 684800668 /nfs/dbraw/zinc/80/06/68/684800668.db2.gz NMQAOOMDZIBPRR-CYBMUJFWSA-N -1 3 255.289 1.699 10 10 CDCEHM COc1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc1C ZINC000841807317 686850685 /nfs/dbraw/zinc/85/06/85/686850685.db2.gz QCSUADCAROXNGN-CQSZACIVSA-N -1 3 289.335 1.653 10 10 CDCEHM C[C@]12COC[C@@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000855836340 687165528 /nfs/dbraw/zinc/16/55/28/687165528.db2.gz WXSWTVFVLZCBOU-XPTSAGLGSA-N -1 3 263.293 1.206 10 10 CDCEHM CCC[C@H](C)[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000846361399 687976924 /nfs/dbraw/zinc/97/69/24/687976924.db2.gz QIZWYUCBUIEFSA-ONGXEEELSA-N -1 3 267.325 1.625 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)Nc1ncccc1[O-] ZINC001638378883 1166841904 /nfs/dbraw/zinc/84/19/04/1166841904.db2.gz CMDKJDFWCKLYDA-UHFFFAOYSA-N -1 3 260.249 1.380 10 10 CDCEHM Cn1ncc2c1ncnc2NCc1c([O-])cccc1F ZINC001652252073 1171412705 /nfs/dbraw/zinc/41/27/05/1171412705.db2.gz GPWCYNQOPVQWOK-UHFFFAOYSA-N -1 3 273.271 1.820 10 10 CDCEHM O=C(NCc1ccc(=O)[nH]n1)NCc1c([O-])cccc1F ZINC001681415774 1174578467 /nfs/dbraw/zinc/57/84/67/1174578467.db2.gz CIURIEAIUIHTLH-UHFFFAOYSA-N -1 3 292.270 1.026 10 10 CDCEHM NC(=O)c1cc(NCc2c([O-])cccc2F)nc(Cl)n1 ZINC001612950395 1165525713 /nfs/dbraw/zinc/52/57/13/1165525713.db2.gz NGJGFQJZRJEMKV-UHFFFAOYSA-N -1 3 296.689 1.686 10 10 CDCEHM COc1cnc(C(=O)NCc2c([O-])cccc2F)nc1 ZINC001635366717 1166581008 /nfs/dbraw/zinc/58/10/08/1166581008.db2.gz IHVZLNYHKFIMAT-UHFFFAOYSA-N -1 3 277.255 1.260 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cc2n(n1)CCO2 ZINC001635366769 1166581099 /nfs/dbraw/zinc/58/10/99/1166581099.db2.gz LDCSLMOORKSPCE-UHFFFAOYSA-N -1 3 277.255 1.050 10 10 CDCEHM CO[C@H]1CC[C@@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000687210100 1166795349 /nfs/dbraw/zinc/79/53/49/1166795349.db2.gz XZUDQJCFQXORFV-ZJUUUORDSA-N -1 3 265.309 1.737 10 10 CDCEHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)C(F)F ZINC000295388210 378672436 /nfs/dbraw/zinc/67/24/36/378672436.db2.gz FVZQNMGBBDBTKS-XCBNKYQSSA-N -1 3 275.251 1.232 10 10 CDCEHM CC(C)N(C(=O)c1cccc(O)c1[O-])[C@H]1CCOC1 ZINC000292749969 519580842 /nfs/dbraw/zinc/58/08/42/519580842.db2.gz HOJOYAJJJYWGOF-JTQLQIEISA-N -1 3 265.309 1.737 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@@H](O)C2)c1[O-] ZINC000093332356 1174437822 /nfs/dbraw/zinc/43/78/22/1174437822.db2.gz HVQQVCVVYCRDIM-XPTSAGLGSA-N -1 3 281.327 1.937 10 10 CDCEHM COc1cccc([O-])c1CN1CCN2C(=O)OCC[C@H]2C1 ZINC000770393265 575444623 /nfs/dbraw/zinc/44/46/23/575444623.db2.gz SGYGBMLPJADFBU-NSHDSACASA-N -1 3 292.335 1.427 10 10 CDCEHM Cc1ccc(C(=O)N2CCCC[C@@H]2CC(N)=O)c([O-])c1O ZINC000770480520 575454868 /nfs/dbraw/zinc/45/48/68/575454868.db2.gz AHFNKICZDRPMJT-SNVBAGLBSA-N -1 3 292.335 1.276 10 10 CDCEHM C[C@H]1CN(CCO)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894957520 619159970 /nfs/dbraw/zinc/15/99/70/619159970.db2.gz MFANMZLLKQEEMZ-JTQLQIEISA-N -1 3 286.322 1.169 10 10 CDCEHM COC[C@@H](C)NC(=S)NCc1c([O-])cccc1F ZINC000905659809 626904688 /nfs/dbraw/zinc/90/46/88/626904688.db2.gz CRVIXKXQYIVXCB-MRVPVSSYSA-N -1 3 272.345 1.530 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCOC1 ZINC000917116286 632155210 /nfs/dbraw/zinc/15/52/10/632155210.db2.gz KREDBZBWFHVGQX-SECBINFHSA-N -1 3 268.288 1.510 10 10 CDCEHM COc1c([O-])c(CN2CC(C)C2)ccc1[N+](=O)[O-] ZINC000802651667 695089213 /nfs/dbraw/zinc/08/92/13/695089213.db2.gz WJPWSTBVRMXXOX-UHFFFAOYSA-N -1 3 252.270 1.761 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@@H](CC(N)=O)C2)cc1Cl ZINC000862535827 692340513 /nfs/dbraw/zinc/34/05/13/692340513.db2.gz ZKCCYPYIJBWFOU-NSHDSACASA-N -1 3 298.770 1.430 10 10 CDCEHM COC(=O)N[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000228355060 692903255 /nfs/dbraw/zinc/90/32/55/692903255.db2.gz XHDBMCWZTUWZOC-JTQLQIEISA-N -1 3 268.288 1.462 10 10 CDCEHM CCN1CN(Cc2ccc(Br)cc2[O-])CC1=O ZINC000825693338 693175518 /nfs/dbraw/zinc/17/55/18/693175518.db2.gz XNKVUORUCREBPP-UHFFFAOYSA-N -1 3 299.168 1.776 10 10 CDCEHM CN(C)C(=O)C1(NCc2cc(Cl)cc(F)c2[O-])CC1 ZINC000840956809 694881147 /nfs/dbraw/zinc/88/11/47/694881147.db2.gz FDHJNSLYUHHZQA-UHFFFAOYSA-N -1 3 286.734 1.895 10 10 CDCEHM CCC[C@@H](C)[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000846361397 695074936 /nfs/dbraw/zinc/07/49/36/695074936.db2.gz QIZWYUCBUIEFSA-KOLCDFICSA-N -1 3 267.325 1.625 10 10 CDCEHM O=C(Cc1nnc[nH]1)NCc1cccc(Cl)c1[O-] ZINC001647829990 1169060510 /nfs/dbraw/zinc/06/05/10/1169060510.db2.gz CJIUKDMCSFURST-UHFFFAOYSA-N -1 3 266.688 1.023 10 10 CDCEHM C[C@H](NC(=O)c1cc(=O)[n-]cn1)c1ccccc1O ZINC001587451534 1172985613 /nfs/dbraw/zinc/98/56/13/1172985613.db2.gz YWBKGDBONILBCE-QMMMGPOBSA-N -1 3 259.265 1.379 10 10 CDCEHM O=C(NCc1cccnc1F)c1cccc(O)c1[O-] ZINC000794012148 723311448 /nfs/dbraw/zinc/31/14/48/723311448.db2.gz OCBSPQXBOUVQSU-UHFFFAOYSA-N -1 3 262.240 1.562 10 10 CDCEHM C[C@@]1(C2CC2)CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000694886761 898765590 /nfs/dbraw/zinc/76/55/90/898765590.db2.gz GIWGKKPTUPZHNF-HNNXBMFYSA-N -1 3 277.320 1.739 10 10 CDCEHM CN(C)c1ccc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000387132440 936637174 /nfs/dbraw/zinc/63/71/74/936637174.db2.gz SLDOUSOBLQVESS-UHFFFAOYSA-N -1 3 273.292 1.811 10 10 CDCEHM CCOC(=O)CN(C(=O)c1cccc(O)c1[O-])C1CCC1 ZINC001138101718 936639116 /nfs/dbraw/zinc/63/91/16/936639116.db2.gz LDEQTDMTFATWMM-UHFFFAOYSA-N -1 3 293.319 1.656 10 10 CDCEHM C[C@@H](O)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000840977671 936970772 /nfs/dbraw/zinc/97/07/72/936970772.db2.gz IYZPSYYOWCFCLC-NOZJJQNGSA-N -1 3 271.744 1.627 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCC(=O)C1 ZINC000928705466 933173231 /nfs/dbraw/zinc/17/32/31/933173231.db2.gz IRRYECIYDNEZLL-MRVPVSSYSA-N -1 3 251.257 1.517 10 10 CDCEHM CCO[C@H]1C[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711610 933174332 /nfs/dbraw/zinc/17/43/32/933174332.db2.gz JTKPAJWGBYPEGA-UFBFGSQYSA-N -1 3 253.273 1.573 10 10 CDCEHM COC[C@@H]1C[C@@H](O)CN1Cc1cc(F)cc(F)c1[O-] ZINC001332009179 957395297 /nfs/dbraw/zinc/39/52/97/957395297.db2.gz DIISHSWKRMXOLY-WDEREUQCSA-N -1 3 273.279 1.252 10 10 CDCEHM CNc1ccc(C(=O)NCc2c([O-])cccc2F)nc1 ZINC001558456480 965285897 /nfs/dbraw/zinc/28/58/97/965285897.db2.gz ANVWHYNGRPVWPF-UHFFFAOYSA-N -1 3 275.283 1.898 10 10 CDCEHM Cc1n[nH]cc1CN(C)C(=O)c1cccc(O)c1[O-] ZINC001469326589 970241513 /nfs/dbraw/zinc/24/15/13/970241513.db2.gz PAHYGLLCLDCVFV-UHFFFAOYSA-N -1 3 261.281 1.402 10 10 CDCEHM O=C(NCc1c(O)cccc1O)c1ccc(O)cc1[O-] ZINC001472063383 970558037 /nfs/dbraw/zinc/55/80/37/970558037.db2.gz JHAQSEINQUXMGS-UHFFFAOYSA-N -1 3 275.260 1.439 10 10 CDCEHM CC(=O)Nc1ccc([O-])c(CN2CCOCC2)c1 ZINC000082312518 358158903 /nfs/dbraw/zinc/15/89/03/358158903.db2.gz GDYRUTUBRQXWSW-UHFFFAOYSA-N -1 3 250.298 1.183 10 10 CDCEHM COc1cc(Cl)cc(CN2CC[C@@H](NC(N)=O)C2)c1[O-] ZINC000273736125 365519975 /nfs/dbraw/zinc/51/99/75/365519975.db2.gz LAOJXGMWNQSEPT-SNVBAGLBSA-N -1 3 299.758 1.297 10 10 CDCEHM CC[C@@H](CO)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180214833 261847383 /nfs/dbraw/zinc/84/73/83/261847383.db2.gz YJTDPRVQSMBEAG-AWEZNQCLSA-N -1 3 282.359 1.420 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCNC(=O)CC2)c1[O-] ZINC000062101473 518282897 /nfs/dbraw/zinc/28/28/97/518282897.db2.gz XAVXHLYUFZJKGO-UHFFFAOYSA-N -1 3 280.299 1.056 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840977723 617984985 /nfs/dbraw/zinc/98/49/85/617984985.db2.gz JLCUGYLRURYOML-YGRLFVJLSA-N -1 3 285.771 1.936 10 10 CDCEHM C[C@@H](NCc1cc(F)cc(F)c1[O-])C1N=NC(=O)N1C ZINC000895172080 619409142 /nfs/dbraw/zinc/40/91/42/619409142.db2.gz RCKUYASQDMYUTF-ZCFIWIBFSA-N -1 3 284.266 1.355 10 10 CDCEHM C[C@H](C(=O)NCc1c([O-])cccc1F)[C@H]1CCC(=O)N1 ZINC000928706630 620505428 /nfs/dbraw/zinc/50/54/28/620505428.db2.gz SPCWNKYOZZOAMW-GZMMTYOYSA-N -1 3 280.299 1.062 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@]12CCOC2 ZINC000928708585 620505742 /nfs/dbraw/zinc/50/57/42/620505742.db2.gz PSDAHKBRQXZDJI-QMTHXVAHSA-N -1 3 265.284 1.574 10 10 CDCEHM COC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCOC1 ZINC000899656760 622348686 /nfs/dbraw/zinc/34/86/86/622348686.db2.gz WOQFAYIITFPDRE-JQWIXIFHSA-N -1 3 295.335 1.269 10 10 CDCEHM COC[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000905146320 626657293 /nfs/dbraw/zinc/65/72/93/626657293.db2.gz BPSJYEHVSHSILK-MRVPVSSYSA-N -1 3 256.277 1.365 10 10 CDCEHM COC(=O)CN(C)Cc1c([O-])cc(C)cc1Cl ZINC000840910495 695324965 /nfs/dbraw/zinc/32/49/65/695324965.db2.gz OEPQQLCHRIGVMQ-UHFFFAOYSA-N -1 3 257.717 1.959 10 10 CDCEHM CC1(C(N)=O)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000843416729 695328352 /nfs/dbraw/zinc/32/83/52/695328352.db2.gz VGBBLPKESDPTRG-UHFFFAOYSA-N -1 3 299.168 1.462 10 10 CDCEHM C[C@]1(CCC(=O)NCc2c([O-])cccc2F)CCC(=O)N1 ZINC000928706146 695380920 /nfs/dbraw/zinc/38/09/20/695380920.db2.gz RYVRCSNLKHCCBD-HNNXBMFYSA-N -1 3 294.326 1.596 10 10 CDCEHM CC[C@H](C)OCC(=O)NCc1c([O-])cccc1F ZINC000928705823 695517705 /nfs/dbraw/zinc/51/77/05/695517705.db2.gz NVQDJVRTKVPMAO-VIFPVBQESA-N -1 3 255.289 1.963 10 10 CDCEHM O=C(NCc1ccc2cccnc2c1O)c1cc(=O)[n-]cn1 ZINC001630531926 1166213820 /nfs/dbraw/zinc/21/38/20/1166213820.db2.gz FKBQYZFZTIFSBH-UHFFFAOYSA-N -1 3 296.286 1.366 10 10 CDCEHM C[C@@H](C(=O)NCc1c([O-])cccc1F)n1ccnc1 ZINC001635360625 1166582183 /nfs/dbraw/zinc/58/21/83/1166582183.db2.gz OICWKUXZFCXXJR-VIFPVBQESA-N -1 3 263.272 1.605 10 10 CDCEHM O=C(Nc1c[nH]nc1Br)c1cccc(O)c1[O-] ZINC001639159233 1166906944 /nfs/dbraw/zinc/90/69/44/1166906944.db2.gz XOZKQAYUVJYSMQ-UHFFFAOYSA-N -1 3 298.096 1.836 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCOC1 ZINC000921620146 725674537 /nfs/dbraw/zinc/67/45/37/725674537.db2.gz SAALEQRIFFNQEP-QMMMGPOBSA-N -1 3 254.261 1.119 10 10 CDCEHM O=C(CNCc1ccc(F)c(F)c1[O-])NC1CC1 ZINC000700721188 922263070 /nfs/dbraw/zinc/26/30/70/922263070.db2.gz NHQZODOKELQCLR-UHFFFAOYSA-N -1 3 256.252 1.039 10 10 CDCEHM COCC1(C2CC2)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC001330019640 956236314 /nfs/dbraw/zinc/23/63/14/956236314.db2.gz VDZPDMAHIMTQIX-UHFFFAOYSA-N -1 3 277.320 1.596 10 10 CDCEHM O=C([N-]c1c2nonc2ccc1Cl)c1cccnn1 ZINC001520359807 970176336 /nfs/dbraw/zinc/17/63/36/970176336.db2.gz WQZUTXBJFJLDRL-UHFFFAOYSA-N -1 3 275.655 1.919 10 10 CDCEHM COC(=O)c1nccc(NCc2c([O-])cccc2F)n1 ZINC001472883201 970720731 /nfs/dbraw/zinc/72/07/31/970720731.db2.gz JLZIVMRQAAPWNK-UHFFFAOYSA-N -1 3 277.255 1.142 10 10 CDCEHM O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(O)c1[O-] ZINC000248751639 377322658 /nfs/dbraw/zinc/32/26/58/377322658.db2.gz OSZQJQOKOGLODY-NDMJEZRESA-N -1 3 277.320 1.785 10 10 CDCEHM COC(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272536225 263006071 /nfs/dbraw/zinc/00/60/71/263006071.db2.gz BEODKUDJCUEPEK-SECBINFHSA-N -1 3 279.292 1.041 10 10 CDCEHM Cc1cn2c(n1)CN(Cc1cc3c(cc1[O-])OCO3)CC2 ZINC000378623695 329056840 /nfs/dbraw/zinc/05/68/40/329056840.db2.gz PZEIKIUMSWWEIH-UHFFFAOYSA-N -1 3 287.319 1.642 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2CCO)c1[O-] ZINC000767588798 576208182 /nfs/dbraw/zinc/20/81/82/576208182.db2.gz NSBYNPLNWJJXGF-ZDUSSCGKSA-N -1 3 297.326 1.317 10 10 CDCEHM CC[C@H](NCc1cnn(C)n1)c1ccc(F)cc1[O-] ZINC000806168430 617312150 /nfs/dbraw/zinc/31/21/50/617312150.db2.gz MEAFHUYRWNUCKV-LBPRGKRZSA-N -1 3 264.304 1.901 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)NOCC1CC1 ZINC000922602351 618296351 /nfs/dbraw/zinc/29/63/51/618296351.db2.gz CHFCREXMRJNTLR-UHFFFAOYSA-N -1 3 254.261 1.672 10 10 CDCEHM O=C(NCCN=S1(=O)CCCC1)c1cccc(O)c1[O-] ZINC000898429280 621734260 /nfs/dbraw/zinc/73/42/60/621734260.db2.gz ZPFZDZVFYUSNMA-UHFFFAOYSA-N -1 3 298.364 1.089 10 10 CDCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1nncn1C ZINC000905146863 626658294 /nfs/dbraw/zinc/65/82/94/626658294.db2.gz DUROSBMPOMTFHK-QMMMGPOBSA-N -1 3 293.302 1.220 10 10 CDCEHM C/C=C/C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OCC ZINC001632615332 1166363121 /nfs/dbraw/zinc/36/31/21/1166363121.db2.gz MHUJSGFCCAWJJN-TZNOJPMFSA-N -1 3 293.319 1.726 10 10 CDCEHM Cc1ccc(C(=O)Nc2ccc[n+]([O-])c2)c([O-])c1O ZINC001641417379 1167106226 /nfs/dbraw/zinc/10/62/26/1167106226.db2.gz ZGOQHLLOYOTTBW-UHFFFAOYSA-N -1 3 260.249 1.292 10 10 CDCEHM CO[C@@H](C(=O)NCc1c([O-])cccc1F)C(C)C ZINC000928708353 726364600 /nfs/dbraw/zinc/36/46/00/726364600.db2.gz KBQFDGPUPIWHBF-GFCCVEGCSA-N -1 3 255.289 1.819 10 10 CDCEHM CCOCCONC(=O)NCc1c([O-])cccc1F ZINC000922035185 727344173 /nfs/dbraw/zinc/34/41/73/727344173.db2.gz BIXIXWRCYDDRIL-UHFFFAOYSA-N -1 3 272.276 1.299 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C(F)(F)C1(O)CCC1 ZINC000928706729 727391224 /nfs/dbraw/zinc/39/12/24/727391224.db2.gz YMURONMHDNBDHP-UHFFFAOYSA-N -1 3 289.253 1.698 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCc2nncn2C1 ZINC000928706675 727397130 /nfs/dbraw/zinc/39/71/30/727397130.db2.gz USFPFKOIWOWNQA-SECBINFHSA-N -1 3 290.298 1.002 10 10 CDCEHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@H](CO)C2)c(Cl)c1 ZINC000840941859 727433365 /nfs/dbraw/zinc/43/33/65/727433365.db2.gz OEWVVFOVRMDZGD-MNOVXSKESA-N -1 3 285.771 1.936 10 10 CDCEHM Cc1cc([O-])c(CN2CC(S(C)(=O)=O)C2)c(Cl)c1 ZINC000841887262 727858189 /nfs/dbraw/zinc/85/81/89/727858189.db2.gz KBCRPSYEOSGHKL-UHFFFAOYSA-N -1 3 289.784 1.583 10 10 CDCEHM CC[C@](C)(OC)C(=O)NCc1c([O-])cccc1F ZINC000928709053 728010997 /nfs/dbraw/zinc/01/09/97/728010997.db2.gz WVMVQPXILCMKPT-ZDUSSCGKSA-N -1 3 255.289 1.963 10 10 CDCEHM O=C(NCc1c(O)cccc1O)c1cncc([O-])c1 ZINC001647270680 1168509713 /nfs/dbraw/zinc/50/97/13/1168509713.db2.gz WTZBVQSRGVCFOE-UHFFFAOYSA-N -1 3 260.249 1.128 10 10 CDCEHM CC(C)CN(CC(N)=O)Cc1ccc(F)c(F)c1[O-] ZINC000703562290 922760363 /nfs/dbraw/zinc/76/03/63/922760363.db2.gz IBDDSIUIYIPLRA-UHFFFAOYSA-N -1 3 272.295 1.614 10 10 CDCEHM COCCCOCCC(=O)NCc1c([O-])cccc1F ZINC000928705082 933173282 /nfs/dbraw/zinc/17/32/82/933173282.db2.gz DHIFRHAEAUTIPW-UHFFFAOYSA-N -1 3 285.315 1.591 10 10 CDCEHM CO[C@H](C)CN(C(=O)c1cccc(O)c1[O-])C(C)C ZINC000688049839 934528848 /nfs/dbraw/zinc/52/88/48/934528848.db2.gz LEUZGIBEOHFWDS-SNVBAGLBSA-N -1 3 267.325 1.983 10 10 CDCEHM COC(=O)c1ccc(NCc2c([O-])cccc2F)nn1 ZINC001164185848 939427656 /nfs/dbraw/zinc/42/76/56/939427656.db2.gz TUTMASCBSNOQPL-UHFFFAOYSA-N -1 3 277.255 1.720 10 10 CDCEHM COc1c([O-])c(CN2CC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC001345228747 964638698 /nfs/dbraw/zinc/63/86/98/964638698.db2.gz HXIQTHXHSHPDSO-AWEZNQCLSA-N -1 3 294.307 1.674 10 10 CDCEHM C[C@@](O)(CNCc1cccc(F)c1[O-])C(F)(F)F ZINC000272243926 365148922 /nfs/dbraw/zinc/14/89/22/365148922.db2.gz AZUWIHHGLFFAPZ-SNVBAGLBSA-N -1 3 267.222 1.934 10 10 CDCEHM [O-]c1ccccc1CNCc1nnc2ccccn21 ZINC000020185375 171048669 /nfs/dbraw/zinc/04/86/69/171048669.db2.gz XCJINMXDJNVVKR-UHFFFAOYSA-N -1 3 254.293 1.725 10 10 CDCEHM CCn1cnc(S(=O)(=O)[N-]CCc2ccc(N)cc2)c1 ZINC000092889927 260272450 /nfs/dbraw/zinc/27/24/50/260272450.db2.gz WNBVIFRMPBZJJF-UHFFFAOYSA-N -1 3 294.380 1.006 10 10 CDCEHM C[C@H]1CN(Cc2ccccc2[O-])CCS1(=O)=O ZINC000156320022 261120307 /nfs/dbraw/zinc/12/03/07/261120307.db2.gz LCNIIBFYBUWRIE-JTQLQIEISA-N -1 3 255.339 1.011 10 10 CDCEHM CCS(=O)(=O)CCNCc1cccc(F)c1[O-] ZINC000226590864 329261686 /nfs/dbraw/zinc/26/16/86/329261686.db2.gz GKSHSBCPAGTEBP-UHFFFAOYSA-N -1 3 261.318 1.056 10 10 CDCEHM COC(=O)[C@@H](CF)NCc1cc(Cl)cc(OC)c1[O-] ZINC000290190940 523577047 /nfs/dbraw/zinc/57/70/47/523577047.db2.gz ORHLOGAXMMRPOT-SECBINFHSA-N -1 3 291.706 1.655 10 10 CDCEHM COc1cccc([O-])c1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000769471574 576357133 /nfs/dbraw/zinc/35/71/33/576357133.db2.gz VWCFPLTUOPAYEJ-LBPRGKRZSA-N -1 3 291.269 1.900 10 10 CDCEHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2cc([O-])cs2)CC1=O ZINC000743772672 576653650 /nfs/dbraw/zinc/65/36/50/576653650.db2.gz QYWYNTZUJIHQFM-WEDXCCLWSA-N -1 3 280.349 1.193 10 10 CDCEHM O=C(NCC[C@@H](O)C(F)(F)F)c1cc([O-])cs1 ZINC000748419123 576911679 /nfs/dbraw/zinc/91/16/79/576911679.db2.gz LTFZTJQCWIDQJH-SSDOTTSWSA-N -1 3 269.244 1.497 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@H](F)C2)c1[O-] ZINC000934573779 617663841 /nfs/dbraw/zinc/66/38/41/617663841.db2.gz HBUVPCPBJHVESE-CHWSQXEVSA-N -1 3 285.290 1.639 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cc2n(n1)CCCO2 ZINC000928707175 620505271 /nfs/dbraw/zinc/50/52/71/620505271.db2.gz BRXMIMOKWTUJAP-UHFFFAOYSA-N -1 3 291.282 1.440 10 10 CDCEHM COC(=O)NC(C)(C)C(=O)NCc1c([O-])cccc1F ZINC000928712830 620507743 /nfs/dbraw/zinc/50/77/43/620507743.db2.gz ZHOFPESDXUWDMW-UHFFFAOYSA-N -1 3 284.287 1.282 10 10 CDCEHM O=C(NC[C@@H]1CC2(CCC2)CO1)c1cccc(O)c1[O-] ZINC000899423393 622246619 /nfs/dbraw/zinc/24/66/19/622246619.db2.gz CGKYLTBOJCRNTD-JTQLQIEISA-N -1 3 277.320 1.787 10 10 CDCEHM [O-]c1cccc(F)c1CNC(=S)NCC1CC1 ZINC000905661553 626906104 /nfs/dbraw/zinc/90/61/04/626906104.db2.gz OFYDESHRHOQNRO-UHFFFAOYSA-N -1 3 254.330 1.905 10 10 CDCEHM C[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921754428 633268001 /nfs/dbraw/zinc/26/80/01/633268001.db2.gz LCHHJONOWWSOON-NXEZZACHSA-N -1 3 282.315 1.898 10 10 CDCEHM CC(C)OCCO[N-]C(=O)Cc1ccc(O)c(O)c1 ZINC001624845642 1165869472 /nfs/dbraw/zinc/86/94/72/1165869472.db2.gz FLBZGKFBYNGKKF-UHFFFAOYSA-N -1 3 269.297 1.113 10 10 CDCEHM Nc1noc2cc(CNC(=O)c3cccc(O)c3[O-])ccc12 ZINC001626969599 1165970790 /nfs/dbraw/zinc/97/07/90/1165970790.db2.gz BWXRJERSMAPYOO-UHFFFAOYSA-N -1 3 299.286 1.751 10 10 CDCEHM Cn1cc(Cl)c(C(=O)NCc2c([O-])cccc2F)n1 ZINC001635366864 1166582159 /nfs/dbraw/zinc/58/21/59/1166582159.db2.gz OWNVVOBUEYYZFH-UHFFFAOYSA-N -1 3 283.690 1.848 10 10 CDCEHM Cc1cc([O-])c(CN2C[C@@H]3COC[C@H](C2)O3)c(Cl)c1 ZINC000840943424 728827443 /nfs/dbraw/zinc/82/74/43/728827443.db2.gz UHZWRNFMLBKVDX-PHIMTYICSA-N -1 3 283.755 1.954 10 10 CDCEHM CC(C)O[C@]1(CNC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000928751011 728898646 /nfs/dbraw/zinc/89/86/46/728898646.db2.gz DJMYSDCSNNKGNN-HNNXBMFYSA-N -1 3 295.335 1.412 10 10 CDCEHM O=C(N[C@H]1CCCC[C@H]1CO)c1cccc(O)c1[O-] ZINC000187216609 729094198 /nfs/dbraw/zinc/09/41/98/729094198.db2.gz FYJGLRQKHZDOOL-ONGXEEELSA-N -1 3 265.309 1.379 10 10 CDCEHM COC(=O)C1=CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000862662301 729323922 /nfs/dbraw/zinc/32/39/22/729323922.db2.gz UZIKTBDTRLHFRW-VIFPVBQESA-N -1 3 277.276 1.089 10 10 CDCEHM O=C(C[C@H]1COC(=O)C1)NCc1c([O-])cccc1F ZINC000928706525 729490999 /nfs/dbraw/zinc/49/09/99/729490999.db2.gz VVRIQPGYPNCEKV-MRVPVSSYSA-N -1 3 267.256 1.101 10 10 CDCEHM COCC[C@@H](C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452054 729508506 /nfs/dbraw/zinc/50/85/06/729508506.db2.gz BPVHEIZCHLMERF-SECBINFHSA-N -1 3 291.344 1.376 10 10 CDCEHM CCCN(C)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000830184325 729602925 /nfs/dbraw/zinc/60/29/25/729602925.db2.gz ACPLSSNZEFDNPV-UHFFFAOYSA-N -1 3 280.296 1.669 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@](O)(CO)C1 ZINC000839153672 730006631 /nfs/dbraw/zinc/00/66/31/730006631.db2.gz APETUMAGPDWKHN-ZDUSSCGKSA-N -1 3 289.734 1.504 10 10 CDCEHM Cn1cc(CNCc2cc(Cl)ccc2[O-])nn1 ZINC000389821330 730418504 /nfs/dbraw/zinc/41/85/04/730418504.db2.gz KEMIXMKORSYDBY-UHFFFAOYSA-N -1 3 252.705 1.464 10 10 CDCEHM C[C@H]1C(=O)N(C)CN1Cc1cc(Br)ccc1[O-] ZINC000843435369 937149635 /nfs/dbraw/zinc/14/96/35/937149635.db2.gz NIXOMYVDOCQFRU-QMMMGPOBSA-N -1 3 299.168 1.775 10 10 CDCEHM CNC(=O)[C@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000133591717 930419064 /nfs/dbraw/zinc/41/90/64/930419064.db2.gz SEESJAFTNNVWJL-LLVKDONJSA-N -1 3 268.744 1.756 10 10 CDCEHM O=C(CC1(O)CCCC1)NCc1c([O-])cccc1F ZINC000928706138 933173192 /nfs/dbraw/zinc/17/31/92/933173192.db2.gz RSKAJJXSOUEEPA-UHFFFAOYSA-N -1 3 267.300 1.843 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](C(F)F)CC1 ZINC000687292212 934271379 /nfs/dbraw/zinc/27/13/79/934271379.db2.gz CZWGWWDVLSIHFS-SNVBAGLBSA-N -1 3 287.262 1.594 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCN(CCCF)CC1 ZINC000402816312 940910663 /nfs/dbraw/zinc/91/06/63/940910663.db2.gz DDDUPNXFFBSTIP-UHFFFAOYSA-N -1 3 282.315 1.215 10 10 CDCEHM C[C@@H](O)CN1CCN(Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000180099110 357243495 /nfs/dbraw/zinc/24/34/95/357243495.db2.gz OHHQHDFZFNTGLD-VXGBXAGGSA-N -1 3 282.359 1.418 10 10 CDCEHM Cc1cc(C[C@@H](C)NC(=O)c2cccc(O)c2[O-])[nH]n1 ZINC000187196568 357740746 /nfs/dbraw/zinc/74/07/46/357740746.db2.gz SXHUPHJAMMGWFL-MRVPVSSYSA-N -1 3 275.308 1.490 10 10 CDCEHM CO[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1C ZINC000275938165 371205158 /nfs/dbraw/zinc/20/51/58/371205158.db2.gz HZYHTDVUKRNKJV-SKDRFNHKSA-N -1 3 265.309 1.595 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC2(CC(F)C2)C1 ZINC000790903738 1162176283 /nfs/dbraw/zinc/17/62/83/1162176283.db2.gz NYENHDDKPQSUBP-UHFFFAOYSA-N -1 3 251.257 1.672 10 10 CDCEHM COc1cccc([O-])c1CNCC(=O)NCc1ccco1 ZINC000725845121 574443773 /nfs/dbraw/zinc/44/37/73/574443773.db2.gz MCIFAEVVRYUVKR-UHFFFAOYSA-N -1 3 290.319 1.400 10 10 CDCEHM O=C(NCCCN1CCOC1=O)c1cc([O-])cs1 ZINC000732285598 575086933 /nfs/dbraw/zinc/08/69/33/575086933.db2.gz CNCJAZJMRWSBBA-UHFFFAOYSA-N -1 3 270.310 1.026 10 10 CDCEHM CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc([O-])cs3)[C@@H]2C1 ZINC000755305685 576939533 /nfs/dbraw/zinc/93/95/33/576939533.db2.gz AMWVVRQAVRPEED-IJLUTSLNSA-N -1 3 297.376 1.862 10 10 CDCEHM CO[C@H]1COCC[C@@H]1CC(=O)NCc1c([O-])cccc1F ZINC000928706316 620504364 /nfs/dbraw/zinc/50/43/64/620504364.db2.gz QNECXNODKDCOAV-YGRLFVJLSA-N -1 3 297.326 1.589 10 10 CDCEHM C[C@@H]1C[C@@H](CO)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000398783663 1158464909 /nfs/dbraw/zinc/46/49/09/1158464909.db2.gz POBGYDKXXVVNNT-NXEZZACHSA-N -1 3 265.309 1.188 10 10 CDCEHM O=C(Nc1ccc(OCCO)nc1)c1cccc(O)c1[O-] ZINC001598026504 1174303556 /nfs/dbraw/zinc/30/35/56/1174303556.db2.gz KKGBXZGKBAZJNR-UHFFFAOYSA-N -1 3 290.275 1.116 10 10 CDCEHM COC(=O)[C@H](NCc1cc(F)ccc1[O-])c1ccn(C)n1 ZINC000787438332 730545980 /nfs/dbraw/zinc/54/59/80/730545980.db2.gz OAMFVPOCZJAMJB-CYBMUJFWSA-N -1 3 293.298 1.269 10 10 CDCEHM O=C(NCc1ncccc1[O-])C1=CC(=O)CS1 ZINC000792681894 730614090 /nfs/dbraw/zinc/61/40/90/730614090.db2.gz RUKKZDUREVTKIC-UHFFFAOYSA-N -1 3 250.279 1.484 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@H]([C@H](C)O)C2)cc1Cl ZINC000826123434 730641399 /nfs/dbraw/zinc/64/13/99/730641399.db2.gz NPSMIETZGGRGNT-HZMBPMFUSA-N -1 3 285.771 1.936 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000839672283 730741121 /nfs/dbraw/zinc/74/11/21/730741121.db2.gz PWXFYVUZPYJCHN-QMTHXVAHSA-N -1 3 297.326 1.316 10 10 CDCEHM CN(C)c1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000841808152 731683445 /nfs/dbraw/zinc/68/34/45/731683445.db2.gz YZTCDPOCPHTLOI-CQSZACIVSA-N -1 3 288.351 1.402 10 10 CDCEHM COCC1(O)CN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840953513 732258413 /nfs/dbraw/zinc/25/84/13/732258413.db2.gz UABMOSLBTXPSGY-UHFFFAOYSA-N -1 3 271.744 1.547 10 10 CDCEHM CN1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825517347 733048249 /nfs/dbraw/zinc/04/82/49/733048249.db2.gz TYSDPPJOEOPZBT-QMMMGPOBSA-N -1 3 268.288 1.061 10 10 CDCEHM CC[C@H]([NH2+]Cc1nnc(COC)[n-]1)c1ccccc1[O-] ZINC000850515424 733085240 /nfs/dbraw/zinc/08/52/40/733085240.db2.gz XVSXYGPVBSTYLZ-NSHDSACASA-N -1 3 276.340 1.898 10 10 CDCEHM COC(=O)c1coc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC001641722873 1167132295 /nfs/dbraw/zinc/13/22/95/1167132295.db2.gz GAUDPXLNPWIMNE-UHFFFAOYSA-N -1 3 291.259 1.407 10 10 CDCEHM CO[C@H](CCNC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000787461214 929377743 /nfs/dbraw/zinc/37/77/43/929377743.db2.gz DZOFCXPJABAODT-SECBINFHSA-N -1 3 293.241 1.795 10 10 CDCEHM CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1c([O-])cccc1F ZINC000928711747 933174496 /nfs/dbraw/zinc/17/44/96/933174496.db2.gz PLANFEVCRFIDAX-VFZGTOFNSA-N -1 3 279.311 1.963 10 10 CDCEHM CN(C)Cc1cc(C(=O)NCc2c([O-])cccc2F)no1 ZINC001332462710 957575220 /nfs/dbraw/zinc/57/52/20/957575220.db2.gz CHONGZRQYAUQGQ-UHFFFAOYSA-N -1 3 293.298 1.511 10 10 CDCEHM Cc1ccc(C(=O)Nc2cnc3n[nH]cc3c2)c([O-])c1O ZINC001456343528 968942846 /nfs/dbraw/zinc/94/28/46/968942846.db2.gz ZTFTYNUBDPIUAT-UHFFFAOYSA-N -1 3 284.275 1.930 10 10 CDCEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccnn2C)c1 ZINC000273399327 365493390 /nfs/dbraw/zinc/49/33/90/365493390.db2.gz MRTYJFPAIGPYHO-JTQLQIEISA-N -1 3 289.335 1.763 10 10 CDCEHM C[C@@H](NCc1ccnn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273419052 365495298 /nfs/dbraw/zinc/49/52/98/365495298.db2.gz RRQGRKCQXWELDS-SECBINFHSA-N -1 3 276.296 1.885 10 10 CDCEHM CN(C)C(=O)CN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000294905734 391670950 /nfs/dbraw/zinc/67/09/50/391670950.db2.gz MXHNNZUQOYIYEE-UHFFFAOYSA-N -1 3 274.723 1.705 10 10 CDCEHM Cn1cc(Cl)c(CNC(=O)c2cccc(O)c2[O-])n1 ZINC000393654362 1159411759 /nfs/dbraw/zinc/41/17/59/1159411759.db2.gz ZNUUTEKGAADXSL-UHFFFAOYSA-N -1 3 281.699 1.415 10 10 CDCEHM CCOC(=O)[C@@H](C)N[C@@H](C)c1ccc(O)cc1[O-] ZINC000049367885 521026107 /nfs/dbraw/zinc/02/61/07/521026107.db2.gz AYLVGIJWKHLLOE-DTWKUNHWSA-N -1 3 253.298 1.700 10 10 CDCEHM Cc1ccc(C(=O)N(C)[C@H]2CC[C@H](O)CC2)c([O-])c1O ZINC000276011323 526066475 /nfs/dbraw/zinc/06/64/75/526066475.db2.gz XGMRCJYRIJLHRQ-XYPYZODXSA-N -1 3 279.336 1.782 10 10 CDCEHM Cc1nnsc1CNCc1cccc(F)c1[O-] ZINC000292898105 526448206 /nfs/dbraw/zinc/44/82/06/526448206.db2.gz ZRWJDFNJSNSZMB-UHFFFAOYSA-N -1 3 253.302 1.981 10 10 CDCEHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000735522981 575475688 /nfs/dbraw/zinc/47/56/88/575475688.db2.gz QTNHLHIJVVADNT-LLVKDONJSA-N -1 3 296.392 1.927 10 10 CDCEHM O=C(Nc1ccnc(CO)c1)c1cc([O-])cs1 ZINC000765301832 576006521 /nfs/dbraw/zinc/00/65/21/576006521.db2.gz JRDUKHMWHIKMSR-UHFFFAOYSA-N -1 3 250.279 1.593 10 10 CDCEHM CCOc1ccc(CNCc2ccn(C)n2)c([O-])c1 ZINC000765791641 576055997 /nfs/dbraw/zinc/05/59/97/576055997.db2.gz QXFDAXJJDWLDLP-UHFFFAOYSA-N -1 3 261.325 1.814 10 10 CDCEHM Cc1cc([O-])c(CN2CCN3C(=O)NC[C@H]3C2)c(Cl)c1 ZINC000840922498 617835152 /nfs/dbraw/zinc/83/51/52/617835152.db2.gz LBHSMKBWZDUQMX-JTQLQIEISA-N -1 3 295.770 1.563 10 10 CDCEHM CO[C@]1(CO)CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895250294 619495196 /nfs/dbraw/zinc/49/51/96/619495196.db2.gz HJNIXVDIZNGIIZ-CQSZACIVSA-N -1 3 287.306 1.644 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1CCO ZINC000306080359 1159009344 /nfs/dbraw/zinc/00/93/44/1159009344.db2.gz HYVAAFDPMARGTF-VIFPVBQESA-N -1 3 251.282 1.085 10 10 CDCEHM O=C(NC1(c2ncon2)CCCC1)c1cccc(O)c1[O-] ZINC001597287475 1174265124 /nfs/dbraw/zinc/26/51/24/1174265124.db2.gz LELOOHUCEGQBGM-UHFFFAOYSA-N -1 3 289.291 1.680 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)OC1CCOCC1 ZINC000921452506 735834357 /nfs/dbraw/zinc/83/43/57/735834357.db2.gz RBHIACDLMZSTHK-UHFFFAOYSA-N -1 3 269.272 1.937 10 10 CDCEHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCO1 ZINC000126255926 734796055 /nfs/dbraw/zinc/79/60/55/734796055.db2.gz GSGMYINGXSADQF-KCJUWKMLSA-N -1 3 251.282 1.395 10 10 CDCEHM Cc1nc([C@@H](C)NCc2ccc(F)c(F)c2[O-])n[nH]1 ZINC000703286573 734873059 /nfs/dbraw/zinc/87/30/59/734873059.db2.gz PHGHZKXGXDPKJN-ZCFIWIBFSA-N -1 3 268.267 1.948 10 10 CDCEHM CC[C@@H](CS(=O)(=O)NCc1c([O-])cccc1F)OC ZINC000921450828 734965904 /nfs/dbraw/zinc/96/59/04/734965904.db2.gz GBCXUVJWWJEAGT-VIFPVBQESA-N -1 3 291.344 1.376 10 10 CDCEHM CC[C@H](CNC(=O)NCc1c([O-])cccc1F)OC ZINC000922542928 734995450 /nfs/dbraw/zinc/99/54/50/734995450.db2.gz HRMADHVRFOVHAI-SECBINFHSA-N -1 3 270.304 1.756 10 10 CDCEHM COC(=O)[C@@H](CF)NCc1cc(Cl)ccc1[O-] ZINC000809776285 735039781 /nfs/dbraw/zinc/03/97/81/735039781.db2.gz ACBILPWWHLUBAO-SECBINFHSA-N -1 3 261.680 1.646 10 10 CDCEHM COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1 ZINC000856214310 735826144 /nfs/dbraw/zinc/82/61/44/735826144.db2.gz QWPXGNQKXHMPHX-DTORHVGOSA-N -1 3 279.292 1.121 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CC12CCOCC2 ZINC000928704553 735885254 /nfs/dbraw/zinc/88/52/54/735885254.db2.gz BTLZFECCGOUUBG-LLVKDONJSA-N -1 3 279.311 1.964 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCC[C@@](O)(CO)C2)c1[O-] ZINC000313686974 736054466 /nfs/dbraw/zinc/05/44/66/736054466.db2.gz DMLRLJIPLYJIKD-HNNXBMFYSA-N -1 3 297.326 1.053 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N(CCCCO)C1CC1 ZINC001447181699 966718689 /nfs/dbraw/zinc/71/86/89/966718689.db2.gz NCQKUEZUIONWAD-UHFFFAOYSA-N -1 3 265.309 1.475 10 10 CDCEHM O=C(N[C@H]1CCCC[C@H]1O)c1cccc(O)c1[O-] ZINC000126382521 260350329 /nfs/dbraw/zinc/35/03/29/260350329.db2.gz YNZQVYNKTDSVIN-VHSXEESVSA-N -1 3 251.282 1.131 10 10 CDCEHM Cc1noc([C@H]2COCCN2Cc2ccccc2[O-])n1 ZINC000188480627 329369154 /nfs/dbraw/zinc/36/91/54/329369154.db2.gz ZLAHQMUNDNLDBB-GFCCVEGCSA-N -1 3 275.308 1.657 10 10 CDCEHM CC[C@H](c1ccccc1[O-])N1CCCS(=O)(=O)CC1 ZINC000233886949 333355683 /nfs/dbraw/zinc/35/56/83/333355683.db2.gz MONHLHPQSSUMSS-CYBMUJFWSA-N -1 3 283.393 1.964 10 10 CDCEHM COC(=O)CC1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000280036001 522931977 /nfs/dbraw/zinc/93/19/77/522931977.db2.gz OBFRGYZEQJMAMO-UHFFFAOYSA-N -1 3 293.319 1.704 10 10 CDCEHM CC(C)C(=O)N1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000731868493 575068636 /nfs/dbraw/zinc/06/86/36/575068636.db2.gz GUAQXHLKZYEOOJ-UHFFFAOYSA-N -1 3 296.392 1.831 10 10 CDCEHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc([O-])cs1 ZINC000732273575 575085529 /nfs/dbraw/zinc/08/55/29/575085529.db2.gz YVWGWIODGKERQN-JGVFFNPUSA-N -1 3 268.338 1.180 10 10 CDCEHM CCOc1ccc(CN2CC(=O)N(C)C2)c([O-])c1 ZINC000765635424 576046445 /nfs/dbraw/zinc/04/64/45/576046445.db2.gz INEKDQJDUKUIQX-UHFFFAOYSA-N -1 3 250.298 1.022 10 10 CDCEHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)CCC(=O)NC1 ZINC000928708540 620505763 /nfs/dbraw/zinc/50/57/63/620505763.db2.gz OHWVKCLEPYZQST-CQSZACIVSA-N -1 3 280.299 1.064 10 10 CDCEHM O=C(NC[C@H]1CC2(CCC2)CO1)c1cccc(O)c1[O-] ZINC000899423394 622246433 /nfs/dbraw/zinc/24/64/33/622246433.db2.gz CGKYLTBOJCRNTD-SNVBAGLBSA-N -1 3 277.320 1.787 10 10 CDCEHM CO[C@]1(C(=O)[O-])CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000901540879 624326094 /nfs/dbraw/zinc/32/60/94/624326094.db2.gz FPQYIVCXHPGWTQ-OAHLLOKOSA-N -1 3 296.342 1.567 10 10 CDCEHM COC(=O)CCCNC(=O)NCc1c([O-])cccc1F ZINC000913878823 630860662 /nfs/dbraw/zinc/86/06/62/630860662.db2.gz YVARVIRDLREJJF-UHFFFAOYSA-N -1 3 284.287 1.284 10 10 CDCEHM O=C(NOCc1ccccn1)c1cccc(O)c1[O-] ZINC001637586796 1166771752 /nfs/dbraw/zinc/77/17/52/1166771752.db2.gz KTUFMTHYEMVNNQ-UHFFFAOYSA-N -1 3 260.249 1.354 10 10 CDCEHM COc1nccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001645050312 1167361539 /nfs/dbraw/zinc/36/15/39/1167361539.db2.gz HAYHHYRYUQQAID-UHFFFAOYSA-N -1 3 277.255 1.260 10 10 CDCEHM NC(=O)C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000862535469 737078089 /nfs/dbraw/zinc/07/80/89/737078089.db2.gz NYLCOBNBXNJEEG-NSHDSACASA-N -1 3 284.743 1.122 10 10 CDCEHM CCN1CN(Cc2c([O-])cc(C)cc2Cl)CC1=O ZINC000840942326 738753040 /nfs/dbraw/zinc/75/30/40/738753040.db2.gz ZISHSGPHMQNKEY-UHFFFAOYSA-N -1 3 268.744 1.976 10 10 CDCEHM CC(=O)NCC(C)(C)C(=O)NCc1c([O-])cccc1F ZINC000928704971 738858908 /nfs/dbraw/zinc/85/89/08/738858908.db2.gz BOMBMICTBOCYIA-UHFFFAOYSA-N -1 3 282.315 1.310 10 10 CDCEHM Cn1nccc1CCNC(=O)NCc1c([O-])cccc1F ZINC000921974097 736875311 /nfs/dbraw/zinc/87/53/11/736875311.db2.gz BKRXKJBYCXAKGQ-UHFFFAOYSA-N -1 3 292.314 1.307 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@]2(CCSC2)C1 ZINC000843945813 738938098 /nfs/dbraw/zinc/93/80/98/738938098.db2.gz KBVYTJICCLLKPV-CQSZACIVSA-N -1 3 295.360 1.446 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@H]([C@H](C)O)C2)c(Cl)c1 ZINC000840977712 906796819 /nfs/dbraw/zinc/79/68/19/906796819.db2.gz JLCUGYLRURYOML-HZMBPMFUSA-N -1 3 285.771 1.936 10 10 CDCEHM O=C(Nc1cnn(CCF)c1)c1cccc(O)c1[O-] ZINC001453523648 968328170 /nfs/dbraw/zinc/32/81/70/968328170.db2.gz ZCNZOSNRPMCVIR-UHFFFAOYSA-N -1 3 265.244 1.516 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](C2CC2)C1 ZINC000365724565 360189403 /nfs/dbraw/zinc/18/94/03/360189403.db2.gz VDIOHPJRYYYPQK-LBPRGKRZSA-N -1 3 263.293 1.349 10 10 CDCEHM COC(=O)CCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000271313693 364980739 /nfs/dbraw/zinc/98/07/39/364980739.db2.gz VXLJFQMKUWMVDR-UHFFFAOYSA-N -1 3 281.308 1.479 10 10 CDCEHM CN1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294890455 371102174 /nfs/dbraw/zinc/10/21/74/371102174.db2.gz QVBTXAOZQHGFLG-QMMMGPOBSA-N -1 3 268.288 1.061 10 10 CDCEHM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1O ZINC000280043628 518942388 /nfs/dbraw/zinc/94/23/88/518942388.db2.gz ZPTHBBPPHQFKEL-DGCLKSJQSA-N -1 3 293.363 1.967 10 10 CDCEHM COc1ccccc1[C@H](O)CNC(=O)c1cc([O-])cs1 ZINC000732271391 575085222 /nfs/dbraw/zinc/08/52/22/575085222.db2.gz UWMRBMBNNYBFFD-LLVKDONJSA-N -1 3 293.344 1.926 10 10 CDCEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccn(C)n2)c1 ZINC000756779766 577003941 /nfs/dbraw/zinc/00/39/41/577003941.db2.gz VFSTUFPASMJTKP-SNVBAGLBSA-N -1 3 289.335 1.763 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000899627375 622334981 /nfs/dbraw/zinc/33/49/81/622334981.db2.gz NQMXOXYEBUZUNP-GWCFXTLKSA-N -1 3 277.320 1.739 10 10 CDCEHM Oc1c(CN=c2ncnc3[nH][n-]cc2-3)ccc2cccnc21 ZINC001640051516 1166988583 /nfs/dbraw/zinc/98/85/83/1166988583.db2.gz MWSWEXRIMAVMAB-UHFFFAOYSA-N -1 3 292.302 1.592 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000928710089 739260794 /nfs/dbraw/zinc/26/07/94/739260794.db2.gz GTZJRMNMXBJPRR-RKDXNWHRSA-N -1 3 275.283 1.674 10 10 CDCEHM C[C@@H]1C[C@H](C)[C@H](C(=O)NCc2c([O-])cccc2F)O1 ZINC000928707447 739934105 /nfs/dbraw/zinc/93/41/05/739934105.db2.gz DPTUXHCFSUCEMY-IGJMFERPSA-N -1 3 267.300 1.961 10 10 CDCEHM CC(=O)N[C@@](C)(C(=O)NCc1c([O-])cccc1F)C(C)C ZINC000830180746 739994781 /nfs/dbraw/zinc/99/47/81/739994781.db2.gz RWXNHPFISIGXGK-OAHLLOKOSA-N -1 3 296.342 1.698 10 10 CDCEHM CC[C@@H](CNC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000844022978 740517386 /nfs/dbraw/zinc/51/73/86/740517386.db2.gz GERUZBFBXRSWTD-QMMMGPOBSA-N -1 3 267.281 1.027 10 10 CDCEHM Cc1cnn(C)c1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452516 740532235 /nfs/dbraw/zinc/53/22/35/740532235.db2.gz RHCWQMOGDNAOQD-UHFFFAOYSA-N -1 3 299.327 1.052 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCc2nncn2C1 ZINC000928706676 740926703 /nfs/dbraw/zinc/92/67/03/740926703.db2.gz USFPFKOIWOWNQA-VIFPVBQESA-N -1 3 290.298 1.002 10 10 CDCEHM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1cccc(O)c1[O-] ZINC000855919454 740967024 /nfs/dbraw/zinc/96/70/24/740967024.db2.gz DBJZWSWBNJSPDK-GHMZBOCLSA-N -1 3 263.293 1.131 10 10 CDCEHM Cc1cc(CC(=O)[N-]OCCO)c(C)n1-c1ccccc1 ZINC000832405111 741882998 /nfs/dbraw/zinc/88/29/98/741882998.db2.gz GYILRTWYZGUSEP-UHFFFAOYSA-N -1 3 288.347 1.677 10 10 CDCEHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)CCOC1 ZINC000928707728 740924165 /nfs/dbraw/zinc/92/41/65/740924165.db2.gz HEGOMNSSZPNCBW-CYBMUJFWSA-N -1 3 253.273 1.574 10 10 CDCEHM Cn1nccc1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000928367540 741389883 /nfs/dbraw/zinc/38/98/83/741389883.db2.gz IFOZDRWAYXFBHU-LBPRGKRZSA-N -1 3 287.319 1.809 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H]1C(F)(F)F ZINC000854520370 742810170 /nfs/dbraw/zinc/81/01/70/742810170.db2.gz OEYUTAAKVWTPDK-QMMMGPOBSA-N -1 3 261.199 1.875 10 10 CDCEHM O=C(NCC(O)(C1CC1)C1CC1)c1cccc(O)c1[O-] ZINC000689600550 936775610 /nfs/dbraw/zinc/77/56/10/936775610.db2.gz ISEXQUIZQNGUMT-UHFFFAOYSA-N -1 3 277.320 1.379 10 10 CDCEHM Cc1cc([O-])c(CN2CN(C)C(=O)[C@H]2C)cc1Cl ZINC001327889930 935118470 /nfs/dbraw/zinc/11/84/70/935118470.db2.gz CJVQIXMPHRPBGD-SECBINFHSA-N -1 3 268.744 1.974 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001522777549 970553033 /nfs/dbraw/zinc/55/30/33/970553033.db2.gz OIEILHYXMKGBEF-ZYHUDNBSSA-N -1 3 277.320 1.739 10 10 CDCEHM CC(=O)c1cc(Cl)cc(CN2C[C@H](O)C[C@@H]2CO)c1[O-] ZINC000185176063 357517948 /nfs/dbraw/zinc/51/79/48/357517948.db2.gz IIFKKOIMKRCMHG-VXGBXAGGSA-N -1 3 299.754 1.176 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCN2C(=O)OCC[C@H]2C1 ZINC000765403802 576016673 /nfs/dbraw/zinc/01/66/73/576016673.db2.gz NXXOFFGFGNYGGC-QMMMGPOBSA-N -1 3 282.321 1.120 10 10 CDCEHM C[C@@H]1C[C@@H](NCc2cn(C)nn2)c2c1c(F)ccc2[O-] ZINC000757654289 577048290 /nfs/dbraw/zinc/04/82/90/577048290.db2.gz DIKURFAPAILMFX-LDYMZIIASA-N -1 3 276.315 1.998 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897907185 621215333 /nfs/dbraw/zinc/21/53/33/621215333.db2.gz RPGQVMVCTNHCKM-WVHQUNFXSA-N -1 3 292.310 1.506 10 10 CDCEHM Cn1nc(C2CC2)nc1C(=O)NCc1c([O-])cccc1F ZINC000902944712 625629534 /nfs/dbraw/zinc/62/95/34/625629534.db2.gz KURBZOYYOARPNO-UHFFFAOYSA-N -1 3 290.298 1.467 10 10 CDCEHM O=C(COc1ccsn1)NCc1c([O-])cccc1F ZINC001635366953 1166581307 /nfs/dbraw/zinc/58/13/07/1166581307.db2.gz SWJJLLWHXUOMOV-UHFFFAOYSA-N -1 3 282.296 1.683 10 10 CDCEHM Cc1ccc2nnc(CNC(=O)c3cccc(O)c3[O-])n2c1 ZINC001643119944 1167227868 /nfs/dbraw/zinc/22/78/68/1167227868.db2.gz GUTRNWJLRVQAEK-UHFFFAOYSA-N -1 3 298.302 1.379 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1n[nH]cc1F ZINC001645050767 1167361523 /nfs/dbraw/zinc/36/15/23/1167361523.db2.gz QDONTQFKGTZFPF-UHFFFAOYSA-N -1 3 253.208 1.324 10 10 CDCEHM Cc1cc(NC(=O)c2cccc(O)c2[O-])cc(C(N)=O)c1 ZINC001569354741 1169791668 /nfs/dbraw/zinc/79/16/68/1169791668.db2.gz HFIGNQFUKHCCMM-UHFFFAOYSA-N -1 3 286.287 1.757 10 10 CDCEHM Cc1nnc([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)[nH]1 ZINC001570396819 1170152349 /nfs/dbraw/zinc/15/23/49/1170152349.db2.gz TZEBWOTXHLYNGW-SECBINFHSA-N -1 3 288.307 1.154 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCCc2cc[nH]c(=O)c21 ZINC001586062050 1172930233 /nfs/dbraw/zinc/93/02/33/1172930233.db2.gz VNSNMBLNDRCWSJ-UHFFFAOYSA-N -1 3 286.287 1.791 10 10 CDCEHM CC[C@](C)(CCO)NC(=O)c1cccc(O)c1[O-] ZINC000228539712 1175767941 /nfs/dbraw/zinc/76/79/41/1175767941.db2.gz DLTLXWSKGIQCNW-CYBMUJFWSA-N -1 3 253.298 1.379 10 10 CDCEHM CCCn1nccc1NC(=O)c1cccc(O)c1[O-] ZINC000192985065 745872279 /nfs/dbraw/zinc/87/22/79/745872279.db2.gz IBOPRSQWLAZKEZ-UHFFFAOYSA-N -1 3 261.281 1.957 10 10 CDCEHM CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])[C@@H]1SC ZINC000844066068 746080404 /nfs/dbraw/zinc/08/04/04/746080404.db2.gz SHDUOIRUIWMMBY-XWIASGKRSA-N -1 3 297.376 1.737 10 10 CDCEHM CCCNC(=O)CCC(=O)NCc1c([O-])cccc1F ZINC000928712310 746235761 /nfs/dbraw/zinc/23/57/61/746235761.db2.gz QRGJMSAESUFEAP-UHFFFAOYSA-N -1 3 282.315 1.454 10 10 CDCEHM CC[C@@H](C)C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000843940760 746754310 /nfs/dbraw/zinc/75/43/10/746754310.db2.gz WCSWSLWYYXXWPJ-KOLCDFICSA-N -1 3 295.335 1.805 10 10 CDCEHM CC1=NO[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000923529240 747879787 /nfs/dbraw/zinc/87/97/87/747879787.db2.gz ZZTISZYMLYHSCY-VIFPVBQESA-N -1 3 281.287 1.495 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC[C@H]1CCO ZINC000922100879 748048778 /nfs/dbraw/zinc/04/87/78/748048778.db2.gz QITSFWYBRXUIMH-GXFFZTMASA-N -1 3 296.342 1.882 10 10 CDCEHM CC(C)(C)n1cnc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000928706683 748053801 /nfs/dbraw/zinc/05/38/01/748053801.db2.gz UXFVYRFKEOEOPW-UHFFFAOYSA-N -1 3 292.314 1.808 10 10 CDCEHM Cn1ncc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000816610111 749072894 /nfs/dbraw/zinc/07/28/94/749072894.db2.gz YJSYMHBDRMOSFK-UHFFFAOYSA-N -1 3 270.695 1.603 10 10 CDCEHM CC[C@@H](C[C@@H](C)O)NC(=O)c1cccc(O)c1[O-] ZINC000716888110 910705984 /nfs/dbraw/zinc/70/59/84/910705984.db2.gz IFLLYZOKDNJVTA-BDAKNGLRSA-N -1 3 253.298 1.377 10 10 CDCEHM O=C([O-])[C@]1(C[NH2+]Cc2ccccc2[O-])CCCOC1 ZINC001262158601 946476171 /nfs/dbraw/zinc/47/61/71/946476171.db2.gz QPWBPBYEKCFHGT-AWEZNQCLSA-N -1 3 265.309 1.363 10 10 CDCEHM CN(Cc1noc(C2CC2)n1)C(=O)c1cccc(O)c1[O-] ZINC001451390865 967944045 /nfs/dbraw/zinc/94/40/45/967944045.db2.gz HDKGDIXBWSAQAM-UHFFFAOYSA-N -1 3 289.291 1.630 10 10 CDCEHM CCN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCNC1=O ZINC000294538081 199077565 /nfs/dbraw/zinc/07/75/65/199077565.db2.gz DNTOSGJUUVUVJI-NSHDSACASA-N -1 3 286.734 1.895 10 10 CDCEHM O=C(CNCc1cc(Cl)c(F)cc1[O-])NCC1CC1 ZINC000293706564 370759369 /nfs/dbraw/zinc/75/93/69/370759369.db2.gz UGXKXYRMZJAGPM-UHFFFAOYSA-N -1 3 286.734 1.801 10 10 CDCEHM Cc1ccc(C(=O)N(C)[C@H]2CCOC2)c([O-])c1O ZINC000272741937 365375439 /nfs/dbraw/zinc/37/54/39/365375439.db2.gz IOKUTKYUHMGXIH-VIFPVBQESA-N -1 3 251.282 1.267 10 10 CDCEHM C[C@@H](N[C@H]1CCCNC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296535840 296162597 /nfs/dbraw/zinc/16/25/97/296162597.db2.gz QRQWJADMFIEKLX-KCJUWKMLSA-N -1 3 279.296 1.230 10 10 CDCEHM CCOC(=O)c1cc2ccc(O)c([O-])c2c(=O)c(O)c1 ZINC000006350446 170194668 /nfs/dbraw/zinc/19/46/68/170194668.db2.gz GJZRNPKPWSCKLL-UHFFFAOYSA-N -1 3 276.244 1.494 10 10 CDCEHM CCOC(=O)c1cc2ccc(O)c(=O)c-2c([O-])c(O)c1 ZINC000006350446 170194669 /nfs/dbraw/zinc/19/46/69/170194669.db2.gz GJZRNPKPWSCKLL-UHFFFAOYSA-N -1 3 276.244 1.494 10 10 CDCEHM O=C(NCc1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC000040565065 174337035 /nfs/dbraw/zinc/33/70/35/174337035.db2.gz SNDBSPLMZQWYCG-UHFFFAOYSA-N -1 3 259.261 1.733 10 10 CDCEHM CCCN(CC(=O)NC)Cc1cccc(F)c1[O-] ZINC000160219021 264236851 /nfs/dbraw/zinc/23/68/51/264236851.db2.gz GOIYZNNOBXWGQX-UHFFFAOYSA-N -1 3 254.305 1.489 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2COC[C@H]2C1 ZINC000690765882 1159368171 /nfs/dbraw/zinc/36/81/71/1159368171.db2.gz MNMFERMXHWKLPX-VHSXEESVSA-N -1 3 263.293 1.206 10 10 CDCEHM COC(=O)CCCCNC(=O)c1cccc(O)c1[O-] ZINC000274989499 523002488 /nfs/dbraw/zinc/00/24/88/523002488.db2.gz MMYKPVJIDZPZHK-UHFFFAOYSA-N -1 3 267.281 1.171 10 10 CDCEHM CN1CCO[C@@H](CNCc2c([O-])cccc2Cl)C1 ZINC000083552478 523939133 /nfs/dbraw/zinc/93/91/33/523939133.db2.gz UXRCCRMFZZQRAB-JTQLQIEISA-N -1 3 270.760 1.466 10 10 CDCEHM O=C(NCCCn1cncn1)NCc1c([O-])cccc1F ZINC000914008538 630955662 /nfs/dbraw/zinc/95/56/62/630955662.db2.gz KEQOEVSFZGFKBG-UHFFFAOYSA-N -1 3 293.302 1.012 10 10 CDCEHM O=C(Nc1cnn2ccccc12)c1cccc(O)c1[O-] ZINC001454253176 1167734862 /nfs/dbraw/zinc/73/48/62/1167734862.db2.gz ZLXXZUPYCZYEOH-UHFFFAOYSA-N -1 3 269.260 1.998 10 10 CDCEHM O=C(N[C@H]1CCn2cncc21)c1cccc(O)c1[O-] ZINC001647819874 1169061748 /nfs/dbraw/zinc/06/17/48/1169061748.db2.gz OBPNBXWCXXLYPN-VIFPVBQESA-N -1 3 259.265 1.169 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCc2nc(F)ccc21 ZINC001585915226 1172923637 /nfs/dbraw/zinc/92/36/37/1172923637.db2.gz FCZGJSSOHLOWSQ-UHFFFAOYSA-N -1 3 274.251 1.835 10 10 CDCEHM C[C@@]1(CCC(=O)NCc2c([O-])cccc2F)CCC(=O)N1 ZINC000928706147 751839719 /nfs/dbraw/zinc/83/97/19/751839719.db2.gz RYVRCSNLKHCCBD-OAHLLOKOSA-N -1 3 294.326 1.596 10 10 CDCEHM C[C@@H](C[S@](C)=O)NC(=O)NCc1c([O-])cccc1F ZINC000921924291 752031828 /nfs/dbraw/zinc/03/18/28/752031828.db2.gz NROSKKVGWDVKMH-RLBGWGEZSA-N -1 3 288.344 1.098 10 10 CDCEHM CC1(C)OC[C@H]2C[C@]21C(=O)NCc1c([O-])cccc1F ZINC000928711746 752146560 /nfs/dbraw/zinc/14/65/60/752146560.db2.gz PLANFEVCRFIDAX-RFAUZJTJSA-N -1 3 279.311 1.963 10 10 CDCEHM CCON(C)C(=O)CNCc1cc(Cl)cc(F)c1[O-] ZINC000846063748 749451666 /nfs/dbraw/zinc/45/16/66/749451666.db2.gz HHOZVOYPSBDGKA-UHFFFAOYSA-N -1 3 290.722 1.684 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@@H](CC(N)=O)C2)c(Cl)c1 ZINC000862535456 750085449 /nfs/dbraw/zinc/08/54/49/750085449.db2.gz NSFHTKNZKWLLCA-JTQLQIEISA-N -1 3 298.770 1.430 10 10 CDCEHM C[C@H]1CCCN(C(=O)C(=O)NCc2c([O-])cccc2F)C1 ZINC000928707349 750196962 /nfs/dbraw/zinc/19/69/62/750196962.db2.gz CZGAFMFJPLBGDM-JTQLQIEISA-N -1 3 294.326 1.406 10 10 CDCEHM C[C@@]12COC[C@@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000855836338 750303956 /nfs/dbraw/zinc/30/39/56/750303956.db2.gz WXSWTVFVLZCBOU-LKFCYVNXSA-N -1 3 263.293 1.206 10 10 CDCEHM COC(=O)C[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928705806 750515548 /nfs/dbraw/zinc/51/55/48/750515548.db2.gz NFDSBHDJSPGROE-MRVPVSSYSA-N -1 3 269.272 1.347 10 10 CDCEHM CCO[C@@H]1C[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711607 750579926 /nfs/dbraw/zinc/57/99/26/750579926.db2.gz JTKPAJWGBYPEGA-QPUJVOFHSA-N -1 3 253.273 1.573 10 10 CDCEHM CO[C@@H](C(=O)NCc1c([O-])cccc1F)[C@H]1CCOC1 ZINC000928707000 750834915 /nfs/dbraw/zinc/83/49/15/750834915.db2.gz ZMLZECMILHPJIQ-TVQRCGJNSA-N -1 3 283.299 1.199 10 10 CDCEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC23CC3)c1 ZINC000819625994 753418278 /nfs/dbraw/zinc/41/82/78/753418278.db2.gz QPACKRHHLYDEBV-LLVKDONJSA-N -1 3 296.348 1.046 10 10 CDCEHM C[C@@H](NC(=O)c1cnncc1[O-])c1ccccc1O ZINC001632250162 1166338920 /nfs/dbraw/zinc/33/89/20/1166338920.db2.gz LXOHHNWFWSHEJC-MRVPVSSYSA-N -1 3 259.265 1.379 10 10 CDCEHM C[C@@H](O)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001168136004 907359176 /nfs/dbraw/zinc/35/91/76/907359176.db2.gz RBNDUVFBRPUGDC-YGRLFVJLSA-N -1 3 287.315 1.950 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCc2nccnc2C1 ZINC001168187328 907762177 /nfs/dbraw/zinc/76/21/77/907762177.db2.gz MVEPPXMBCQRSMD-UHFFFAOYSA-N -1 3 271.276 1.086 10 10 CDCEHM O=C1c2ccccc2C(=O)c2c(O)c(CO)cc([O-])c21 ZINC000013327810 280331807 /nfs/dbraw/zinc/33/18/07/280331807.db2.gz KNWUNQIVFSTASV-UHFFFAOYSA-N -1 3 270.240 1.366 10 10 CDCEHM C[C@@H]1OCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928704505 620503204 /nfs/dbraw/zinc/50/32/04/620503204.db2.gz AGZDUIYFZDIPGI-DTWKUNHWSA-N -1 3 253.273 1.573 10 10 CDCEHM C[C@@H](CC(=O)NCc1c([O-])cccc1F)n1ccnc1 ZINC000928705924 620504779 /nfs/dbraw/zinc/50/47/79/620504779.db2.gz MOYPNKRABNOIRH-JTQLQIEISA-N -1 3 277.299 1.995 10 10 CDCEHM CCC(=O)N[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712085 620506724 /nfs/dbraw/zinc/50/67/24/620506724.db2.gz OMKZKPWQAUCKKL-MRVPVSSYSA-N -1 3 268.288 1.062 10 10 CDCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccnn1C ZINC000923940337 622014508 /nfs/dbraw/zinc/01/45/08/622014508.db2.gz WUUQJLLLMRHBQS-SECBINFHSA-N -1 3 292.314 1.825 10 10 CDCEHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(O)cc1O ZINC001643103858 1167225863 /nfs/dbraw/zinc/22/58/63/1167225863.db2.gz IDWMQQZFEUEAQP-UHFFFAOYSA-N -1 3 291.278 1.801 10 10 CDCEHM Cc1cc2nccc(NC(=O)c3cccc(O)c3[O-])n2n1 ZINC001647726560 1169053355 /nfs/dbraw/zinc/05/33/55/1169053355.db2.gz FKSWNGPALUVALR-UHFFFAOYSA-N -1 3 284.275 1.701 10 10 CDCEHM COc1cccc(CC(=O)NCc2c([O-])cccc2F)n1 ZINC001652298396 1171420623 /nfs/dbraw/zinc/42/06/23/1171420623.db2.gz JIZCJQWHXCMRGE-UHFFFAOYSA-N -1 3 290.294 1.794 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cn(CC2CC2)nn1 ZINC000928705860 754297332 /nfs/dbraw/zinc/29/73/32/754297332.db2.gz LZFBDSSPQPPPMF-UHFFFAOYSA-N -1 3 290.298 1.463 10 10 CDCEHM COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126503213 754604886 /nfs/dbraw/zinc/60/48/86/754604886.db2.gz KCIHWDJHMAQACL-JTQLQIEISA-N -1 3 279.292 1.266 10 10 CDCEHM CC1(C)OC[C@@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000921898902 754702249 /nfs/dbraw/zinc/70/22/49/754702249.db2.gz IVXINAYHBSSRPM-SECBINFHSA-N -1 3 298.314 1.482 10 10 CDCEHM CN(Cc1ccc(F)c(F)c1[O-])C[C@H]1CN(C)CCO1 ZINC000709422031 755218323 /nfs/dbraw/zinc/21/83/23/755218323.db2.gz KEMYMAJNUHJNPC-LLVKDONJSA-N -1 3 286.322 1.433 10 10 CDCEHM CCON(C)C(=O)CNCc1c([O-])ccc(Cl)c1F ZINC000846062374 755468295 /nfs/dbraw/zinc/46/82/95/755468295.db2.gz GCBQWDVZAKGNOJ-UHFFFAOYSA-N -1 3 290.722 1.684 10 10 CDCEHM CC(C)OCCS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452263 755491393 /nfs/dbraw/zinc/49/13/93/755491393.db2.gz JNKPXMIYVNFYLK-UHFFFAOYSA-N -1 3 291.344 1.376 10 10 CDCEHM CN1CCCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1=O ZINC000928712810 755863042 /nfs/dbraw/zinc/86/30/42/755863042.db2.gz VLVRADYLPYUNCN-JTQLQIEISA-N -1 3 294.326 1.406 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cn2c(n1)COCC2 ZINC000928707860 758283170 /nfs/dbraw/zinc/28/31/70/758283170.db2.gz DHHKLTMWMHISJJ-UHFFFAOYSA-N -1 3 291.282 1.188 10 10 CDCEHM NC(=O)c1ccc(F)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001441531372 964576182 /nfs/dbraw/zinc/57/61/82/964576182.db2.gz CNSKUPVRCSCFHJ-UHFFFAOYSA-N -1 3 290.250 1.588 10 10 CDCEHM [O-]c1c(F)cc(F)cc1CN1C[C@H](O)C2(CC2)C1 ZINC001350320071 966632031 /nfs/dbraw/zinc/63/20/31/966632031.db2.gz SZXKRWLQKSNTNM-NSHDSACASA-N -1 3 255.264 1.627 10 10 CDCEHM CC1(C)CN(Cc2cc(F)ccc2[O-])CCS1(=O)=O ZINC000180213578 357252072 /nfs/dbraw/zinc/25/20/72/357252072.db2.gz IAOKDFKAPVYYGU-UHFFFAOYSA-N -1 3 287.356 1.540 10 10 CDCEHM C[C@@H]1CCOCCN1C(=O)c1cccc(O)c1[O-] ZINC000365941307 360597082 /nfs/dbraw/zinc/59/70/82/360597082.db2.gz NHPJRVKESJQCTF-SECBINFHSA-N -1 3 251.282 1.349 10 10 CDCEHM C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000253092166 370215899 /nfs/dbraw/zinc/21/58/99/370215899.db2.gz KOKUWYJMOWVRJI-RYUDHWBXSA-N -1 3 290.363 1.797 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN[C@@]1(CO)CCOC1 ZINC000293647694 378594299 /nfs/dbraw/zinc/59/42/99/378594299.db2.gz ONMDYRWLJVJHQT-GFCCVEGCSA-N -1 3 275.707 1.426 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)c([O-])c1O ZINC000182841198 391246256 /nfs/dbraw/zinc/24/62/56/391246256.db2.gz YBYWOPUNLVCUTP-MNOVXSKESA-N -1 3 265.309 1.440 10 10 CDCEHM COC(=O)[C@@H](N[C@H](C)c1ccc(O)cc1[O-])C(C)C ZINC000035346493 172138287 /nfs/dbraw/zinc/13/82/87/172138287.db2.gz JOGXBZPKNURQLV-RNCFNFMXSA-N -1 3 267.325 1.946 10 10 CDCEHM Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)O3)c([O-])c1O ZINC000376851259 268024490 /nfs/dbraw/zinc/02/44/90/268024490.db2.gz JXJDUDNPFZTYAZ-AOOOYVTPSA-N -1 3 263.293 1.410 10 10 CDCEHM Cc1ccc(C(=O)N2CCCN(C3CC3)CC2)c([O-])c1O ZINC000182256945 329241355 /nfs/dbraw/zinc/24/13/55/329241355.db2.gz QBPGWAWCHIIRCL-UHFFFAOYSA-N -1 3 290.363 1.717 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)O1 ZINC000126192607 524872026 /nfs/dbraw/zinc/87/20/26/524872026.db2.gz RATKMQFSSPCLFE-RKDXNWHRSA-N -1 3 251.282 1.347 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C)c([O-])c1O ZINC000278480136 526201887 /nfs/dbraw/zinc/20/18/87/526201887.db2.gz KLKZKBKBGXDZIT-GXSJLCMTSA-N -1 3 265.309 1.561 10 10 CDCEHM O=C(NCC1(CO)CC2(CCC2)C1)c1cccc(O)c1[O-] ZINC000279171909 527566500 /nfs/dbraw/zinc/56/65/00/527566500.db2.gz RJQVHCVFFMSVIG-UHFFFAOYSA-N -1 3 291.347 1.770 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000765417946 576019255 /nfs/dbraw/zinc/01/92/55/576019255.db2.gz LBVWDYJFYBWGEF-MWLCHTKSSA-N -1 3 294.376 1.585 10 10 CDCEHM C[C@H]1C[C@@H](NCc2cn(C)nn2)c2c1c(F)ccc2[O-] ZINC000757654258 577048559 /nfs/dbraw/zinc/04/85/59/577048559.db2.gz DIKURFAPAILMFX-GZMMTYOYSA-N -1 3 276.315 1.998 10 10 CDCEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cnn(C)n2)c1 ZINC000806167432 617308672 /nfs/dbraw/zinc/30/86/72/617308672.db2.gz VVLQSGYUNALZRY-VIFPVBQESA-N -1 3 290.323 1.158 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1=CCCCO1 ZINC000928704512 620503061 /nfs/dbraw/zinc/50/30/61/620503061.db2.gz ALUCOFRISRVSAN-UHFFFAOYSA-N -1 3 251.257 1.842 10 10 CDCEHM CO[C@@]1(C(=O)[O-])CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000901540878 624325780 /nfs/dbraw/zinc/32/57/80/624325780.db2.gz FPQYIVCXHPGWTQ-HNNXBMFYSA-N -1 3 296.342 1.567 10 10 CDCEHM C[S@](=O)[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001649110247 1161381827 /nfs/dbraw/zinc/38/18/27/1161381827.db2.gz XPXSILZTJFFSKQ-LQJGKPAFSA-N -1 3 283.349 1.127 10 10 CDCEHM CCN1CCN(C(=O)c2cccc(O)c2[O-])C(C)(C)C1=O ZINC001634748850 1166536553 /nfs/dbraw/zinc/53/65/53/1166536553.db2.gz UTSAAKYLGKZTEH-UHFFFAOYSA-N -1 3 292.335 1.181 10 10 CDCEHM NC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])ccc1F ZINC001588088513 1173010492 /nfs/dbraw/zinc/01/04/92/1173010492.db2.gz UDBQFEYVTRDDJS-UHFFFAOYSA-N -1 3 290.250 1.588 10 10 CDCEHM CN(Cc1nccn1C)C(=O)c1cccc(O)c1[O-] ZINC000126400764 1175460383 /nfs/dbraw/zinc/46/03/83/1175460383.db2.gz GHZJJZLSGXLIHO-UHFFFAOYSA-N -1 3 261.281 1.104 10 10 CDCEHM CN(CC(=O)N1CCCC1)Cc1cccc(F)c1[O-] ZINC000160207287 1178355462 /nfs/dbraw/zinc/35/54/62/1178355462.db2.gz FVWMZZVREXMWCJ-UHFFFAOYSA-N -1 3 266.316 1.586 10 10 CDCEHM Cn1c(NC(=O)c2cccc(O)c2[O-])nnc1C1CC1 ZINC000855250982 758851119 /nfs/dbraw/zinc/85/11/19/758851119.db2.gz DOYNOFOVXRPFCP-UHFFFAOYSA-N -1 3 274.280 1.356 10 10 CDCEHM CC(C)(CNC(=O)c1cccc(O)c1[O-])[C@@]1(O)CCOC1 ZINC000844042234 768861798 /nfs/dbraw/zinc/86/17/98/768861798.db2.gz UNSZZKCJWJIECJ-OAHLLOKOSA-N -1 3 295.335 1.005 10 10 CDCEHM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000776355872 770695890 /nfs/dbraw/zinc/69/58/90/770695890.db2.gz POMKHJQPWHKIML-MWLCHTKSSA-N -1 3 292.335 1.262 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C2(CCC2)CO1 ZINC000846511625 772042176 /nfs/dbraw/zinc/04/21/76/772042176.db2.gz NKQSFNFIQNOPPE-SNVBAGLBSA-N -1 3 277.320 1.881 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H](OC(F)F)C1 ZINC000802306688 772321284 /nfs/dbraw/zinc/32/12/84/772321284.db2.gz NPHBTBHHBPMAQL-ZETCQYMHSA-N -1 3 273.235 1.552 10 10 CDCEHM CC(C)O[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCOC1 ZINC000928751016 773063224 /nfs/dbraw/zinc/06/32/24/773063224.db2.gz DJMYSDCSNNKGNN-OAHLLOKOSA-N -1 3 295.335 1.412 10 10 CDCEHM CCN(CC(N)=O)Cc1c([O-])cc(C)cc1Cl ZINC000840941420 773288188 /nfs/dbraw/zinc/28/81/88/773288188.db2.gz AHBFLZZZQFIANW-UHFFFAOYSA-N -1 3 256.733 1.661 10 10 CDCEHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000720476132 773668548 /nfs/dbraw/zinc/66/85/48/773668548.db2.gz PCFVTKUKIFOKCR-SECBINFHSA-N -1 3 251.282 1.349 10 10 CDCEHM COc1c[nH]nc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001644193169 1167299673 /nfs/dbraw/zinc/29/96/73/1167299673.db2.gz ALILHMLNKVBWCU-UHFFFAOYSA-N -1 3 263.253 1.390 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2COC[C@H]2C1 ZINC000690765880 912276413 /nfs/dbraw/zinc/27/64/13/912276413.db2.gz MNMFERMXHWKLPX-NXEZZACHSA-N -1 3 263.293 1.206 10 10 CDCEHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nccn1C ZINC001168613828 919464342 /nfs/dbraw/zinc/46/43/42/919464342.db2.gz QZTPSDNPBGFYET-MRVPVSSYSA-N -1 3 261.281 1.322 10 10 CDCEHM COC(=O)c1ccc([O-])c(CN2C[C@H](C)CC2=O)c1 ZINC000584598589 346496196 /nfs/dbraw/zinc/49/61/96/346496196.db2.gz APLSATZVLYRSNL-SECBINFHSA-N -1 3 263.293 1.547 10 10 CDCEHM NC(=O)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294968751 371111372 /nfs/dbraw/zinc/11/13/72/371111372.db2.gz RHVOAXFTKAJJHP-MRVPVSSYSA-N -1 3 286.734 1.882 10 10 CDCEHM COC(=O)[C@H]1C[C@H](OC)CN1Cc1cc(Cl)ccc1[O-] ZINC000125784415 374965863 /nfs/dbraw/zinc/96/58/63/374965863.db2.gz DQFPGTLDANUNRR-NWDGAFQWSA-N -1 3 299.754 1.808 10 10 CDCEHM CCCCN(CC(N)=O)Cc1cccc(F)c1[O-] ZINC000160210852 264236946 /nfs/dbraw/zinc/23/69/46/264236946.db2.gz YJCDOGFQOHXVQK-UHFFFAOYSA-N -1 3 254.305 1.619 10 10 CDCEHM Cc1cc(Cl)cc(CN2CCN(CCO)CC2)c1[O-] ZINC000271861702 328198345 /nfs/dbraw/zinc/19/83/45/328198345.db2.gz YXXOQDHUGWKPSH-UHFFFAOYSA-N -1 3 284.787 1.464 10 10 CDCEHM COC(=O)CCCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000267627803 522992212 /nfs/dbraw/zinc/99/22/12/522992212.db2.gz WHFVFKNKNNJIEQ-UHFFFAOYSA-N -1 3 295.335 1.869 10 10 CDCEHM C[C@@H]1CCCCN1CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276591407 524112346 /nfs/dbraw/zinc/11/23/46/524112346.db2.gz QDFOVPHBINUUAK-SNVBAGLBSA-N -1 3 296.342 1.841 10 10 CDCEHM COC(=O)[C@@]1(O)CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000895702854 619805445 /nfs/dbraw/zinc/80/54/45/619805445.db2.gz FWTFHRMXPGBSCN-CYBMUJFWSA-N -1 3 285.727 1.155 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cc2ncccn2n1 ZINC001635367003 1166581926 /nfs/dbraw/zinc/58/19/26/1166581926.db2.gz VIAJHVDZBUBEOV-UHFFFAOYSA-N -1 3 286.266 1.504 10 10 CDCEHM CCOC(=O)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000126342476 1175457527 /nfs/dbraw/zinc/45/75/27/1175457527.db2.gz AGQMMBSMNUPHED-SNVBAGLBSA-N -1 3 279.292 1.266 10 10 CDCEHM COC[C@@H]1C[C@@H](O)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000844391801 773833373 /nfs/dbraw/zinc/83/33/73/773833373.db2.gz BYUOPKPIIUYTLJ-QWHCGFSZSA-N -1 3 297.326 1.316 10 10 CDCEHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928709798 774345225 /nfs/dbraw/zinc/34/52/25/774345225.db2.gz LUJVGJPROYLDGL-SECBINFHSA-N -1 3 296.342 1.698 10 10 CDCEHM COC1(CNC(=O)NCc2c([O-])cccc2F)CCC1 ZINC000921859689 774695590 /nfs/dbraw/zinc/69/55/90/774695590.db2.gz ZJWKCKLPXRKXBS-UHFFFAOYSA-N -1 3 282.315 1.900 10 10 CDCEHM COC(=O)[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000922902916 774875689 /nfs/dbraw/zinc/87/56/89/774875689.db2.gz LLGBKSWWAALVRD-DTORHVGOSA-N -1 3 296.298 1.282 10 10 CDCEHM C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452495 774882321 /nfs/dbraw/zinc/88/23/21/774882321.db2.gz QTTZLVCNVWFOPJ-PELKAZGASA-N -1 3 289.328 1.128 10 10 CDCEHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)C(N)=O)c1[O-] ZINC000711161649 775052114 /nfs/dbraw/zinc/05/21/14/775052114.db2.gz YUJGLXKBALGETQ-SSDOTTSWSA-N -1 3 268.288 1.040 10 10 CDCEHM Cc1cnc([C@@H](C)NC(=O)c2cccc(O)c2[O-])o1 ZINC000229417362 776276867 /nfs/dbraw/zinc/27/68/67/776276867.db2.gz QGQOAPVRHMBFSI-MRVPVSSYSA-N -1 3 262.265 1.885 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC(CO)(CO)C1 ZINC000827474745 777621954 /nfs/dbraw/zinc/62/19/54/777621954.db2.gz MDUJFYCWOKJIJW-UHFFFAOYSA-N -1 3 289.734 1.361 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCOC1 ZINC000921620143 778467876 /nfs/dbraw/zinc/46/78/76/778467876.db2.gz SAALEQRIFFNQEP-MRVPVSSYSA-N -1 3 254.261 1.119 10 10 CDCEHM COC(=O)c1occc1CNC(=O)c1cccc(O)c1[O-] ZINC001147799013 932610493 /nfs/dbraw/zinc/61/04/93/932610493.db2.gz BGJWCBUJICQRRC-UHFFFAOYSA-N -1 3 291.259 1.407 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnn2ncccc12 ZINC001471975819 970525733 /nfs/dbraw/zinc/52/57/33/970525733.db2.gz IPXFAINMRAPKLI-UHFFFAOYSA-N -1 3 286.266 1.504 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1[nH]ncc1[N+](=O)[O-] ZINC001471976444 970526612 /nfs/dbraw/zinc/52/66/12/970526612.db2.gz ZEBGFWKNEMZAFD-UHFFFAOYSA-N -1 3 280.215 1.093 10 10 CDCEHM CNC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000160214205 362405351 /nfs/dbraw/zinc/40/53/51/362405351.db2.gz ADGCQFDVHPCJGM-LBPRGKRZSA-N -1 3 266.316 1.632 10 10 CDCEHM CC[C@H](CO)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180214845 357252387 /nfs/dbraw/zinc/25/23/87/357252387.db2.gz YJTDPRVQSMBEAG-CQSZACIVSA-N -1 3 282.359 1.420 10 10 CDCEHM C[C@@H]1CCNC(=O)[C@H]1NCc1cc(Cl)c(F)cc1[O-] ZINC000294726208 199153260 /nfs/dbraw/zinc/15/32/60/199153260.db2.gz PQVAYWZLZJRJBL-KRTXAFLBSA-N -1 3 286.734 1.799 10 10 CDCEHM Cc1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C)c([O-])c1O ZINC000296971906 200050716 /nfs/dbraw/zinc/05/07/16/200050716.db2.gz PZIVKTPBAIHYAL-MWLCHTKSSA-N -1 3 265.309 1.392 10 10 CDCEHM CC(C)NC(=O)CNCc1cc(Cl)c(F)cc1[O-] ZINC000294166932 370974114 /nfs/dbraw/zinc/97/41/14/370974114.db2.gz IXPOBRMMSUXLKR-UHFFFAOYSA-N -1 3 274.723 1.799 10 10 CDCEHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)NCCF ZINC000294767578 371089444 /nfs/dbraw/zinc/08/94/44/371089444.db2.gz SPYGKFVJLZGRSA-ZETCQYMHSA-N -1 3 292.713 1.749 10 10 CDCEHM O=C1NCCCC[C@H]1NCc1cc(Cl)c(F)cc1[O-] ZINC000294244920 378631775 /nfs/dbraw/zinc/63/17/75/378631775.db2.gz MZYOXMZKDGGVMM-LLVKDONJSA-N -1 3 286.734 1.943 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCc2cc[nH]c(=O)c2C1 ZINC000366790651 392061537 /nfs/dbraw/zinc/06/15/37/392061537.db2.gz LDMKQWULLHOSTC-UHFFFAOYSA-N -1 3 286.287 1.397 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000530064233 271093800 /nfs/dbraw/zinc/09/38/00/271093800.db2.gz GIRPPGFMDDGIQE-ZJNREGCTSA-N -1 3 295.360 1.223 10 10 CDCEHM COC(=O)CCCCNC(=O)c1cc([O-])cs1 ZINC000732280272 575086469 /nfs/dbraw/zinc/08/64/69/575086469.db2.gz UYYHKXICVGYFDD-UHFFFAOYSA-N -1 3 257.311 1.527 10 10 CDCEHM [O-]c1c(Br)cccc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895647801 619774596 /nfs/dbraw/zinc/77/45/96/619774596.db2.gz LZOQTXQUMVNEAR-CABZTGNLSA-N -1 3 284.153 1.721 10 10 CDCEHM CC(=O)c1cn(C2CN(Cc3cc(F)ccc3[O-])C2)nn1 ZINC000897939467 621236061 /nfs/dbraw/zinc/23/60/61/621236061.db2.gz XQBNPQOCHYESBP-UHFFFAOYSA-N -1 3 290.298 1.382 10 10 CDCEHM COCC[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000915845252 631836330 /nfs/dbraw/zinc/83/63/30/631836330.db2.gz DIBGLHREHALJQP-SECBINFHSA-N -1 3 270.304 1.756 10 10 CDCEHM CN(Cc1cccc(F)c1[O-])CC(C)(C)S(C)(=O)=O ZINC000713908658 780834700 /nfs/dbraw/zinc/83/47/00/780834700.db2.gz VTLRAOIYEXXWAO-UHFFFAOYSA-N -1 3 289.372 1.786 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CN(C)C(=O)[C@H]2C)c1[O-] ZINC000830778517 781033059 /nfs/dbraw/zinc/03/30/59/781033059.db2.gz SAWQWMNYIVRDDV-MRVPVSSYSA-N -1 3 280.299 1.354 10 10 CDCEHM CCNC(=O)C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000839137941 781426780 /nfs/dbraw/zinc/42/67/80/781426780.db2.gz FTLMJLZYVHQNKG-UHFFFAOYSA-N -1 3 268.744 1.614 10 10 CDCEHM CO[C@H]1CC[C@@H]1N(C)C(=O)c1cccc(O)c1[O-] ZINC000724127250 783488577 /nfs/dbraw/zinc/48/85/77/783488577.db2.gz GUBGIWIRHORDRW-ONGXEEELSA-N -1 3 251.282 1.347 10 10 CDCEHM Cc1c(S(=O)(=O)NCc2c([O-])cccc2F)cnn1C ZINC000921451366 914934964 /nfs/dbraw/zinc/93/49/64/914934964.db2.gz OFTXDNZGHLDORC-UHFFFAOYSA-N -1 3 299.327 1.052 10 10 CDCEHM CCN(CC)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452227 914935971 /nfs/dbraw/zinc/93/59/71/914935971.db2.gz IIWJEUNGCPVUPN-UHFFFAOYSA-N -1 3 276.333 1.208 10 10 CDCEHM O=C(N[C@H](c1ncon1)C1CC1)c1cccc(O)c1[O-] ZINC001178446722 915414525 /nfs/dbraw/zinc/41/45/25/915414525.db2.gz XUVPCLYLSSPONJ-JTQLQIEISA-N -1 3 275.264 1.362 10 10 CDCEHM C[C@H](O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000840979198 936970444 /nfs/dbraw/zinc/97/04/44/936970444.db2.gz ZHIGTUYIYIMFBH-TVQRCGJNSA-N -1 3 271.744 1.627 10 10 CDCEHM CCCC[C@@](C)(CO)NC(=O)c1cccc(O)c1[O-] ZINC000844017459 925978405 /nfs/dbraw/zinc/97/84/05/925978405.db2.gz GKCXPCYZHOWEFO-AWEZNQCLSA-N -1 3 267.325 1.769 10 10 CDCEHM COC(=O)C[C@@H](C)CC(=O)NCc1c([O-])cccc1F ZINC000928705627 933173362 /nfs/dbraw/zinc/17/33/62/933173362.db2.gz KIDDJRSNBMSKOS-VIFPVBQESA-N -1 3 283.299 1.737 10 10 CDCEHM CCOC(=O)C1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928706157 933173380 /nfs/dbraw/zinc/17/33/80/933173380.db2.gz SHFWFYSYSFHCPK-UHFFFAOYSA-N -1 3 281.283 1.491 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H](CCCO)C1 ZINC001468973516 970210356 /nfs/dbraw/zinc/21/03/56/970210356.db2.gz UFBHOLZOJOMOBI-JTQLQIEISA-N -1 3 265.309 1.332 10 10 CDCEHM Cc1cnn(C)c1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001470048002 970284645 /nfs/dbraw/zinc/28/46/45/970284645.db2.gz KOMLHEWKRQSYRB-UHFFFAOYSA-N -1 3 261.281 1.700 10 10 CDCEHM CNC(=O)[C@@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000179945512 357232564 /nfs/dbraw/zinc/23/25/64/357232564.db2.gz ZEOGAUCOSANNTG-NSHDSACASA-N -1 3 252.289 1.242 10 10 CDCEHM CN(Cc1cc(Cl)c(F)cc1[O-])CC(C)(CO)CO ZINC000295370358 378671661 /nfs/dbraw/zinc/67/16/61/378671661.db2.gz OIOXJSHLRUFLJT-UHFFFAOYSA-N -1 3 291.750 1.607 10 10 CDCEHM O=C(NCc1ccc(O)cc1)c1ccc([O-])c(O)c1 ZINC000040564172 174336288 /nfs/dbraw/zinc/33/62/88/174336288.db2.gz BTCRDGWFHJLJHS-UHFFFAOYSA-N -1 3 259.261 1.733 10 10 CDCEHM CCOC(=O)CC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000279756225 520714186 /nfs/dbraw/zinc/71/41/86/520714186.db2.gz DDUDRJCGGCQSEB-VIFPVBQESA-N -1 3 281.308 1.559 10 10 CDCEHM CCOC(=O)[C@@H](C)NCc1ccc(OC)cc1[O-] ZINC000049370656 521024110 /nfs/dbraw/zinc/02/41/10/521024110.db2.gz XFKOXDCPNLCLIN-SECBINFHSA-N -1 3 253.298 1.442 10 10 CDCEHM O=C(N[C@@H]1CCCN(CCF)C1)c1cccc(O)c1[O-] ZINC000898500509 621775313 /nfs/dbraw/zinc/77/53/13/621775313.db2.gz XZONWRYXLJDDPF-SNVBAGLBSA-N -1 3 282.315 1.262 10 10 CDCEHM O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1cccc(O)c1[O-] ZINC000792670486 1162357272 /nfs/dbraw/zinc/35/72/72/1162357272.db2.gz BPONQPOWTKJLHG-LLVKDONJSA-N -1 3 289.291 1.925 10 10 CDCEHM O=C(N[C@@H](CO)c1ccsc1)c1cccc(O)c1[O-] ZINC000807262852 1162745927 /nfs/dbraw/zinc/74/59/27/1162745927.db2.gz XCMOSKLHFLNMFX-JTQLQIEISA-N -1 3 279.317 1.623 10 10 CDCEHM O=Cc1ccc(C(=O)NCc2c([O-])cccc2F)[nH]1 ZINC001645048315 1167361758 /nfs/dbraw/zinc/36/17/58/1167361758.db2.gz PNBXLBIWADWHIM-UHFFFAOYSA-N -1 3 262.240 1.602 10 10 CDCEHM C[C@@H](C(=O)NCc1c([O-])cccc1F)n1cccn1 ZINC001646029369 1167616611 /nfs/dbraw/zinc/61/66/11/1167616611.db2.gz WQNOPKBJTAZVJM-VIFPVBQESA-N -1 3 263.272 1.605 10 10 CDCEHM COC(=O)CC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC001565886939 1168194827 /nfs/dbraw/zinc/19/48/27/1168194827.db2.gz WIQBHOCWWHWTLZ-UHFFFAOYSA-N -1 3 267.281 1.169 10 10 CDCEHM CC[C@H](C)C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000843940763 1164243084 /nfs/dbraw/zinc/24/30/84/1164243084.db2.gz WCSWSLWYYXXWPJ-ONGXEEELSA-N -1 3 295.335 1.805 10 10 CDCEHM CC1(C)COC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000313062099 900333261 /nfs/dbraw/zinc/33/32/61/900333261.db2.gz JFTNSIXORZKIRZ-JTQLQIEISA-N -1 3 251.282 1.253 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC[C@@H]1CCO ZINC000922100881 921272778 /nfs/dbraw/zinc/27/27/78/921272778.db2.gz QITSFWYBRXUIMH-ZWNOBZJWSA-N -1 3 296.342 1.882 10 10 CDCEHM CCn1cncc1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452580 914934067 /nfs/dbraw/zinc/93/40/67/914934067.db2.gz SMWGKJPBJLBHRK-UHFFFAOYSA-N -1 3 299.327 1.226 10 10 CDCEHM CN(C)c1ncccc1CNC(=O)c1cccc(O)c1[O-] ZINC000186930958 922066490 /nfs/dbraw/zinc/06/64/90/922066490.db2.gz ADNAEVUYEANQOY-UHFFFAOYSA-N -1 3 287.319 1.489 10 10 CDCEHM O=C(NC[C@@H]1CCC2(CCC2)O1)c1cccc(O)c1[O-] ZINC000711415103 923570147 /nfs/dbraw/zinc/57/01/47/923570147.db2.gz OAPPLRDRSBNKFQ-JTQLQIEISA-N -1 3 277.320 1.929 10 10 CDCEHM Cc1nn(C)c(C)c1NC(=O)c1cccc(O)c1[O-] ZINC000776612831 927825780 /nfs/dbraw/zinc/82/57/80/927825780.db2.gz CXVQAPNKSJEPEK-UHFFFAOYSA-N -1 3 261.281 1.700 10 10 CDCEHM O=C1NCC2(CN(Cc3ccc4ccccc4c3[O-])C2)O1 ZINC000817418476 930532408 /nfs/dbraw/zinc/53/24/08/930532408.db2.gz SAZOBKXLJUXOEC-UHFFFAOYSA-N -1 3 284.315 1.840 10 10 CDCEHM CCNC(=O)CCC(=O)NCc1c([O-])cccc1F ZINC000928712735 933174407 /nfs/dbraw/zinc/17/44/07/933174407.db2.gz YGZZGNOSSYIABM-UHFFFAOYSA-N -1 3 268.288 1.064 10 10 CDCEHM C[C@H](Cc1c[nH]cn1)C(=O)NCc1c([O-])cccc1F ZINC000928706813 933174479 /nfs/dbraw/zinc/17/44/79/933174479.db2.gz VMMMZGDGZYBNCY-SECBINFHSA-N -1 3 277.299 1.749 10 10 CDCEHM O=C(NCc1cn(C2CCC2)nn1)c1cccc(O)c1[O-] ZINC001164175138 939426519 /nfs/dbraw/zinc/42/65/19/939426519.db2.gz BFMUNCVYVWIOAK-UHFFFAOYSA-N -1 3 288.307 1.344 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)[N-]OC/C=C\Cl ZINC001298870091 955253563 /nfs/dbraw/zinc/25/35/63/955253563.db2.gz SUUBFFGFKLFMLE-RJRFIUFISA-N -1 3 257.673 1.441 10 10 CDCEHM COc1cc(C=C2SC(N)=NC2=O)cc(F)c1[O-] ZINC000144521011 342450748 /nfs/dbraw/zinc/45/07/48/342450748.db2.gz UMTIOEKRFNDBES-YWEYNIOJSA-N -1 3 268.269 1.469 10 10 CDCEHM O=C(NC1(CCO)CCCC1)c1cccc(O)c1[O-] ZINC000286238930 368741675 /nfs/dbraw/zinc/74/16/75/368741675.db2.gz YICJDSQOCOMAJJ-UHFFFAOYSA-N -1 3 265.309 1.523 10 10 CDCEHM Cc1ncoc1CNC(=O)NCc1c([O-])cccc1F ZINC001685578229 1174680204 /nfs/dbraw/zinc/68/02/04/1174680204.db2.gz MAJUKTQXSRICDM-UHFFFAOYSA-N -1 3 279.271 1.827 10 10 CDCEHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCOC1 ZINC000899656762 622348656 /nfs/dbraw/zinc/34/86/56/622348656.db2.gz WOQFAYIITFPDRE-ZYHUDNBSSA-N -1 3 295.335 1.269 10 10 CDCEHM CCOCCNC(=S)NCc1c([O-])cccc1F ZINC000905659728 626904835 /nfs/dbraw/zinc/90/48/35/626904835.db2.gz BATSTAPJEDWSBN-UHFFFAOYSA-N -1 3 272.345 1.532 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)[N-]OCCC1CC1 ZINC001628449801 1166075623 /nfs/dbraw/zinc/07/56/23/1166075623.db2.gz ZDDUBBKJAQXANX-UHFFFAOYSA-N -1 3 251.282 1.488 10 10 CDCEHM Cc1ccc(NCCNC(=O)c2cccc(O)c2[O-])nc1 ZINC001639044270 1166893632 /nfs/dbraw/zinc/89/36/32/1166893632.db2.gz YZOQPXLSYCTMSL-UHFFFAOYSA-N -1 3 287.319 1.643 10 10 CDCEHM O=C(NCc1ccc(CCO)cc1)c1cccc(O)c1[O-] ZINC001653430767 1171542728 /nfs/dbraw/zinc/54/27/28/1171542728.db2.gz GSTXONNFEFDCJH-UHFFFAOYSA-N -1 3 287.315 1.563 10 10 CDCEHM CC(C)n1ncc(C(=O)NCc2c([O-])cccc2F)c1N ZINC000928707684 785002638 /nfs/dbraw/zinc/00/26/38/785002638.db2.gz GOHNZBBFFAMOBR-UHFFFAOYSA-N -1 3 292.314 1.821 10 10 CDCEHM CC(C)(C)C(=O)NCCC(=O)NCc1c([O-])cccc1F ZINC000928710910 786874680 /nfs/dbraw/zinc/87/46/80/786874680.db2.gz XPMRETRYRHDHQK-UHFFFAOYSA-N -1 3 296.342 1.700 10 10 CDCEHM O=C(CCOC1CCOCC1)NCc1c([O-])cccc1F ZINC000928706192 787837872 /nfs/dbraw/zinc/83/78/72/787837872.db2.gz SOZULPMOTZWSJA-UHFFFAOYSA-N -1 3 297.326 1.733 10 10 CDCEHM Cc1nn(C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182494867 787851119 /nfs/dbraw/zinc/85/11/19/787851119.db2.gz DHWOUKGNWUWWEV-UHFFFAOYSA-N -1 3 261.281 1.700 10 10 CDCEHM C[C@H]1C(=O)N(C)CN1Cc1c([O-])cccc1Br ZINC000862400078 789353271 /nfs/dbraw/zinc/35/32/71/789353271.db2.gz LZMSOBBVGTWQNG-QMMMGPOBSA-N -1 3 299.168 1.775 10 10 CDCEHM O=S(=O)(CCCF)NCc1c([O-])cccc1F ZINC000921452296 789847056 /nfs/dbraw/zinc/84/70/56/789847056.db2.gz KTWZSROAIVFZIL-UHFFFAOYSA-N -1 3 265.281 1.310 10 10 CDCEHM CC1(C)OCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000693135553 895167826 /nfs/dbraw/zinc/16/78/26/895167826.db2.gz SGYWNXXFROEQDZ-SECBINFHSA-N -1 3 265.309 1.643 10 10 CDCEHM Cc1ccc(C(=O)Nc2cnc3ccnn3c2)c([O-])c1O ZINC001180610125 916511124 /nfs/dbraw/zinc/51/11/24/916511124.db2.gz LZIWQQHQNWQHQJ-UHFFFAOYSA-N -1 3 284.275 1.701 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCO[C@@H]([C@H](C)O)C2)c1[O-] ZINC000839672282 936919079 /nfs/dbraw/zinc/91/90/79/936919079.db2.gz PWXFYVUZPYJCHN-IINYFYTJSA-N -1 3 297.326 1.316 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2[C@H](CO)CC[C@H]2CO)c1[O-] ZINC001195588726 924659102 /nfs/dbraw/zinc/65/91/02/924659102.db2.gz GIDJNIHBCAEJIP-STQMWFEESA-N -1 3 297.326 1.052 10 10 CDCEHM Cc1ccc(C(=O)Nc2nnc(C3CC3)n2C)c([O-])c1O ZINC000855252048 928379517 /nfs/dbraw/zinc/37/95/17/928379517.db2.gz VVWWPYHYODVIMU-UHFFFAOYSA-N -1 3 288.307 1.664 10 10 CDCEHM C[C@@H](OC[C@H]1CCCO1)C(=O)NCc1c([O-])cccc1F ZINC000928711120 933174277 /nfs/dbraw/zinc/17/42/77/933174277.db2.gz DULMXQOEUBVYJV-GHMZBOCLSA-N -1 3 297.326 1.732 10 10 CDCEHM C[C@]1(CCCO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC001466148557 969927816 /nfs/dbraw/zinc/92/78/16/969927816.db2.gz KKANAHVLYWZPGH-OAHLLOKOSA-N -1 3 279.336 1.865 10 10 CDCEHM CC(=O)c1cc(F)cc(CN(C)CCCCO)c1[O-] ZINC000276349446 357152884 /nfs/dbraw/zinc/15/28/84/357152884.db2.gz ILRHZESYZGFBMC-UHFFFAOYSA-N -1 3 269.316 1.938 10 10 CDCEHM C[C@H]1[C@@H](O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000295995415 357592055 /nfs/dbraw/zinc/59/20/55/357592055.db2.gz JNWLSRPYNOCPLJ-WPRPVWTQSA-N -1 3 251.282 1.083 10 10 CDCEHM [N-]=[N+]=C1C(=O)C[C@@H](S(=O)(=O)[O-])c2ccccc21 ZINC000575346337 364042202 /nfs/dbraw/zinc/04/22/02/364042202.db2.gz XZHKQCIXSLIOAC-SECBINFHSA-O -1 3 253.259 1.099 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@@]2(CCCOC2)C1 ZINC000285970499 368679408 /nfs/dbraw/zinc/67/94/08/368679408.db2.gz ORJYHRLZNJIYIS-HNNXBMFYSA-N -1 3 293.319 1.119 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000126494001 260353230 /nfs/dbraw/zinc/35/32/30/260353230.db2.gz QUQPGUFRMJZMRY-ZBEGNZNMSA-N -1 3 291.347 1.865 10 10 CDCEHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc([O-])cs3)[C@@H]2C1 ZINC000755305694 576939503 /nfs/dbraw/zinc/93/95/03/576939503.db2.gz AMWVVRQAVRPEED-UTUOFQBUSA-N -1 3 297.376 1.862 10 10 CDCEHM Cc1cc([O-])c(CN2CCN3C(=O)NC[C@@H]3C2)c(Cl)c1 ZINC000840922499 617835502 /nfs/dbraw/zinc/83/55/02/617835502.db2.gz LBHSMKBWZDUQMX-SNVBAGLBSA-N -1 3 295.770 1.563 10 10 CDCEHM CC1(C(=O)NCc2c([O-])cccc2F)CCOCC1 ZINC000928711173 620506509 /nfs/dbraw/zinc/50/65/09/620506509.db2.gz GEXRXWAYGDMXHA-UHFFFAOYSA-N -1 3 267.300 1.964 10 10 CDCEHM C[C@@H](Cn1ccnc1)NC(=O)NCc1c([O-])cccc1F ZINC000905150198 626660976 /nfs/dbraw/zinc/66/09/76/626660976.db2.gz ZIALTMITHSFQML-JTQLQIEISA-N -1 3 292.314 1.616 10 10 CDCEHM COc1cc[n-]c(=NNC(=S)Nc2ccc(F)cc2)n1 ZINC000914704453 631549292 /nfs/dbraw/zinc/54/92/92/631549292.db2.gz LZDXHNPLWDSYJO-UHFFFAOYSA-N -1 3 293.327 1.938 10 10 CDCEHM Cc1ccc(O)c(CN=c2ncnc3[nH][n-]cc2-3)c1 ZINC001642954619 1167214746 /nfs/dbraw/zinc/21/47/46/1167214746.db2.gz GJEZQVXLYFSURP-UHFFFAOYSA-N -1 3 255.281 1.353 10 10 CDCEHM Cc1cc([O-])c(CN2CCn3nncc3C2)c(Cl)c1 ZINC000848922478 791266505 /nfs/dbraw/zinc/26/65/05/791266505.db2.gz UBZCAEHIYLAAHW-UHFFFAOYSA-N -1 3 278.743 1.961 10 10 CDCEHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1F ZINC000790921294 793815289 /nfs/dbraw/zinc/81/52/89/793815289.db2.gz FFQNXWRTESKXBL-WCBMZHEXSA-N -1 3 253.273 1.918 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1(N2CCOCC2)CC1 ZINC000928706841 795303727 /nfs/dbraw/zinc/30/37/27/795303727.db2.gz WLVMRYPHTGPLSR-UHFFFAOYSA-N -1 3 294.326 1.012 10 10 CDCEHM O=C(N[C@H](CCO)C1CCCC1)c1cccc(O)c1[O-] ZINC000725059450 796235059 /nfs/dbraw/zinc/23/50/59/796235059.db2.gz NUILXFXAPMPQNI-GFCCVEGCSA-N -1 3 279.336 1.769 10 10 CDCEHM CCC[C@H](C)[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000846361396 796325446 /nfs/dbraw/zinc/32/54/46/796325446.db2.gz QIZWYUCBUIEFSA-GXSJLCMTSA-N -1 3 267.325 1.625 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN1CCN(CCO)CC1 ZINC000294869101 199223387 /nfs/dbraw/zinc/22/33/87/199223387.db2.gz KANPCCZSOAOKOH-UHFFFAOYSA-N -1 3 288.750 1.295 10 10 CDCEHM Cc1ccc(C(=O)N[C@@]23C[C@@H]2COC3(C)C)c([O-])c1O ZINC000529796769 368094074 /nfs/dbraw/zinc/09/40/74/368094074.db2.gz XYYZLFCLWILKTI-PSLIRLAXSA-N -1 3 277.320 1.704 10 10 CDCEHM CN(C[C@H]1CCCO1)C(=O)c1cccc(O)c1[O-] ZINC000126285765 390920618 /nfs/dbraw/zinc/92/06/18/390920618.db2.gz IQZSPAFZXOFRHH-SECBINFHSA-N -1 3 251.282 1.349 10 10 CDCEHM O=C(NC1(CO)Cc2ccccc2C1)c1cccc(O)c1[O-] ZINC000372432035 391852488 /nfs/dbraw/zinc/85/24/88/391852488.db2.gz QWHGAJYZCJDHGY-UHFFFAOYSA-N -1 3 299.326 1.358 10 10 CDCEHM COC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126503627 260352496 /nfs/dbraw/zinc/35/24/96/260352496.db2.gz AMQGMOXYYWORCD-SECBINFHSA-N -1 3 279.292 1.123 10 10 CDCEHM COc1cccc([O-])c1CN(C)CC(=O)NC(C)(C)C ZINC000768200872 576264609 /nfs/dbraw/zinc/26/46/09/576264609.db2.gz QEXVUACDWPQKHN-UHFFFAOYSA-N -1 3 280.368 1.747 10 10 CDCEHM COc1cccc([O-])c1CN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000769468105 576356599 /nfs/dbraw/zinc/35/65/99/576356599.db2.gz AGEPGEQCKJXENK-LLVKDONJSA-N -1 3 299.392 1.267 10 10 CDCEHM [O-]c1ccc(F)cc1CN1CCCn2nncc2C1 ZINC000895756609 619829267 /nfs/dbraw/zinc/82/92/67/619829267.db2.gz YRVLRXIXHRJDDO-UHFFFAOYSA-N -1 3 262.288 1.529 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCn2cncc2C1 ZINC000928707144 620505167 /nfs/dbraw/zinc/50/51/67/620505167.db2.gz BAXSHZFNTKGRPR-SNVBAGLBSA-N -1 3 289.310 1.607 10 10 CDCEHM COCC1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928707126 620505373 /nfs/dbraw/zinc/50/53/73/620505373.db2.gz ANZNZYBEWCCNQX-UHFFFAOYSA-N -1 3 253.273 1.574 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1nc(C2CC2)no1 ZINC000902944775 625630076 /nfs/dbraw/zinc/63/00/76/625630076.db2.gz MIXMHCHGLHNAJX-UHFFFAOYSA-N -1 3 277.255 1.722 10 10 CDCEHM C[C@H]1C[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000914217755 631265057 /nfs/dbraw/zinc/26/50/57/631265057.db2.gz MTFARANXVMGKRH-IUCAKERBSA-N -1 3 252.289 1.987 10 10 CDCEHM CC(=O)Nc1ncccc1NC(=O)c1cccc(O)c1[O-] ZINC001623739657 1165788588 /nfs/dbraw/zinc/78/85/88/1165788588.db2.gz WVOJZKVXQSPQBF-UHFFFAOYSA-N -1 3 287.275 1.704 10 10 CDCEHM Cc1ccc(C(=O)Nc2ncc(CCO)s2)c([O-])c1O ZINC001637041968 1166719816 /nfs/dbraw/zinc/71/98/16/1166719816.db2.gz SVASGSBJGUQSBH-UHFFFAOYSA-N -1 3 294.332 1.650 10 10 CDCEHM CC(C)(NC(=O)c1cccc(O)c1[O-])c1ncon1 ZINC001639444003 1166939034 /nfs/dbraw/zinc/93/90/34/1166939034.db2.gz RTCJFSZCHNTWNJ-UHFFFAOYSA-N -1 3 263.253 1.146 10 10 CDCEHM O=C(NC1(c2ccccc2)COC1)c1cccc(O)c1[O-] ZINC001652880132 1171487388 /nfs/dbraw/zinc/48/73/88/1171487388.db2.gz UTNXQZOJYROZMF-UHFFFAOYSA-N -1 3 285.299 1.753 10 10 CDCEHM O=C(CCCn1cncn1)NCc1c([O-])cccc1F ZINC000928705821 796498488 /nfs/dbraw/zinc/49/84/88/796498488.db2.gz NUDIPQLHTXZYGG-UHFFFAOYSA-N -1 3 278.287 1.219 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)[C@H]1O ZINC000829282358 798064777 /nfs/dbraw/zinc/06/47/77/798064777.db2.gz YCMYRCBXMYRUKX-GDGBQDQQSA-N -1 3 265.309 1.187 10 10 CDCEHM COc1cnccc1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000189658343 899942303 /nfs/dbraw/zinc/94/23/03/899942303.db2.gz LTKYGYQQMHNWGA-SECBINFHSA-N -1 3 288.303 1.992 10 10 CDCEHM CC[C@H](C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452599 914934637 /nfs/dbraw/zinc/93/46/37/914934637.db2.gz TXAYVRMEMNIFPR-VIFPVBQESA-N -1 3 275.345 1.997 10 10 CDCEHM CNC(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001141302616 936842971 /nfs/dbraw/zinc/84/29/71/936842971.db2.gz LQNOADQBHXMXBW-UHFFFAOYSA-N -1 3 286.287 1.710 10 10 CDCEHM CC1=NO[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000923529238 923910762 /nfs/dbraw/zinc/91/07/62/923910762.db2.gz ZZTISZYMLYHSCY-SECBINFHSA-N -1 3 281.287 1.495 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@](O)(CO)C1 ZINC000839153669 936906757 /nfs/dbraw/zinc/90/67/57/936906757.db2.gz APETUMAGPDWKHN-CYBMUJFWSA-N -1 3 289.734 1.504 10 10 CDCEHM O=C(N[C@H]1CO[C@H](C2CC2)C1)c1cccc(O)c1[O-] ZINC000691425820 928415288 /nfs/dbraw/zinc/41/52/88/928415288.db2.gz FNFOPPYKEYWYAS-SKDRFNHKSA-N -1 3 263.293 1.395 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCc2nn[nH]c21 ZINC000928706248 933173397 /nfs/dbraw/zinc/17/33/97/933173397.db2.gz PSIKPFMRHROAFO-MRVPVSSYSA-N -1 3 290.298 1.386 10 10 CDCEHM C[C@H](OC[C@H]1CCCO1)C(=O)NCc1c([O-])cccc1F ZINC000928711129 933174072 /nfs/dbraw/zinc/17/40/72/933174072.db2.gz DULMXQOEUBVYJV-WDEREUQCSA-N -1 3 297.326 1.732 10 10 CDCEHM COC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000092013480 934880286 /nfs/dbraw/zinc/88/02/86/934880286.db2.gz IVKBBQOQABLQMZ-RNCFNFMXSA-N -1 3 299.754 1.808 10 10 CDCEHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000720476136 935148196 /nfs/dbraw/zinc/14/81/96/935148196.db2.gz PCFVTKUKIFOKCR-VIFPVBQESA-N -1 3 251.282 1.349 10 10 CDCEHM CO[C@H]1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC001332784783 957836110 /nfs/dbraw/zinc/83/61/10/957836110.db2.gz XGPOIWZRVYDXLP-ZJUUUORDSA-N -1 3 282.315 1.898 10 10 CDCEHM O=C(Nc1ccc2c(c1)NC(=O)C2)c1cccc(O)c1[O-] ZINC001455589221 968747797 /nfs/dbraw/zinc/74/77/97/968747797.db2.gz JQRLWBCTIIJRAR-UHFFFAOYSA-N -1 3 284.271 1.845 10 10 CDCEHM O=C(NCc1cccc(Cl)c1[O-])c1cnncc1O ZINC001653567400 1171552176 /nfs/dbraw/zinc/55/21/76/1171552176.db2.gz XVVNEVTZBUELDD-UHFFFAOYSA-N -1 3 279.683 1.471 10 10 CDCEHM C[C@@H]1[C@@H](O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000295993862 357591850 /nfs/dbraw/zinc/59/18/50/357591850.db2.gz JNWLSRPYNOCPLJ-SCZZXKLOSA-N -1 3 251.282 1.083 10 10 CDCEHM C[C@H](NC[C@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273429306 299314692 /nfs/dbraw/zinc/31/46/92/299314692.db2.gz VFLKYYKEMUQFQO-WKEGUHRASA-N -1 3 294.229 1.874 10 10 CDCEHM CC[C@H](C)[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000387239327 1161324459 /nfs/dbraw/zinc/32/44/59/1161324459.db2.gz OKRJJIOAQUTXII-KWQFWETISA-N -1 3 281.308 1.415 10 10 CDCEHM CN(C(=O)c1cc([O-])cs1)[C@H]1CCN(C2CC2)C1 ZINC000762562916 576654682 /nfs/dbraw/zinc/65/46/82/576654682.db2.gz QAYRXTSZVVYOGB-JTQLQIEISA-N -1 3 266.366 1.762 10 10 CDCEHM Cc1ncoc1C(=O)NCc1c([O-])cccc1F ZINC001635360516 1166580872 /nfs/dbraw/zinc/58/08/72/1166580872.db2.gz NYTTZDGZTMLKGA-UHFFFAOYSA-N -1 3 250.229 1.758 10 10 CDCEHM O=C(Nc1ccc(OCCO)cc1)c1cccc(O)c1[O-] ZINC001635941786 1166635080 /nfs/dbraw/zinc/63/50/80/1166635080.db2.gz WGGARPRCUDIKMK-UHFFFAOYSA-N -1 3 289.287 1.721 10 10 CDCEHM C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000703541756 805093965 /nfs/dbraw/zinc/09/39/65/805093965.db2.gz PHMQTIOODSHXNY-DCXZOGHSSA-N -1 3 277.336 1.869 10 10 CDCEHM NC(=O)C[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000862535731 813801725 /nfs/dbraw/zinc/80/17/25/813801725.db2.gz XKDIZYGGYOGZNR-VIFPVBQESA-N -1 3 284.743 1.122 10 10 CDCEHM C[C@H](CC(=O)NCc1c([O-])cccc1F)n1cccn1 ZINC000928705977 813832153 /nfs/dbraw/zinc/83/21/53/813832153.db2.gz NAMZHYHTJIANFC-SNVBAGLBSA-N -1 3 277.299 1.995 10 10 CDCEHM CSCCONC(=O)NCc1c([O-])cccc1F ZINC000922287975 814186560 /nfs/dbraw/zinc/18/65/60/814186560.db2.gz CMROWAOWBGLKKV-UHFFFAOYSA-N -1 3 274.317 1.625 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)OC[C@@H]1CCCO1 ZINC000921452724 814623298 /nfs/dbraw/zinc/62/32/98/814623298.db2.gz XMWVLRBENSYIMZ-VIFPVBQESA-N -1 3 269.272 1.937 10 10 CDCEHM O=C(NCCO[C@@H]1CC1(F)F)c1cccc(O)c1[O-] ZINC000709237172 816851429 /nfs/dbraw/zinc/85/14/29/816851429.db2.gz PKGIOEXBNYBHBP-SECBINFHSA-N -1 3 273.235 1.252 10 10 CDCEHM CO[C@@H]1CC[C@H]1N(C)C(=O)c1cccc(O)c1[O-] ZINC000724127249 817625280 /nfs/dbraw/zinc/62/52/80/817625280.db2.gz GUBGIWIRHORDRW-MWLCHTKSSA-N -1 3 251.282 1.347 10 10 CDCEHM CC(C)(O)CCNC(=O)NCc1c([O-])cccc1F ZINC000922059167 921262018 /nfs/dbraw/zinc/26/20/18/921262018.db2.gz JBCBHQKEPMGRIA-UHFFFAOYSA-N -1 3 270.304 1.492 10 10 CDCEHM Cn1ncc(CNCc2c([O-])cccc2Cl)n1 ZINC000389843083 936648829 /nfs/dbraw/zinc/64/88/29/936648829.db2.gz ZHCDZBADZSPGQH-UHFFFAOYSA-N -1 3 252.705 1.464 10 10 CDCEHM CC[C@@H](NC(C)=O)C(=O)NCc1c([O-])cccc1F ZINC000928710211 933174400 /nfs/dbraw/zinc/17/44/00/933174400.db2.gz PXROANLXZIQTMN-LLVKDONJSA-N -1 3 268.288 1.062 10 10 CDCEHM O=C(NC1CC2(CSC2)C1)c1cccc(O)c1[O-] ZINC000717919620 934749705 /nfs/dbraw/zinc/74/97/05/934749705.db2.gz IPMAKLDEJGSVKK-UHFFFAOYSA-N -1 3 265.334 1.723 10 10 CDCEHM O=C(Nc1cncnc1-n1cccn1)c1cccc(O)c1[O-] ZINC001163774952 939327995 /nfs/dbraw/zinc/32/79/95/939327995.db2.gz GFWRGLVEECRQGB-UHFFFAOYSA-N -1 3 297.274 1.326 10 10 CDCEHM COC(=O)[C@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC001556148335 965000873 /nfs/dbraw/zinc/00/08/73/965000873.db2.gz CJMJVNLBEQJBKI-LLVKDONJSA-N -1 3 293.319 1.656 10 10 CDCEHM Cc1cc(Cl)cc(CN2CCCN(C(N)=O)CC2)c1[O-] ZINC000179944458 357232686 /nfs/dbraw/zinc/23/26/86/357232686.db2.gz VNVNTSNOAJHLDN-UHFFFAOYSA-N -1 3 297.786 1.940 10 10 CDCEHM COC1CCN(Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000069581349 277194675 /nfs/dbraw/zinc/19/46/75/277194675.db2.gz AAXLNSKAYFASBL-UHFFFAOYSA-N -1 3 266.297 1.911 10 10 CDCEHM Cc1ccc(C(=O)N[C@H](CO)c2ccsc2)c([O-])c1O ZINC000771536179 575587988 /nfs/dbraw/zinc/58/79/88/575587988.db2.gz MUVIIEDPPNGXJD-LLVKDONJSA-N -1 3 293.344 1.931 10 10 CDCEHM CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cc([O-])cs1 ZINC000765402942 576016628 /nfs/dbraw/zinc/01/66/28/576016628.db2.gz HLFPQLLKVMFVNY-UHFFFAOYSA-N -1 3 291.394 1.349 10 10 CDCEHM COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(F)ccc1[O-] ZINC000895866578 619881084 /nfs/dbraw/zinc/88/10/84/619881084.db2.gz XXEPYELHOHFIJW-OLZOCXBDSA-N -1 3 297.326 1.732 10 10 CDCEHM CCC(=O)N1CC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705830 620504808 /nfs/dbraw/zinc/50/48/08/620504808.db2.gz NYNWNINFFAKUAP-JTQLQIEISA-N -1 3 294.326 1.406 10 10 CDCEHM C[C@H](OCC1CC1)C(=O)NCc1c([O-])cccc1F ZINC000928710280 620506550 /nfs/dbraw/zinc/50/65/50/620506550.db2.gz AAGVZNVEXSXFKG-VIFPVBQESA-N -1 3 267.300 1.963 10 10 CDCEHM O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1cccc(O)c1[O-] ZINC001645381596 1167399721 /nfs/dbraw/zinc/39/97/21/1167399721.db2.gz SHTDDFXAFJACTR-HIFRSBDPSA-N -1 3 299.326 1.876 10 10 CDCEHM CO[C@H]1CC[C@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000687210098 1166795317 /nfs/dbraw/zinc/79/53/17/1166795317.db2.gz XZUDQJCFQXORFV-UWVGGRQHSA-N -1 3 265.309 1.737 10 10 CDCEHM Cc1cc([O-])c(CN2CCN(CCO)CC2)c(Cl)c1 ZINC000840908642 818011403 /nfs/dbraw/zinc/01/14/03/818011403.db2.gz VGERHNUWCMIDFO-UHFFFAOYSA-N -1 3 284.787 1.464 10 10 CDCEHM [O-]c1c(F)cc(Cl)cc1CN1CCC(CO)(CO)C1 ZINC000827474718 818414739 /nfs/dbraw/zinc/41/47/39/818414739.db2.gz KTZFRUXBIXBRGJ-UHFFFAOYSA-N -1 3 289.734 1.361 10 10 CDCEHM C[C@@H](N[C@@H](CO)c1ccnn1C)c1ccc(F)cc1[O-] ZINC000858434425 818435716 /nfs/dbraw/zinc/43/57/16/818435716.db2.gz GNVXEVLOKGAPTK-SKDRFNHKSA-N -1 3 279.315 1.649 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@](O)(C2CC2)C1 ZINC000855693996 818520961 /nfs/dbraw/zinc/52/09/61/818520961.db2.gz FFQYCZWYTCPMKJ-OAHLLOKOSA-N -1 3 277.320 1.475 10 10 CDCEHM CO[C@]1(CNC(=O)c2cccc(O)c2[O-])CCSC1 ZINC000719276370 819005798 /nfs/dbraw/zinc/00/57/98/819005798.db2.gz PRBJECYHRKAHIN-ZDUSSCGKSA-N -1 3 283.349 1.350 10 10 CDCEHM COC(=O)N[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000228353984 820650634 /nfs/dbraw/zinc/65/06/34/820650634.db2.gz XPANPCSWLZSRLI-JTQLQIEISA-N -1 3 284.743 1.976 10 10 CDCEHM CC(=O)C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000808499763 820822280 /nfs/dbraw/zinc/82/22/80/820822280.db2.gz MCIJMOBDOSQMJO-UHFFFAOYSA-N -1 3 264.064 1.636 10 10 CDCEHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC000855292799 821436359 /nfs/dbraw/zinc/43/63/59/821436359.db2.gz VZDMHXPZLTZWCO-GFCCVEGCSA-N -1 3 295.335 1.269 10 10 CDCEHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000694840376 898722483 /nfs/dbraw/zinc/72/24/83/898722483.db2.gz PGFIIMQERAERKE-ZJUUUORDSA-N -1 3 265.309 1.737 10 10 CDCEHM COC(=O)CC1CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000927933221 933102045 /nfs/dbraw/zinc/10/20/45/933102045.db2.gz DDLLDOKUTNSTQQ-UHFFFAOYSA-N -1 3 279.292 1.169 10 10 CDCEHM C[C@@H](O)c1ncc(C(=O)NCc2c([O-])cccc2F)s1 ZINC001652298690 1171421304 /nfs/dbraw/zinc/42/13/04/1171421304.db2.gz NGJJOYRSPAQLCC-SSDOTTSWSA-N -1 3 296.323 1.971 10 10 CDCEHM C[C@H]1CN(Cc2cc(F)ccc2[O-])CCS1(=O)=O ZINC000180172199 357249594 /nfs/dbraw/zinc/24/95/94/357249594.db2.gz YCKUNHCFPYBMAI-VIFPVBQESA-N -1 3 273.329 1.150 10 10 CDCEHM COC(=O)[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272829372 365413921 /nfs/dbraw/zinc/41/39/21/365413921.db2.gz PSNFTANMNCECMU-JTQLQIEISA-N -1 3 293.319 1.431 10 10 CDCEHM Cc1ccc(C(=O)N[C@]23C[C@H]2COC3(C)C)c([O-])c1O ZINC000529796768 368094093 /nfs/dbraw/zinc/09/40/93/368094093.db2.gz XYYZLFCLWILKTI-BJOHPYRUSA-N -1 3 277.320 1.704 10 10 CDCEHM CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294859780 371099082 /nfs/dbraw/zinc/09/90/82/371099082.db2.gz JJXUZMPBXQQMKR-UHFFFAOYSA-N -1 3 258.724 1.932 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)c([O-])c1O ZINC000182841252 391246297 /nfs/dbraw/zinc/24/62/97/391246297.db2.gz YBYWOPUNLVCUTP-WDEREUQCSA-N -1 3 265.309 1.440 10 10 CDCEHM Cc1nc(CNC(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000179501482 261791666 /nfs/dbraw/zinc/79/16/66/261791666.db2.gz NIKAHFPCVGHMNK-UHFFFAOYSA-N -1 3 263.253 1.028 10 10 CDCEHM O=C(NCCCN1CCCC1=O)c1cc([O-])cs1 ZINC000732265457 575084745 /nfs/dbraw/zinc/08/47/45/575084745.db2.gz ZSZOKBGHOLBBPC-UHFFFAOYSA-N -1 3 268.338 1.196 10 10 CDCEHM Cn1c(CNC(=O)c2cc([O-])cs2)nnc1C1CCC1 ZINC000768725749 576304951 /nfs/dbraw/zinc/30/49/51/576304951.db2.gz PMVXZWNRXGXMSH-UHFFFAOYSA-N -1 3 292.364 1.780 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@@H]([C@@H](C)O)C2)c(Cl)c1 ZINC000840977715 617985280 /nfs/dbraw/zinc/98/52/80/617985280.db2.gz JLCUGYLRURYOML-QMTHXVAHSA-N -1 3 285.771 1.936 10 10 CDCEHM CCn1cnnc1CNC(=O)NCc1c([O-])cccc1F ZINC000905146281 626657301 /nfs/dbraw/zinc/65/73/01/626657301.db2.gz AEVFOQCUQZHOSG-UHFFFAOYSA-N -1 3 293.302 1.142 10 10 CDCEHM COCCCCNC(=O)NCc1c([O-])cccc1F ZINC000914096521 631024406 /nfs/dbraw/zinc/02/44/06/631024406.db2.gz STVHSXNEFDVLIK-UHFFFAOYSA-N -1 3 270.304 1.757 10 10 CDCEHM C[C@@H]1C[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000914217756 631264952 /nfs/dbraw/zinc/26/49/52/631264952.db2.gz MTFARANXVMGKRH-RKDXNWHRSA-N -1 3 252.289 1.987 10 10 CDCEHM CN(Cc1cccc(=O)[nH]1)C(=O)c1cccc(O)c1[O-] ZINC001646467766 1167867821 /nfs/dbraw/zinc/86/78/21/1167867821.db2.gz DULKZNFMLPPDSU-UHFFFAOYSA-N -1 3 274.276 1.471 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]1C(F)(F)F ZINC000854520368 828392047 /nfs/dbraw/zinc/39/20/47/828392047.db2.gz OEYUTAAKVWTPDK-MRVPVSSYSA-N -1 3 261.199 1.875 10 10 CDCEHM C[C@H]1COC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000926030287 824301755 /nfs/dbraw/zinc/30/17/55/824301755.db2.gz PHFCALPXMBCZPP-GZMMTYOYSA-N -1 3 268.288 1.365 10 10 CDCEHM CCO[C@@H](C(=O)NCc1c([O-])cccc1F)[C@@H]1CCOC1 ZINC000928707851 824740002 /nfs/dbraw/zinc/74/00/02/824740002.db2.gz CYWQQRQTXSUTNX-QMTHXVAHSA-N -1 3 297.326 1.589 10 10 CDCEHM CC1(C)CO[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000717512972 825460733 /nfs/dbraw/zinc/46/07/33/825460733.db2.gz OXLWQTDASKSSOG-SECBINFHSA-N -1 3 265.309 1.643 10 10 CDCEHM Cn1nccc1[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000846115954 826258125 /nfs/dbraw/zinc/25/81/25/826258125.db2.gz OPINKKYFSJTLML-AWEZNQCLSA-N -1 3 291.326 1.838 10 10 CDCEHM CO[C@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000923260716 826580532 /nfs/dbraw/zinc/58/05/32/826580532.db2.gz BIPYGIOASIITMP-MRVPVSSYSA-N -1 3 256.277 1.365 10 10 CDCEHM CO[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000709060058 826836417 /nfs/dbraw/zinc/83/64/17/826836417.db2.gz MANOEVUVNIEYNI-DTORHVGOSA-N -1 3 251.282 1.253 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCc2nn[nH]c21 ZINC000928706251 826853932 /nfs/dbraw/zinc/85/39/32/826853932.db2.gz PSIKPFMRHROAFO-QMMMGPOBSA-N -1 3 290.298 1.386 10 10 CDCEHM CN1CC[C@@](C)(C(=O)NCc2c([O-])cccc2F)C1=O ZINC000928713006 826877857 /nfs/dbraw/zinc/87/78/57/826877857.db2.gz ZODSHMIWHIFTRB-AWEZNQCLSA-N -1 3 280.299 1.016 10 10 CDCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ncnn1C ZINC000922159078 827283002 /nfs/dbraw/zinc/28/30/02/827283002.db2.gz DJOFRSKDSMXDOP-QMMMGPOBSA-N -1 3 293.302 1.220 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000928712539 827661728 /nfs/dbraw/zinc/66/17/28/827661728.db2.gz SLQJEUCKCLAQLA-SECBINFHSA-N -1 3 292.310 1.158 10 10 CDCEHM CN(C[C@H]1CCCC[C@H]1O)C(=O)c1cccc(O)c1[O-] ZINC001295755508 954740570 /nfs/dbraw/zinc/74/05/70/954740570.db2.gz PAEQUYHEIVSGIU-ZYHUDNBSSA-N -1 3 279.336 1.721 10 10 CDCEHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC(=O)N1C ZINC000282764208 368025653 /nfs/dbraw/zinc/02/56/53/368025653.db2.gz OZSABHGQPFIQQN-SECBINFHSA-N -1 3 268.744 1.708 10 10 CDCEHM Cc1ccc(C(=O)N2CCS[C@@H](C)C2)c([O-])c1O ZINC000182380776 391233913 /nfs/dbraw/zinc/23/39/13/391233913.db2.gz IASUBFYYJWNHCT-VIFPVBQESA-N -1 3 267.350 1.984 10 10 CDCEHM C[C@H](NCc1cn(C)nn1)c1cc(F)cc(F)c1[O-] ZINC000757657740 577048809 /nfs/dbraw/zinc/04/88/09/577048809.db2.gz QIZXLZINVRVZIZ-ZETCQYMHSA-N -1 3 268.267 1.650 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895653255 619789658 /nfs/dbraw/zinc/78/96/58/619789658.db2.gz LWHGRVRRGPHRCU-UFBFGSQYSA-N -1 3 257.692 1.751 10 10 CDCEHM CO[C@H](C(=O)NCc1c([O-])cccc1F)c1cnn(C)c1 ZINC000928707786 620505345 /nfs/dbraw/zinc/50/53/45/620505345.db2.gz IDALECQEHMFGGA-ZDUSSCGKSA-N -1 3 293.298 1.269 10 10 CDCEHM Cc1n[nH]c(C(=O)NCc2c([O-])cccc2F)c1[N+](=O)[O-] ZINC001645047913 1167361791 /nfs/dbraw/zinc/36/17/91/1167361791.db2.gz CNECFBJZNREIMV-UHFFFAOYSA-N -1 3 294.242 1.401 10 10 CDCEHM Cn1nc(C(=O)NCc2c([O-])cccc2F)cc1C=O ZINC001596916702 1174249724 /nfs/dbraw/zinc/24/97/24/1174249724.db2.gz KWYSFQZLWGDSFT-UHFFFAOYSA-N -1 3 277.255 1.007 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC(OCCCO)CC1 ZINC000790879953 828841490 /nfs/dbraw/zinc/84/14/90/828841490.db2.gz XZTKMVNUVQCBAZ-UHFFFAOYSA-N -1 3 295.335 1.101 10 10 CDCEHM O=C(NCC[C@@H](O)C(F)(F)F)c1cccc(O)c1[O-] ZINC000717279613 833004729 /nfs/dbraw/zinc/00/47/29/833004729.db2.gz ONPAZPWAXXVMNE-MRVPVSSYSA-N -1 3 279.214 1.141 10 10 CDCEHM NC(=O)N[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792172635 833293701 /nfs/dbraw/zinc/29/37/01/833293701.db2.gz IRDCBBLUKWKCGC-ZETCQYMHSA-N -1 3 287.722 1.427 10 10 CDCEHM CCNC(=O)CCCC(=O)NCc1c([O-])cccc1F ZINC000928710361 828853161 /nfs/dbraw/zinc/85/31/61/828853161.db2.gz CDRXKYRFWIBDDK-UHFFFAOYSA-N -1 3 282.315 1.454 10 10 CDCEHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCO1 ZINC000126256148 833358092 /nfs/dbraw/zinc/35/80/92/833358092.db2.gz GSGMYINGXSADQF-GZMMTYOYSA-N -1 3 251.282 1.395 10 10 CDCEHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@](O)(CO)C1 ZINC000839159742 829100094 /nfs/dbraw/zinc/10/00/94/829100094.db2.gz PCBMGQXAUBNEIM-CYBMUJFWSA-N -1 3 289.734 1.504 10 10 CDCEHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1F ZINC000790921293 829304915 /nfs/dbraw/zinc/30/49/15/829304915.db2.gz FFQNXWRTESKXBL-SCZZXKLOSA-N -1 3 253.273 1.918 10 10 CDCEHM CCNC(=O)CN(C)Cc1c([O-])cc(C)cc1Cl ZINC000840909963 829869770 /nfs/dbraw/zinc/86/97/70/829869770.db2.gz COKKEYLIVGOJQW-UHFFFAOYSA-N -1 3 270.760 1.922 10 10 CDCEHM Cc1nnc(CNC(=O)NCc2c([O-])cccc2F)s1 ZINC000921873278 830008840 /nfs/dbraw/zinc/00/88/40/830008840.db2.gz VCQCXPFIFPKXMA-UHFFFAOYSA-N -1 3 296.327 1.691 10 10 CDCEHM CC1(C)COC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000313062101 832080192 /nfs/dbraw/zinc/08/01/92/832080192.db2.gz JFTNSIXORZKIRZ-SNVBAGLBSA-N -1 3 251.282 1.253 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC12CCOCC2 ZINC000928704554 832302417 /nfs/dbraw/zinc/30/24/17/832302417.db2.gz BTLZFECCGOUUBG-NSHDSACASA-N -1 3 279.311 1.964 10 10 CDCEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)C1CC1 ZINC000842590319 832857252 /nfs/dbraw/zinc/85/72/52/832857252.db2.gz XHZAVLYZVTXGHD-GFCCVEGCSA-N -1 3 289.328 1.698 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@@H](C)O)C2)c1[O-] ZINC000839672284 835027939 /nfs/dbraw/zinc/02/79/39/835027939.db2.gz PWXFYVUZPYJCHN-YGRLFVJLSA-N -1 3 297.326 1.316 10 10 CDCEHM CCNC(=O)[C@@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000703330387 922688762 /nfs/dbraw/zinc/68/87/62/922688762.db2.gz XFQKKVMBMDIMES-SSDOTTSWSA-N -1 3 258.268 1.285 10 10 CDCEHM COC(=O)[C@H](C)CN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC001546229052 971593599 /nfs/dbraw/zinc/59/35/99/971593599.db2.gz WDSMWQGLYJEPPI-SECBINFHSA-N -1 3 293.319 1.512 10 10 CDCEHM NC(=O)N[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000271404913 364981601 /nfs/dbraw/zinc/98/16/01/364981601.db2.gz WKQADAHIMONYFV-MRVPVSSYSA-N -1 3 269.732 1.288 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN[C@]1(CO)CCOC1 ZINC000293647700 378593723 /nfs/dbraw/zinc/59/37/23/378593723.db2.gz ONMDYRWLJVJHQT-LBPRGKRZSA-N -1 3 275.707 1.426 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCCSCC1 ZINC000126282481 390920546 /nfs/dbraw/zinc/92/05/46/390920546.db2.gz XNJVPWSWVVUASA-UHFFFAOYSA-N -1 3 253.323 1.677 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2CCCOC2)c([O-])c1O ZINC000182392679 391234144 /nfs/dbraw/zinc/23/41/44/391234144.db2.gz HIGDPPMBOGWFOD-VIFPVBQESA-N -1 3 251.282 1.315 10 10 CDCEHM COC(=O)[C@H]1C[C@@H](OC)CN1Cc1ccccc1[O-] ZINC000180150153 329217837 /nfs/dbraw/zinc/21/78/37/329217837.db2.gz VTWQZTBVIKZFSU-VXGBXAGGSA-N -1 3 265.309 1.155 10 10 CDCEHM COC(=O)[C@H]1C[C@H](OC)CN1Cc1cc(F)ccc1[O-] ZINC000180150052 329217930 /nfs/dbraw/zinc/21/79/30/329217930.db2.gz QOMRGEQNFAYEAM-NWDGAFQWSA-N -1 3 283.299 1.294 10 10 CDCEHM CC(C)OC[C@@H](O)COC(=O)c1cc([O-])cs1 ZINC000762889428 576688342 /nfs/dbraw/zinc/68/83/42/576688342.db2.gz DLCNAPYGUMZJFG-SECBINFHSA-N -1 3 260.311 1.396 10 10 CDCEHM CN(Cc1ccns1)C(=O)c1cccc(O)c1[O-] ZINC000404459111 1186517698 /nfs/dbraw/zinc/51/76/98/1186517698.db2.gz YRHKWYJVGSCOOX-UHFFFAOYSA-N -1 3 264.306 1.827 10 10 CDCEHM Cc1ccn(C[C@H](C)C(=O)NCc2c([O-])cccc2F)n1 ZINC000928709545 837438940 /nfs/dbraw/zinc/43/89/40/837438940.db2.gz JLLNJKZMHJDVNV-JTQLQIEISA-N -1 3 291.326 1.989 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCC[C@@H]1CCO ZINC000922100880 836071696 /nfs/dbraw/zinc/07/16/96/836071696.db2.gz QITSFWYBRXUIMH-MFKMUULPSA-N -1 3 296.342 1.882 10 10 CDCEHM C[C@H](O)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000840977677 836307919 /nfs/dbraw/zinc/30/79/19/836307919.db2.gz IYZPSYYOWCFCLC-ZANVPECISA-N -1 3 271.744 1.627 10 10 CDCEHM Cc1cc([O-])c(CN2CCN3CCOC[C@H]3C2)c(Cl)c1 ZINC000840939144 836824862 /nfs/dbraw/zinc/82/48/62/836824862.db2.gz KCQCJVXKZHOGHY-GFCCVEGCSA-N -1 3 296.798 1.870 10 10 CDCEHM Cc1c(CCC(=O)NCc2c([O-])cccc2F)cnn1C ZINC000928705665 837882350 /nfs/dbraw/zinc/88/23/50/837882350.db2.gz MPFFUENSYBDUHM-UHFFFAOYSA-N -1 3 291.326 1.822 10 10 CDCEHM C[C@@](O)(C(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000928706845 839871601 /nfs/dbraw/zinc/87/16/01/839871601.db2.gz WSUPSMVRGUMLLH-ZDUSSCGKSA-N -1 3 253.273 1.309 10 10 CDCEHM O=C(CNCC(F)(F)F)NCc1c([O-])cccc1F ZINC000928710386 839962076 /nfs/dbraw/zinc/96/20/76/839962076.db2.gz CRHPWTOCSPMMOL-UHFFFAOYSA-N -1 3 280.221 1.299 10 10 CDCEHM O=C(NCc1cc2n(n1)CCCC2)c1cccc(O)c1[O-] ZINC000880615738 840147660 /nfs/dbraw/zinc/14/76/60/840147660.db2.gz SVJQUSYMVGZEHV-UHFFFAOYSA-N -1 3 287.319 1.561 10 10 CDCEHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C2(CCC2)CO1 ZINC000846511624 840845054 /nfs/dbraw/zinc/84/50/54/840845054.db2.gz NKQSFNFIQNOPPE-JTQLQIEISA-N -1 3 277.320 1.881 10 10 CDCEHM O=C(NCCOCC1CCC1)c1cccc(O)c1[O-] ZINC000790934662 842324064 /nfs/dbraw/zinc/32/40/64/842324064.db2.gz QPBNTIHYOCPODR-UHFFFAOYSA-N -1 3 265.309 1.644 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000863733859 842330880 /nfs/dbraw/zinc/33/08/80/842330880.db2.gz ZEGDFXPOLOCWHS-MKPLZMMCSA-N -1 3 263.293 1.083 10 10 CDCEHM O=C(N[C@@H]1CCC2(C1)OCCO2)c1cccc(O)c1[O-] ZINC001566944319 1168476797 /nfs/dbraw/zinc/47/67/97/1168476797.db2.gz CYOOPMHMPKXSKQ-SECBINFHSA-N -1 3 279.292 1.123 10 10 CDCEHM CN(Cc1ccccc1O)C(=O)c1cc(=O)[n-]cn1 ZINC001137345802 936494430 /nfs/dbraw/zinc/49/44/30/936494430.db2.gz YKXDKHGSDCQISZ-UHFFFAOYSA-N -1 3 259.265 1.160 10 10 CDCEHM CCO[C@@]1(C)C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001121999228 937898046 /nfs/dbraw/zinc/89/80/46/937898046.db2.gz MGAPQWCIRKLPGI-OCCSQVGLSA-N -1 3 282.315 1.898 10 10 CDCEHM CO[C@H]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC001332784781 957835964 /nfs/dbraw/zinc/83/59/64/957835964.db2.gz XGPOIWZRVYDXLP-UWVGGRQHSA-N -1 3 282.315 1.898 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](CCCO)C1 ZINC001468973517 970211590 /nfs/dbraw/zinc/21/15/90/970211590.db2.gz UFBHOLZOJOMOBI-SNVBAGLBSA-N -1 3 265.309 1.332 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H]1[C@@H]1CCCOC1 ZINC001522777546 970553556 /nfs/dbraw/zinc/55/35/56/970553556.db2.gz OIEILHYXMKGBEF-PWSUYJOCSA-N -1 3 277.320 1.739 10 10 CDCEHM C[C@@H](O)CN1CCN(Cc2cc(F)ccc2[O-])C[C@@H]1C ZINC000180099129 357243382 /nfs/dbraw/zinc/24/33/82/357243382.db2.gz OHHQHDFZFNTGLD-NWDGAFQWSA-N -1 3 282.359 1.418 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)c([O-])c1O ZINC000182577551 391237583 /nfs/dbraw/zinc/23/75/83/391237583.db2.gz ULCYJLFYAYHKBF-SNVBAGLBSA-N -1 3 288.307 1.263 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@H]2CCCC[C@H]21 ZINC000126349911 260350611 /nfs/dbraw/zinc/35/06/11/260350611.db2.gz YXWCYYCSBMKPJO-YPMHNXCESA-N -1 3 277.320 1.881 10 10 CDCEHM Cc1nnc([C@@H]2CN(Cc3cc(F)ccc3[O-])CCO2)[nH]1 ZINC000180238592 329218905 /nfs/dbraw/zinc/21/89/05/329218905.db2.gz IZQCAGXRGWUETC-ZDUSSCGKSA-N -1 3 292.314 1.531 10 10 CDCEHM CCN(C)C(=O)[C@@H](C)NCc1cccc(F)c1[O-] ZINC000231845364 520198175 /nfs/dbraw/zinc/19/81/75/520198175.db2.gz LAQKFDIOHICADM-SECBINFHSA-N -1 3 254.305 1.488 10 10 CDCEHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cc([O-])cs2)CC1=O ZINC000743772669 576653746 /nfs/dbraw/zinc/65/37/46/576653746.db2.gz QYWYNTZUJIHQFM-KHQFGBGNSA-N -1 3 280.349 1.193 10 10 CDCEHM [O-]c1c(Br)cccc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895647799 619774363 /nfs/dbraw/zinc/77/43/63/619774363.db2.gz LZOQTXQUMVNEAR-BXKDBHETSA-N -1 3 284.153 1.721 10 10 CDCEHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCOC1 ZINC000899656759 622348472 /nfs/dbraw/zinc/34/84/72/622348472.db2.gz WOQFAYIITFPDRE-CMPLNLGQSA-N -1 3 295.335 1.269 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C(=O)C1CCSCC1 ZINC000902944918 625628674 /nfs/dbraw/zinc/62/86/74/625628674.db2.gz NZVVJHRIPWAANB-UHFFFAOYSA-N -1 3 297.351 1.860 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1c[nH]cc(Cl)c1=O ZINC001641881769 1167142321 /nfs/dbraw/zinc/14/23/21/1167142321.db2.gz WALNVFMUNBZBDV-UHFFFAOYSA-N -1 3 296.685 1.803 10 10 CDCEHM Cn1ccc(C(=O)NCc2c([O-])cccc2F)cc1=O ZINC001645047948 1167361884 /nfs/dbraw/zinc/36/18/84/1167361884.db2.gz FBBHTICHKOEEDW-UHFFFAOYSA-N -1 3 276.267 1.160 10 10 CDCEHM COc1nn(C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000789863688 843434406 /nfs/dbraw/zinc/43/44/06/843434406.db2.gz XYYOPPVEDIOFTF-UHFFFAOYSA-N -1 3 277.280 1.401 10 10 CDCEHM CC1(C)OCC(NC(=O)NCc2c([O-])cccc2F)CO1 ZINC000921952684 844733845 /nfs/dbraw/zinc/73/38/45/844733845.db2.gz RYRHQEAPJWXDRN-UHFFFAOYSA-N -1 3 298.314 1.482 10 10 CDCEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)C1CC1 ZINC000842590321 845381881 /nfs/dbraw/zinc/38/18/81/845381881.db2.gz XHZAVLYZVTXGHD-LBPRGKRZSA-N -1 3 289.328 1.698 10 10 CDCEHM COCc1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000187097845 846084437 /nfs/dbraw/zinc/08/44/37/846084437.db2.gz JYODMPAZWSJHIA-UHFFFAOYSA-N -1 3 280.305 1.953 10 10 CDCEHM CC1(C)C[C@H](NC(=O)c2cccc(O)c2[O-])CO1 ZINC000396559565 846659621 /nfs/dbraw/zinc/65/96/21/846659621.db2.gz WRYCPKKGNFJWDS-QMMMGPOBSA-N -1 3 251.282 1.395 10 10 CDCEHM C[C@@H](O)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000840977673 847414860 /nfs/dbraw/zinc/41/48/60/847414860.db2.gz IYZPSYYOWCFCLC-RNCFNFMXSA-N -1 3 271.744 1.627 10 10 CDCEHM CNC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000133591499 847550476 /nfs/dbraw/zinc/55/04/76/847550476.db2.gz SEESJAFTNNVWJL-NSHDSACASA-N -1 3 268.744 1.756 10 10 CDCEHM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1cccc(O)c1[O-] ZINC000855919455 847562452 /nfs/dbraw/zinc/56/24/52/847562452.db2.gz DBJZWSWBNJSPDK-MNOVXSKESA-N -1 3 263.293 1.131 10 10 CDCEHM O=C(N[C@@H](c1ncon1)C1CC1)c1cccc(O)c1[O-] ZINC001178446723 915415593 /nfs/dbraw/zinc/41/55/93/915415593.db2.gz XUVPCLYLSSPONJ-SNVBAGLBSA-N -1 3 275.264 1.362 10 10 CDCEHM Cn1cnc2cc(CNC(=O)c3cccc(O)c3[O-])ccc21 ZINC001455852993 968822553 /nfs/dbraw/zinc/82/25/53/968822553.db2.gz TVNUMHXUUDLBJB-UHFFFAOYSA-N -1 3 297.314 1.915 10 10 CDCEHM Cc1cc(Cl)cc(CN2CCN3C(=O)NC[C@@H]3C2)c1[O-] ZINC000180691258 357284465 /nfs/dbraw/zinc/28/44/65/357284465.db2.gz UXDBYEWZNBTWKU-GFCCVEGCSA-N -1 3 295.770 1.563 10 10 CDCEHM COC(=O)[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)ccc1[O-] ZINC000125784749 374964853 /nfs/dbraw/zinc/96/48/53/374964853.db2.gz DQFPGTLDANUNRR-RYUDHWBXSA-N -1 3 299.754 1.808 10 10 CDCEHM Cc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)c([O-])c1O ZINC000179459310 391206607 /nfs/dbraw/zinc/20/66/07/391206607.db2.gz DAZKDAFQKPCDTM-GFCCVEGCSA-N -1 3 290.363 1.717 10 10 CDCEHM Cc1nc(CN(C)C(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000272954067 328202060 /nfs/dbraw/zinc/20/20/60/328202060.db2.gz ITOIIKZNZKKFJP-UHFFFAOYSA-N -1 3 277.280 1.370 10 10 CDCEHM CC(C)C[C@@H](CO)N(C)C(=O)c1cccc(O)c1[O-] ZINC000280433692 519216337 /nfs/dbraw/zinc/21/63/37/519216337.db2.gz JSVAUQGEHSTIOQ-JTQLQIEISA-N -1 3 267.325 1.577 10 10 CDCEHM COc1cccc([O-])c1CN1CCN(CC(F)F)CC1 ZINC000769147839 576334468 /nfs/dbraw/zinc/33/44/68/576334468.db2.gz GPYBLQLMOSHKBA-UHFFFAOYSA-N -1 3 286.322 1.784 10 10 CDCEHM NC(=O)[C@@H]1CC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928711969 620507011 /nfs/dbraw/zinc/50/70/11/620507011.db2.gz WFFDLXKXOBOXRT-BDAKNGLRSA-N -1 3 280.299 1.049 10 10 CDCEHM O=C(NC[C@@H]1Cc2ccccc2CO1)c1cccc(O)c1[O-] ZINC001168010291 1160229779 /nfs/dbraw/zinc/22/97/79/1160229779.db2.gz TUJIQSAYDYOJPG-ZDUSSCGKSA-N -1 3 299.326 1.969 10 10 CDCEHM COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2[O-])C1 ZINC000394028643 1187287850 /nfs/dbraw/zinc/28/78/50/1187287850.db2.gz IOXIFPJWTCBABA-CQSZACIVSA-N -1 3 265.309 1.315 10 10 CDCEHM COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000394028643 1187287853 /nfs/dbraw/zinc/28/78/53/1187287853.db2.gz IOXIFPJWTCBABA-CQSZACIVSA-N -1 3 265.309 1.315 10 10 CDCEHM O=C(N[C@H]1CCc2[nH]cnc2C1)c1c(F)ccc(O)c1[O-] ZINC000827124009 697807504 /nfs/dbraw/zinc/80/75/04/697807504.db2.gz HTLZSPZYDBGMKO-ZETCQYMHSA-N -1 3 291.282 1.247 10 10 CDCEHM O=C(N[C@H]1CCc2nc[nH]c2C1)c1c(F)ccc(O)c1[O-] ZINC000827124009 697807505 /nfs/dbraw/zinc/80/75/05/697807505.db2.gz HTLZSPZYDBGMKO-ZETCQYMHSA-N -1 3 291.282 1.247 10 10 CDCEHM Cc1ccsc1[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000790917373 697903659 /nfs/dbraw/zinc/90/36/59/697903659.db2.gz SOYLKVBWSSADJY-SNVBAGLBSA-N -1 3 293.344 1.931 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000923460645 698090176 /nfs/dbraw/zinc/09/01/76/698090176.db2.gz ANRZPLYYOMYGSF-IINYFYTJSA-N -1 3 294.326 1.898 10 10 CDCEHM Cc1c(NC(=O)NCc2c([O-])cccc2F)nnn1C ZINC000931751297 704869296 /nfs/dbraw/zinc/86/92/96/704869296.db2.gz CBJALQRTZQVJIR-UHFFFAOYSA-N -1 3 279.275 1.290 10 10 CDCEHM CN(C)C(=O)C1(NCc2cc(Cl)c(F)cc2[O-])CC1 ZINC000840959146 705062931 /nfs/dbraw/zinc/06/29/31/705062931.db2.gz UVAUBJJCNBQMAI-UHFFFAOYSA-N -1 3 286.734 1.895 10 10 CDCEHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])n1C ZINC001617999991 1165616819 /nfs/dbraw/zinc/61/68/19/1165616819.db2.gz AGAVOBFCHMSXID-UHFFFAOYSA-N -1 3 260.293 1.675 10 10 CDCEHM CCOC(=O)NCCCC(=O)NCc1c([O-])cccc1F ZINC000928705307 848680801 /nfs/dbraw/zinc/68/08/01/848680801.db2.gz JHANUOPECLIDGX-UHFFFAOYSA-N -1 3 298.314 1.674 10 10 CDCEHM C[C@@H](O)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000840979195 848765350 /nfs/dbraw/zinc/76/53/50/848765350.db2.gz ZHIGTUYIYIMFBH-NOZJJQNGSA-N -1 3 271.744 1.627 10 10 CDCEHM O=C(C[C@H]1CCCOC1)NCc1c([O-])cccc1F ZINC000928707751 849113500 /nfs/dbraw/zinc/11/35/00/849113500.db2.gz HPWAHLLFMKUDOW-SNVBAGLBSA-N -1 3 267.300 1.964 10 10 CDCEHM CCn1cc(CC(=O)NCc2c([O-])cccc2F)cn1 ZINC000928707163 849160581 /nfs/dbraw/zinc/16/05/81/849160581.db2.gz BKQYIACTLNJWNN-UHFFFAOYSA-N -1 3 277.299 1.607 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCc2cncn2C1 ZINC000928706635 849742670 /nfs/dbraw/zinc/74/26/70/849742670.db2.gz SQIXRKMQMTYIAZ-JTQLQIEISA-N -1 3 289.310 1.607 10 10 CDCEHM O=C(NCc1noc(C2CC2)n1)c1cccc(O)c1[O-] ZINC000790909655 849744193 /nfs/dbraw/zinc/74/41/93/849744193.db2.gz ZJXUEZBVDIUQFT-UHFFFAOYSA-N -1 3 275.264 1.288 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCCO1 ZINC000928705341 850037110 /nfs/dbraw/zinc/03/71/10/850037110.db2.gz JTLFTSUMHOCXAU-GFCCVEGCSA-N -1 3 253.273 1.717 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCC(=O)C1 ZINC000928705467 850277995 /nfs/dbraw/zinc/27/79/95/850277995.db2.gz IRRYECIYDNEZLL-QMMMGPOBSA-N -1 3 251.257 1.517 10 10 CDCEHM C[C@]1(C(F)F)CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000698910750 937298242 /nfs/dbraw/zinc/29/82/42/937298242.db2.gz YGEVZNPHGXNROO-CYBMUJFWSA-N -1 3 287.262 1.594 10 10 CDCEHM CO[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000687210097 934257073 /nfs/dbraw/zinc/25/70/73/934257073.db2.gz XZUDQJCFQXORFV-NXEZZACHSA-N -1 3 265.309 1.737 10 10 CDCEHM COC(=O)c1cnc(NCc2c([O-])cccc2F)nc1 ZINC001559284606 965427111 /nfs/dbraw/zinc/42/71/11/965427111.db2.gz KJBHNLCKCZLMMC-UHFFFAOYSA-N -1 3 277.255 1.720 10 10 CDCEHM CC[C@@H](O)CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180128960 357244906 /nfs/dbraw/zinc/24/49/06/357244906.db2.gz CQKYLTRMONVLHS-CQSZACIVSA-N -1 3 282.359 1.420 10 10 CDCEHM O=C1c2cc(O)cc([O-])c2CN1c1ccc(O)cc1 ZINC000089211154 358396346 /nfs/dbraw/zinc/39/63/46/358396346.db2.gz PFNJFMLPBCRODX-UHFFFAOYSA-N -1 3 257.245 1.964 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](CO)C1 ZINC000295446657 378679886 /nfs/dbraw/zinc/67/98/86/378679886.db2.gz UWERRCIHZKYIMH-MRVPVSSYSA-N -1 3 259.708 1.999 10 10 CDCEHM Cc1cc(Br)c([O-])c(CNC2(C(N)=O)CC2)c1 ZINC000761510526 576580292 /nfs/dbraw/zinc/58/02/92/576580292.db2.gz HWPDPDKZNONPHH-UHFFFAOYSA-N -1 3 299.168 1.571 10 10 CDCEHM CC[C@@](NC(=O)c1cccc(O)c1[O-])(C(N)=O)C(C)C ZINC001611392593 1165492673 /nfs/dbraw/zinc/49/26/73/1165492673.db2.gz RFJVGGYXACFKSV-AWEZNQCLSA-N -1 3 280.324 1.118 10 10 CDCEHM O=C(NCc1cc(O)ccc1O)c1cccc(O)c1[O-] ZINC001637126372 1166726735 /nfs/dbraw/zinc/72/67/35/1166726735.db2.gz VUBMYUIRHGDCON-UHFFFAOYSA-N -1 3 275.260 1.439 10 10 CDCEHM CCN(CC(=O)N(C)C)Cc1cccc(F)c1[O-] ZINC000160217300 1178354517 /nfs/dbraw/zinc/35/45/17/1178354517.db2.gz ZJOLZEWVSBGIQW-UHFFFAOYSA-N -1 3 254.305 1.441 10 10 CDCEHM CO[C@@H](C(=O)NCc1c([O-])cccc1F)[C@@H]1CCOC1 ZINC000928706996 705753326 /nfs/dbraw/zinc/75/33/26/705753326.db2.gz ZMLZECMILHPJIQ-NOZJJQNGSA-N -1 3 283.299 1.199 10 10 CDCEHM C[C@@H]1C[C@@H](C(=O)NCc2c([O-])cccc2F)CCO1 ZINC000928707463 710573543 /nfs/dbraw/zinc/57/35/43/710573543.db2.gz DYDNGKRGTBLILD-ZJUUUORDSA-N -1 3 267.300 1.963 10 10 CDCEHM CC(=O)c1cc(Cl)cc(CN2C[C@@H]3C[C@]3(O)C2)c1[O-] ZINC000880417428 710792088 /nfs/dbraw/zinc/79/20/88/710792088.db2.gz NCHICHLKEMHVSP-HZMBPMFUSA-N -1 3 281.739 1.815 10 10 CDCEHM C[C@@H](O)[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000840978105 711837807 /nfs/dbraw/zinc/83/78/07/711837807.db2.gz LBWFLKWTSAZNDP-NOZJJQNGSA-N -1 3 255.289 1.113 10 10 CDCEHM CCc1nnc(CNC(=O)NCc2c([O-])cccc2F)[nH]1 ZINC001635600611 1166601347 /nfs/dbraw/zinc/60/13/47/1166601347.db2.gz VPUAXNZNSIUKSD-UHFFFAOYSA-N -1 3 293.302 1.211 10 10 CDCEHM NC(=O)N[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000690736390 896726696 /nfs/dbraw/zinc/72/66/96/896726696.db2.gz ZAXAMZALRCTVMT-SECBINFHSA-N -1 3 269.732 1.288 10 10 CDCEHM [O-]c1cccc(F)c1CN=c1ncnc2[nH][nH]cc1-2 ZINC001472883033 970719884 /nfs/dbraw/zinc/71/98/84/970719884.db2.gz CGOFOFPIJUYPAK-UHFFFAOYSA-N -1 3 259.244 1.183 10 10 CDCEHM CC(=O)N1CCN(C(=O)c2ccc(C)c(O)c2[O-])[C@H](C)C1 ZINC000272733868 365372363 /nfs/dbraw/zinc/37/23/63/365372363.db2.gz KLMQUEHALFNTEA-SNVBAGLBSA-N -1 3 292.335 1.099 10 10 CDCEHM COC(=O)[C@@H]1C[C@H](OC)CN1Cc1cc(F)ccc1[O-] ZINC000180150086 329217987 /nfs/dbraw/zinc/21/79/87/329217987.db2.gz QOMRGEQNFAYEAM-RYUDHWBXSA-N -1 3 283.299 1.294 10 10 CDCEHM [O-]c1ccc(Cl)cc1CN1CCn2c(CO)nnc2C1 ZINC000769518173 575356025 /nfs/dbraw/zinc/35/60/25/575356025.db2.gz WJWCAWHMACGIFL-UHFFFAOYSA-N -1 3 294.742 1.145 10 10 CDCEHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cc([O-])cs2)CC1=O ZINC000743772671 576653721 /nfs/dbraw/zinc/65/37/21/576653721.db2.gz QYWYNTZUJIHQFM-NQMVMOMDSA-N -1 3 280.349 1.193 10 10 CDCEHM COC(=O)[C@@H]1C[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000924052009 617491651 /nfs/dbraw/zinc/49/16/51/617491651.db2.gz GQGFGLUPZGXXRN-RKDXNWHRSA-N -1 3 296.298 1.140 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@]12CCOC2 ZINC000928708575 620505681 /nfs/dbraw/zinc/50/56/81/620505681.db2.gz PSDAHKBRQXZDJI-HZMBPMFUSA-N -1 3 265.284 1.574 10 10 CDCEHM C[C@@H](OCC1CC1)C(=O)NCc1c([O-])cccc1F ZINC000928710279 620506581 /nfs/dbraw/zinc/50/65/81/620506581.db2.gz AAGVZNVEXSXFKG-SECBINFHSA-N -1 3 267.300 1.963 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCCCO1 ZINC000914387242 631394221 /nfs/dbraw/zinc/39/42/21/631394221.db2.gz VFTWSJZFOBSGGK-SNVBAGLBSA-N -1 3 282.315 1.900 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1CCO ZINC000306080358 1159009615 /nfs/dbraw/zinc/00/96/15/1159009615.db2.gz HYVAAFDPMARGTF-SECBINFHSA-N -1 3 251.282 1.085 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@H](C)O)C2)c1[O-] ZINC000839672280 712218178 /nfs/dbraw/zinc/21/81/78/712218178.db2.gz PWXFYVUZPYJCHN-HZMBPMFUSA-N -1 3 297.326 1.316 10 10 CDCEHM CC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000722046321 712463185 /nfs/dbraw/zinc/46/31/85/712463185.db2.gz OIDAAXJCMQVSPL-SNVBAGLBSA-N -1 3 263.293 1.539 10 10 CDCEHM C[C@H](C[S@@](C)=O)NC(=O)NCc1c([O-])cccc1F ZINC000921924289 921125254 /nfs/dbraw/zinc/12/52/54/921125254.db2.gz NROSKKVGWDVKMH-LILOVNGRSA-N -1 3 288.344 1.098 10 10 CDCEHM C[C@H]1CCN(S(=O)(=O)NCc2c([O-])cccc2F)C1 ZINC000921452767 914935126 /nfs/dbraw/zinc/93/51/26/914935126.db2.gz YWQDXKGXCKTXFF-VIFPVBQESA-N -1 3 288.344 1.208 10 10 CDCEHM CC1(C)[C@H](O)CCN1C(=O)c1cccc(O)c1[O-] ZINC000386489785 936631487 /nfs/dbraw/zinc/63/14/87/936631487.db2.gz JODXVMGZARAADP-SNVBAGLBSA-N -1 3 251.282 1.083 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@]2(CC2(F)F)C1 ZINC000846622357 932086605 /nfs/dbraw/zinc/08/66/05/932086605.db2.gz VHLHAKNYBSWTKJ-LBPRGKRZSA-N -1 3 269.247 1.969 10 10 CDCEHM CC(C)(C)[C@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928704541 933173036 /nfs/dbraw/zinc/17/30/36/933173036.db2.gz BKTWVSNXTJRDSY-LLVKDONJSA-N -1 3 255.289 1.555 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCNC(=O)CC1 ZINC000928706611 933174389 /nfs/dbraw/zinc/17/43/89/933174389.db2.gz RWJIQFYZSJPNFK-VIFPVBQESA-N -1 3 280.299 1.064 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCC=CO1 ZINC000928708764 933174502 /nfs/dbraw/zinc/17/45/02/933174502.db2.gz SUQOHVAXRIONFQ-LBPRGKRZSA-N -1 3 251.257 1.840 10 10 CDCEHM O=C(/C=C\[C@H]1CCOC1)NCc1c([O-])cccc1F ZINC000928706874 933174736 /nfs/dbraw/zinc/17/47/36/933174736.db2.gz YEKQKJQFRIQRMM-LWTINBJPSA-N -1 3 265.284 1.740 10 10 CDCEHM CCn1[nH]c(C)nc1=NC(=O)NCc1c([O-])cccc1F ZINC000931755584 933618399 /nfs/dbraw/zinc/61/83/99/933618399.db2.gz AOBRMINYQKOMLX-UHFFFAOYSA-N -1 3 293.302 1.195 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccnc2n[nH]nc21 ZINC001456029246 968851266 /nfs/dbraw/zinc/85/12/66/968851266.db2.gz LGLUEPCALMUXPB-UHFFFAOYSA-N -1 3 287.254 1.128 10 10 CDCEHM CN(Cc1ccccc1O)C(=O)c1cnncc1[O-] ZINC001465844789 969901451 /nfs/dbraw/zinc/90/14/51/969901451.db2.gz VZTFBQHUUTWAQE-UHFFFAOYSA-N -1 3 259.265 1.160 10 10 CDCEHM CN1C[C@H](NCc2cc(Cl)c(F)cc2[O-])CC1=O ZINC000294466981 199051522 /nfs/dbraw/zinc/05/15/22/199051522.db2.gz ZESPOZIRWFWXSI-MRVPVSSYSA-N -1 3 272.707 1.505 10 10 CDCEHM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000253092165 370216533 /nfs/dbraw/zinc/21/65/33/370216533.db2.gz KOKUWYJMOWVRJI-NEPJUHHUSA-N -1 3 290.363 1.797 10 10 CDCEHM Cc1cc(N2CCN(Cc3cc(F)ccc3[O-])CC2)n[nH]1 ZINC000189020720 329375112 /nfs/dbraw/zinc/37/51/12/329375112.db2.gz MWBMQWQRDAXBFB-UHFFFAOYSA-N -1 3 290.342 1.885 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)c([O-])c1O ZINC000249166914 329905267 /nfs/dbraw/zinc/90/52/67/329905267.db2.gz KGVQIOLDKXQOEE-WCQGTBRESA-N -1 3 277.320 1.704 10 10 CDCEHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N(C)C ZINC000732352790 575088216 /nfs/dbraw/zinc/08/82/16/575088216.db2.gz GZTPAZLCALARCJ-SNVBAGLBSA-N -1 3 271.338 1.723 10 10 CDCEHM COc1cc(Cl)cc(CN2CC(=O)N(C)C2)c1[O-] ZINC000765635588 576046910 /nfs/dbraw/zinc/04/69/10/576046910.db2.gz LBGYJJBUYXHQDB-UHFFFAOYSA-N -1 3 270.716 1.286 10 10 CDCEHM CC(=O)N1CCN(Cc2cccc(F)c2[O-])C(C)(C)C1 ZINC000761215809 576560490 /nfs/dbraw/zinc/56/04/90/576560490.db2.gz UZUKMHQGHGWSQN-UHFFFAOYSA-N -1 3 280.343 1.974 10 10 CDCEHM CC(=O)N1CSC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711537 620506565 /nfs/dbraw/zinc/50/65/65/620506565.db2.gz INGXBQQOXBLLBV-LLVKDONJSA-N -1 3 298.339 1.069 10 10 CDCEHM COCCCNC(=O)NCc1c([O-])cccc1F ZINC000905149463 626660535 /nfs/dbraw/zinc/66/05/35/626660535.db2.gz SVLSKEDHZHPLMH-UHFFFAOYSA-N -1 3 256.277 1.367 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1csc(CO)n1 ZINC001652298270 1171420532 /nfs/dbraw/zinc/42/05/32/1171420532.db2.gz IDNYIKXHRQMPLU-UHFFFAOYSA-N -1 3 282.296 1.410 10 10 CDCEHM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(O)c1[O-] ZINC000193147361 1184554350 /nfs/dbraw/zinc/55/43/50/1184554350.db2.gz GNUPEIYDVJMUBP-HONMWMINSA-N -1 3 289.331 1.785 10 10 CDCEHM CCc1nc(NC(=O)c2c(F)ccc(O)c2[O-])n[nH]1 ZINC001638434345 1166846657 /nfs/dbraw/zinc/84/66/57/1166846657.db2.gz CJIISEZJSOQOHF-UHFFFAOYSA-N -1 3 266.232 1.170 10 10 CDCEHM O=C(NCC1=CCOCC1)NCc1c([O-])cccc1F ZINC000922669001 921736478 /nfs/dbraw/zinc/73/64/78/921736478.db2.gz DUMHKABUKFOIGP-UHFFFAOYSA-N -1 3 280.299 1.677 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840912528 936967606 /nfs/dbraw/zinc/96/76/06/936967606.db2.gz ISRBJQQHTNGNDP-LBPRGKRZSA-N -1 3 284.743 1.040 10 10 CDCEHM CC(C)(C)N1CC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000857303597 928692754 /nfs/dbraw/zinc/69/27/54/928692754.db2.gz XEPKIQDZWPGHPD-SECBINFHSA-N -1 3 296.342 1.840 10 10 CDCEHM [O-]c1ccc(F)cc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000787438863 929375252 /nfs/dbraw/zinc/37/52/52/929375252.db2.gz XMVGYIIWFYYMCK-JTQLQIEISA-N -1 3 261.243 1.733 10 10 CDCEHM Cc1cc(=O)[nH]cc1NC(=O)c1cccc(O)c1[O-] ZINC000788666314 929578050 /nfs/dbraw/zinc/57/80/50/929578050.db2.gz XRPIJJZDAYADGS-UHFFFAOYSA-N -1 3 260.249 1.759 10 10 CDCEHM CC(C)N(Cc1c([O-])ccc(Cl)c1F)C[C@@H](O)CO ZINC000817417628 930532505 /nfs/dbraw/zinc/53/25/05/930532505.db2.gz LYYWKXUBMAWEEA-SECBINFHSA-N -1 3 291.750 1.748 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCSC1 ZINC000928705266 933172830 /nfs/dbraw/zinc/17/28/30/933172830.db2.gz IMDYKKNNWWLDCQ-MRVPVSSYSA-N -1 3 255.314 1.901 10 10 CDCEHM CCCn1cc(C(=O)NCc2c([O-])cccc2F)nn1 ZINC000928706569 933174442 /nfs/dbraw/zinc/17/44/42/933174442.db2.gz XMFJRCSUIWHFTC-UHFFFAOYSA-N -1 3 278.287 1.463 10 10 CDCEHM CN1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1=O ZINC000928706840 933174532 /nfs/dbraw/zinc/17/45/32/933174532.db2.gz WJNDNLONICAESI-VIFPVBQESA-N -1 3 280.299 1.016 10 10 CDCEHM Cc1cnn(CCC(=O)NCc2c([O-])cccc2F)c1 ZINC000928712068 933174565 /nfs/dbraw/zinc/17/45/65/933174565.db2.gz OGINLPSCDAWDIJ-UHFFFAOYSA-N -1 3 277.299 1.743 10 10 CDCEHM COC[C@H]1C(=O)N[C@@H](c2cc(Cl)c(C)cc2[O-])N1C ZINC000849182292 969914477 /nfs/dbraw/zinc/91/44/77/969914477.db2.gz FYZKZNHELPFZTJ-CMPLNLGQSA-N -1 3 284.743 1.429 10 10 CDCEHM COC(=O)c1ccc(CN2C[C@@H](C)CCC2=O)c([O-])c1 ZINC000584597658 346496205 /nfs/dbraw/zinc/49/62/05/346496205.db2.gz DLGOUVIGRYVLHH-JTQLQIEISA-N -1 3 277.320 1.937 10 10 CDCEHM O=C1c2cccc([O-])c2C(=O)c2c(O)c(CO)ccc21 ZINC000013327824 356662371 /nfs/dbraw/zinc/66/23/71/356662371.db2.gz DFYYOMRVRCBFKM-UHFFFAOYSA-N -1 3 270.240 1.366 10 10 CDCEHM C[C@H]1CCNC(=O)[C@@H]1NCc1cc(Cl)c(F)cc1[O-] ZINC000294726192 199153993 /nfs/dbraw/zinc/15/39/93/199153993.db2.gz PQVAYWZLZJRJBL-JVXZTZIISA-N -1 3 286.734 1.799 10 10 CDCEHM CCN(Cc1cccc(F)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000272215771 371092218 /nfs/dbraw/zinc/09/22/18/371092218.db2.gz BEFNFHSVDXQJDK-NSHDSACASA-N -1 3 287.356 1.540 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)c([O-])c1O ZINC000177670059 391174191 /nfs/dbraw/zinc/17/41/91/391174191.db2.gz BJWPJNWTXJHJCG-GXSJLCMTSA-N -1 3 265.309 1.704 10 10 CDCEHM Cc1ccc(C(=O)N(C)CC2(CO)CC2)c([O-])c1O ZINC000275914813 526058822 /nfs/dbraw/zinc/05/88/22/526058822.db2.gz UIVWMMYUTQGASI-UHFFFAOYSA-N -1 3 265.309 1.251 10 10 CDCEHM NC(=O)C[C@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000765202375 575997230 /nfs/dbraw/zinc/99/72/30/575997230.db2.gz FEELUHBDLPNGSS-MRVPVSSYSA-N -1 3 268.338 1.324 10 10 CDCEHM CCC(=O)N1CC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705833 620504891 /nfs/dbraw/zinc/50/48/91/620504891.db2.gz NYNWNINFFAKUAP-SNVBAGLBSA-N -1 3 294.326 1.406 10 10 CDCEHM CC(C)N1C(=O)CC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928707826 620505801 /nfs/dbraw/zinc/50/58/01/620505801.db2.gz CMSGGQANNRSODM-LBPRGKRZSA-N -1 3 294.326 1.547 10 10 CDCEHM CN1CCN(C(=O)c2cccc(O)c2[O-])Cc2cccnc21 ZINC000872309357 1165414056 /nfs/dbraw/zinc/41/40/56/1165414056.db2.gz TUNRNKBSURBSRC-UHFFFAOYSA-N -1 3 299.330 1.585 10 10 CDCEHM Cn1cc(C(F)F)c(CNC(=O)c2cccc(O)c2[O-])n1 ZINC001643822012 1167273286 /nfs/dbraw/zinc/27/32/86/1167273286.db2.gz KHECNKBVODREIF-UHFFFAOYSA-N -1 3 297.261 1.699 10 10 CDCEHM Cc1ccc(C(=O)Nc2ccc3c(c2)nnn3C)c([O-])c1O ZINC001570671785 1170227981 /nfs/dbraw/zinc/22/79/81/1170227981.db2.gz GHKOSZJRWVBSMP-UHFFFAOYSA-N -1 3 298.302 1.940 10 10 CDCEHM COC(=O)c1nccnc1NCc1c([O-])cccc1F ZINC001651438370 1171323731 /nfs/dbraw/zinc/32/37/31/1171323731.db2.gz HZNLPHAGZUQGDX-UHFFFAOYSA-N -1 3 277.255 1.720 10 10 CDCEHM COc1c(F)nccc1NC(=O)c1cccc(O)c1[O-] ZINC001654846168 1171644866 /nfs/dbraw/zinc/64/48/66/1171644866.db2.gz POJSJKLNFIHSRD-UHFFFAOYSA-N -1 3 278.239 1.893 10 10 CDCEHM O=C(CNC(=O)c1cccc(O)c1[O-])c1cccs1 ZINC001596329002 1174235020 /nfs/dbraw/zinc/23/50/20/1174235020.db2.gz VVZWWAKZWPQREN-UHFFFAOYSA-N -1 3 277.301 1.772 10 10 CDCEHM O=C(NCc1ccc(CO)cc1)c1cccc(O)c1[O-] ZINC000227484769 1175778994 /nfs/dbraw/zinc/77/89/94/1175778994.db2.gz QBFYBGBTSCKPTL-UHFFFAOYSA-N -1 3 273.288 1.520 10 10 CDCEHM Cc1[nH]nc(C(=O)NCc2c([O-])cccc2F)c1C ZINC001178412878 915430412 /nfs/dbraw/zinc/43/04/12/915430412.db2.gz JCGLCCIOJVJOFN-UHFFFAOYSA-N -1 3 263.272 1.801 10 10 CDCEHM COC(=O)c1cc([O-])c(CN2CCOC2=O)cc1F ZINC000584597165 346495727 /nfs/dbraw/zinc/49/57/27/346495727.db2.gz HSPBPAFEAMANNS-UHFFFAOYSA-N -1 3 269.228 1.270 10 10 CDCEHM Cc1ccc(C(=O)N2CCCSCC2)c([O-])c1O ZINC000271260882 364979095 /nfs/dbraw/zinc/97/90/95/364979095.db2.gz JOUBYABGXCBEMH-UHFFFAOYSA-N -1 3 267.350 1.985 10 10 CDCEHM O=C1NCCCC[C@@H]1NCc1cc(Cl)c(F)cc1[O-] ZINC000294244927 378631977 /nfs/dbraw/zinc/63/19/77/378631977.db2.gz MZYOXMZKDGGVMM-NSHDSACASA-N -1 3 286.734 1.943 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)c([O-])c1O ZINC000182819630 391245642 /nfs/dbraw/zinc/24/56/42/391245642.db2.gz QNSMJRVNNJQLTE-ZYHUDNBSSA-N -1 3 279.336 1.687 10 10 CDCEHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N(C)C ZINC000732352789 575088163 /nfs/dbraw/zinc/08/81/63/575088163.db2.gz GZTPAZLCALARCJ-JTQLQIEISA-N -1 3 271.338 1.723 10 10 CDCEHM [O-]c1ccccc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000735409000 575465656 /nfs/dbraw/zinc/46/56/56/575465656.db2.gz ZZDWGHKZUCHHPV-UHFFFAOYSA-N -1 3 259.313 1.464 10 10 CDCEHM [O-]c1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)O3)[C@H](O)CO2 ZINC000768465769 576287873 /nfs/dbraw/zinc/28/78/73/576287873.db2.gz KXBYQXKKFZJIPN-UHIISALHSA-N -1 3 277.320 1.181 10 10 CDCEHM COC[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000905146321 626657489 /nfs/dbraw/zinc/65/74/89/626657489.db2.gz BPSJYEHVSHSILK-QMMMGPOBSA-N -1 3 256.277 1.365 10 10 CDCEHM O=C(N[C@@H](CCO)C1CCCC1)c1cccc(O)c1[O-] ZINC000725059452 677706882 /nfs/dbraw/zinc/70/68/82/677706882.db2.gz NUILXFXAPMPQNI-LBPRGKRZSA-N -1 3 279.336 1.769 10 10 CDCEHM CCn1ccc(CC(=O)NCc2c([O-])cccc2F)n1 ZINC000928705327 677887922 /nfs/dbraw/zinc/88/79/22/677887922.db2.gz GRPATKZFLQIMOX-UHFFFAOYSA-N -1 3 277.299 1.607 10 10 CDCEHM CC(=O)N1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928710169 679398161 /nfs/dbraw/zinc/39/81/61/679398161.db2.gz PDPMKEWDRWIKPG-LLVKDONJSA-N -1 3 294.326 1.406 10 10 CDCEHM CO[C@H]1C[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000714542494 679415475 /nfs/dbraw/zinc/41/54/75/679415475.db2.gz MANOEVUVNIEYNI-KYZUINATSA-N -1 3 251.282 1.253 10 10 CDCEHM Cn1ncc(CNCc2c([O-])cccc2Br)n1 ZINC000706854165 1158764947 /nfs/dbraw/zinc/76/49/47/1158764947.db2.gz RIMXQBADNWKJOE-UHFFFAOYSA-N -1 3 297.156 1.573 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ncccc1F ZINC001652298201 1171420409 /nfs/dbraw/zinc/42/04/09/1171420409.db2.gz GAORQFHVYSTCNG-UHFFFAOYSA-N -1 3 264.231 1.995 10 10 CDCEHM CN(C)c1ccnc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001597487088 1174276800 /nfs/dbraw/zinc/27/68/00/1174276800.db2.gz PTARDQQGURHFIF-UHFFFAOYSA-N -1 3 273.292 1.811 10 10 CDCEHM C[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)CO1 ZINC000923048665 923488947 /nfs/dbraw/zinc/48/89/47/923488947.db2.gz UJURITSWTLCBJC-BDAKNGLRSA-N -1 3 268.288 1.508 10 10 CDCEHM COc1ccnc(CNC(=O)c2cccc(O)c2[O-])c1F ZINC001557536848 965184713 /nfs/dbraw/zinc/18/47/13/965184713.db2.gz BCPLLMHFDORFLM-UHFFFAOYSA-N -1 3 292.266 1.571 10 10 CDCEHM O=C(c1cccc(O)c1O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452726667 968167202 /nfs/dbraw/zinc/16/72/02/968167202.db2.gz MKUBFKHKYLDUJR-QMMMGPOBSA-N -1 3 289.291 1.156 10 10 CDCEHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1C(N)=O ZINC001464786448 969816519 /nfs/dbraw/zinc/81/65/19/969816519.db2.gz AJZZFJVCUGKFDD-UHFFFAOYSA-N -1 3 286.287 1.757 10 10 CDCEHM CCO[C@H]1C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711603 679871495 /nfs/dbraw/zinc/87/14/95/679871495.db2.gz JTKPAJWGBYPEGA-PELKAZGASA-N -1 3 253.273 1.573 10 10 CDCEHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)C(F)F ZINC000295388211 378673001 /nfs/dbraw/zinc/67/30/01/378673001.db2.gz FVZQNMGBBDBTKS-XVKPBYJWSA-N -1 3 275.251 1.232 10 10 CDCEHM CCc1nnc(NC(=O)c2cc(O)c([O-])c(O)c2)s1 ZINC000039747379 174172631 /nfs/dbraw/zinc/17/26/31/174172631.db2.gz PYEJSGOAPZODPM-UHFFFAOYSA-N -1 3 281.293 1.470 10 10 CDCEHM Cc1ccc(C(=O)NC(C)(C)C(C)(C)O)c([O-])c1O ZINC000272905324 263009734 /nfs/dbraw/zinc/00/97/34/263009734.db2.gz CKABCDHORDSEMX-UHFFFAOYSA-N -1 3 267.325 1.686 10 10 CDCEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000529974786 333516440 /nfs/dbraw/zinc/51/64/40/333516440.db2.gz CWHSMLFRBPOHGK-APOZVJGGSA-N -1 3 265.309 1.640 10 10 CDCEHM CN(Cc1cc[nH]n1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768448695 576284561 /nfs/dbraw/zinc/28/45/61/576284561.db2.gz VLUUNUGRAIXSRD-ZDUSSCGKSA-N -1 3 275.308 1.173 10 10 CDCEHM CC1(C)CN(C(=O)c2cc([O-])cs2)CCS1(=O)=O ZINC000757434968 577039973 /nfs/dbraw/zinc/03/99/73/577039973.db2.gz GIHVKUCTLVVZIN-UHFFFAOYSA-N -1 3 289.378 1.103 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCc2cc[nH]c(=O)c2C1 ZINC000757686095 577050258 /nfs/dbraw/zinc/05/02/58/577050258.db2.gz IDCSJCISJXQYBO-UHFFFAOYSA-N -1 3 276.317 1.753 10 10 CDCEHM CN(Cc1c([O-])cccc1Cl)C1CS(=O)(=O)C1 ZINC000895401125 619641908 /nfs/dbraw/zinc/64/19/08/619641908.db2.gz UEERJGFIWWUYMO-UHFFFAOYSA-N -1 3 275.757 1.274 10 10 CDCEHM C[C@@H]1OCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928704506 620503109 /nfs/dbraw/zinc/50/31/09/620503109.db2.gz AGZDUIYFZDIPGI-IUCAKERBSA-N -1 3 253.273 1.573 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCOCC1 ZINC000921819697 633319731 /nfs/dbraw/zinc/31/97/31/633319731.db2.gz GJWOTUUKTLVMRA-JTQLQIEISA-N -1 3 282.315 1.900 10 10 CDCEHM CC(C)(C(=O)NCc1c([O-])cccc1F)N1CCOCC1 ZINC000928708400 679739881 /nfs/dbraw/zinc/73/98/81/679739881.db2.gz KPSHSMYPYGMAQW-UHFFFAOYSA-N -1 3 296.342 1.258 10 10 CDCEHM C[C@H](CNC(=O)c1cccc(O)c1[O-])N1CCCCC1=O ZINC000793922193 679856692 /nfs/dbraw/zinc/85/66/92/679856692.db2.gz FHCUARPOHFESAK-SNVBAGLBSA-N -1 3 292.335 1.229 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000790901259 679869998 /nfs/dbraw/zinc/86/99/98/679869998.db2.gz NDFMAEHHEGWPLQ-VXGBXAGGSA-N -1 3 291.347 1.987 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@](O)(C2CC2)C1 ZINC000855693994 682018911 /nfs/dbraw/zinc/01/89/11/682018911.db2.gz FFQYCZWYTCPMKJ-HNNXBMFYSA-N -1 3 277.320 1.475 10 10 CDCEHM CC1(C(=O)CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000863062209 682489081 /nfs/dbraw/zinc/48/90/81/682489081.db2.gz LJTIEZBQUAJZPL-UHFFFAOYSA-N -1 3 277.320 1.977 10 10 CDCEHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@](O)(CO)C1 ZINC000839159745 683049637 /nfs/dbraw/zinc/04/96/37/683049637.db2.gz PCBMGQXAUBNEIM-ZDUSSCGKSA-N -1 3 289.734 1.504 10 10 CDCEHM CN1CC[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928712298 683876943 /nfs/dbraw/zinc/87/69/43/683876943.db2.gz QKNTWCJSHJKMGK-SECBINFHSA-N -1 3 280.299 1.016 10 10 CDCEHM O=C([N-]N1CCOC1=O)c1cc2cc(O)c(O)cc2s1 ZINC001641499955 1167112686 /nfs/dbraw/zinc/11/26/86/1167112686.db2.gz RZYISHBNYZLHSC-UHFFFAOYSA-N -1 3 294.288 1.410 10 10 CDCEHM O=[N+]([O-])c1cnccc1NCc1c([O-])cccc1F ZINC001187677871 920603904 /nfs/dbraw/zinc/60/39/04/920603904.db2.gz PFEINNPURPLESU-UHFFFAOYSA-N -1 3 263.228 1.869 10 10 CDCEHM Cc1cc([O-])c(CN2CC3(C2)CNC(=O)O3)cc1Cl ZINC001327825103 955064637 /nfs/dbraw/zinc/06/46/37/955064637.db2.gz XOATXLQGCCOOAO-UHFFFAOYSA-N -1 3 282.727 1.648 10 10 CDCEHM COCCN1CCN(Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000180100012 357243714 /nfs/dbraw/zinc/24/37/14/357243714.db2.gz OZDOYLRZCVGBOV-GFCCVEGCSA-N -1 3 282.359 1.684 10 10 CDCEHM CO[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CC[C@@H]1C ZINC000187924728 357822984 /nfs/dbraw/zinc/82/29/84/357822984.db2.gz BQQBUDZXSKEGDI-CABZTGNLSA-N -1 3 279.336 1.903 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](C2CC2)C1 ZINC000365724564 360189271 /nfs/dbraw/zinc/18/92/71/360189271.db2.gz VDIOHPJRYYYPQK-GFCCVEGCSA-N -1 3 263.293 1.349 10 10 CDCEHM CCOC(=O)CC[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272960703 365460013 /nfs/dbraw/zinc/46/00/13/365460013.db2.gz JNGCPXKRFUVDQB-JTQLQIEISA-N -1 3 295.335 1.868 10 10 CDCEHM Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c([O-])c1O ZINC000182493643 391236640 /nfs/dbraw/zinc/23/66/40/391236640.db2.gz BTSHLKWYWYBPCZ-JQWIXIFHSA-N -1 3 279.336 1.687 10 10 CDCEHM Cc1ccc(C(=O)N2CCC23CCOCC3)c([O-])c1O ZINC000365574044 526088333 /nfs/dbraw/zinc/08/83/33/526088333.db2.gz HYPSHLSDMUOAGA-UHFFFAOYSA-N -1 3 277.320 1.801 10 10 CDCEHM COC(C)(C)CC(=O)NCc1c([O-])cccc1F ZINC000928709030 620506334 /nfs/dbraw/zinc/50/63/34/620506334.db2.gz VZZYYUFSOZDOIM-UHFFFAOYSA-N -1 3 255.289 1.963 10 10 CDCEHM O=C(NCC1CCC(O)CC1)c1cccc(O)c1[O-] ZINC000227599049 1158607500 /nfs/dbraw/zinc/60/75/00/1158607500.db2.gz ZSYLHBZHZYCNCX-UHFFFAOYSA-N -1 3 265.309 1.379 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000928707837 684527233 /nfs/dbraw/zinc/52/72/33/684527233.db2.gz CSRUCACXMLSSPE-BLBGDKDGSA-N -1 3 263.268 1.373 10 10 CDCEHM CC[C@H](NCc1cn(C)nn1)c1ccc(F)cc1[O-] ZINC000796938643 685086449 /nfs/dbraw/zinc/08/64/49/685086449.db2.gz QRADQQSWHROKSZ-LBPRGKRZSA-N -1 3 264.304 1.901 10 10 CDCEHM CC(C)(C)OCCNC(=O)c1cccc(O)c1[O-] ZINC000308569514 685766803 /nfs/dbraw/zinc/76/68/03/685766803.db2.gz YZRNLJJKIJJMGU-UHFFFAOYSA-N -1 3 253.298 1.643 10 10 CDCEHM COCc1nnc(C[NH2+]Cc2cc(Cl)ccc2[O-])[n-]1 ZINC000850361321 685944133 /nfs/dbraw/zinc/94/41/33/685944133.db2.gz YIEDRSVGFMOMDX-UHFFFAOYSA-N -1 3 282.731 1.600 10 10 CDCEHM CCn1ccnc1CNC(=O)NCc1c([O-])cccc1F ZINC000922699769 685952658 /nfs/dbraw/zinc/95/26/58/685952658.db2.gz ZZVCWIASZDBHAD-UHFFFAOYSA-N -1 3 292.314 1.747 10 10 CDCEHM C[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CO1 ZINC000923048668 685956910 /nfs/dbraw/zinc/95/69/10/685956910.db2.gz UJURITSWTLCBJC-DTWKUNHWSA-N -1 3 268.288 1.508 10 10 CDCEHM CC(C)(C)[C@@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000324546497 685982200 /nfs/dbraw/zinc/98/22/00/685982200.db2.gz SZHWPTLMJGPLFE-JTQLQIEISA-N -1 3 253.298 1.235 10 10 CDCEHM Cc1n[nH]c(C)c1CC(=O)NCc1c([O-])cccc1F ZINC000928708291 686241161 /nfs/dbraw/zinc/24/11/61/686241161.db2.gz FIXWNTGROIHPED-UHFFFAOYSA-N -1 3 277.299 1.730 10 10 CDCEHM CC(C)CCC(=O)NCC(=O)NCc1c([O-])cccc1F ZINC000928712245 686515303 /nfs/dbraw/zinc/51/53/03/686515303.db2.gz PGAICJITKZJWKC-UHFFFAOYSA-N -1 3 296.342 1.700 10 10 CDCEHM CC1(CO)CN(Cc2ccc(Br)cc2[O-])C1 ZINC000826113039 686781600 /nfs/dbraw/zinc/78/16/00/686781600.db2.gz FZUNKABRPLEGOK-UHFFFAOYSA-N -1 3 286.169 1.969 10 10 CDCEHM COCC1(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000923119964 687020875 /nfs/dbraw/zinc/02/08/75/687020875.db2.gz KAFWXUQHUZSTGK-UHFFFAOYSA-N -1 3 282.315 1.757 10 10 CDCEHM O=C1NCC[C@@H]1NCc1cc(Cl)cc(F)c1[O-] ZINC000826770698 688011801 /nfs/dbraw/zinc/01/18/01/688011801.db2.gz ZLRKHWHPBSPWCH-VIFPVBQESA-N -1 3 258.680 1.163 10 10 CDCEHM COc1c(C(=O)NCc2c([O-])cccc2F)cnn1C ZINC001635366751 1166581254 /nfs/dbraw/zinc/58/12/54/1166581254.db2.gz KKLXKWNOLRFWES-UHFFFAOYSA-N -1 3 279.271 1.203 10 10 CDCEHM CN(CC(=O)NC(C)(C)C)Cc1ccccc1[O-] ZINC000111235157 359197070 /nfs/dbraw/zinc/19/70/70/359197070.db2.gz KTSFDCPQKAJFFG-UHFFFAOYSA-N -1 3 250.342 1.739 10 10 CDCEHM CC(=O)N1CCN(C(=O)c2ccc(C)c(O)c2[O-])[C@@H](C)C1 ZINC000272733866 365373231 /nfs/dbraw/zinc/37/32/31/365373231.db2.gz KLMQUEHALFNTEA-JTQLQIEISA-N -1 3 292.335 1.099 10 10 CDCEHM CN(CC(=O)NC1CC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000294963253 371109985 /nfs/dbraw/zinc/10/99/85/371109985.db2.gz QXMPKKNWBCXNFL-UHFFFAOYSA-N -1 3 286.734 1.895 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@]12CCOC2 ZINC000311536751 262338236 /nfs/dbraw/zinc/33/82/36/262338236.db2.gz MLDIPUXEZOSUCD-CQSZACIVSA-N -1 3 263.293 1.493 10 10 CDCEHM CN1CCO[C@H](CNCc2c([O-])cccc2Cl)C1 ZINC000083552476 523950802 /nfs/dbraw/zinc/95/08/02/523950802.db2.gz UXRCCRMFZZQRAB-SNVBAGLBSA-N -1 3 270.760 1.466 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2C)c([O-])c1O ZINC000278480139 526202043 /nfs/dbraw/zinc/20/20/43/526202043.db2.gz KLKZKBKBGXDZIT-MWLCHTKSSA-N -1 3 265.309 1.561 10 10 CDCEHM CN1C(=O)CCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709472 693935810 /nfs/dbraw/zinc/93/58/10/693935810.db2.gz IQAJAXHUZNLXOG-LLVKDONJSA-N -1 3 280.299 1.158 10 10 CDCEHM CCc1nnc(C(=O)NCc2c([O-])cccc2F)s1 ZINC000928705296 688872747 /nfs/dbraw/zinc/87/27/47/688872747.db2.gz FZHGLZWSUUYPTM-UHFFFAOYSA-N -1 3 281.312 1.875 10 10 CDCEHM O=S(=O)(C[C@@H]1CCCO1)NCc1c([O-])cccc1F ZINC000921452656 692322018 /nfs/dbraw/zinc/32/20/18/692322018.db2.gz VJRXYKIBDFDGPR-VIFPVBQESA-N -1 3 289.328 1.130 10 10 CDCEHM CN(CC1CC1)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452694 694550713 /nfs/dbraw/zinc/55/07/13/694550713.db2.gz WNZUJSMEVOUBRB-UHFFFAOYSA-N -1 3 288.344 1.208 10 10 CDCEHM Cn1nccc1CCC(=O)NCc1c([O-])cccc1F ZINC000928709193 692960450 /nfs/dbraw/zinc/96/04/50/692960450.db2.gz YCSNFZUOIKCUNN-UHFFFAOYSA-N -1 3 277.299 1.514 10 10 CDCEHM C[C@H](O)[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000840978110 693381717 /nfs/dbraw/zinc/38/17/17/693381717.db2.gz LBWFLKWTSAZNDP-ZANVPECISA-N -1 3 255.289 1.113 10 10 CDCEHM Cc1cc(Br)c([O-])c(CN(C)CC(N)=O)c1 ZINC000781896423 693386929 /nfs/dbraw/zinc/38/69/29/693386929.db2.gz KSGZXZDEVPWQKK-UHFFFAOYSA-N -1 3 287.157 1.380 10 10 CDCEHM C[C@@H](Cc1c[nH]cn1)C(=O)NCc1c([O-])cccc1F ZINC000928706814 694808654 /nfs/dbraw/zinc/80/86/54/694808654.db2.gz VMMMZGDGZYBNCY-VIFPVBQESA-N -1 3 277.299 1.749 10 10 CDCEHM NC(=O)c1cc(NCc2c([O-])cccc2F)ncn1 ZINC001612950450 1165525196 /nfs/dbraw/zinc/52/51/96/1165525196.db2.gz OIMJLYVPZOWRDV-UHFFFAOYSA-N -1 3 262.244 1.032 10 10 CDCEHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(O)c(O)c1 ZINC001630272840 1166195575 /nfs/dbraw/zinc/19/55/75/1166195575.db2.gz FLAJEPYQTZGKQE-UHFFFAOYSA-N -1 3 291.278 1.801 10 10 CDCEHM CN(Cc1cnccn1)C(=O)c1cccc(O)c1[O-] ZINC000193077468 723099820 /nfs/dbraw/zinc/09/98/20/723099820.db2.gz OROJDUBPNWGPBS-UHFFFAOYSA-N -1 3 259.265 1.160 10 10 CDCEHM O=C(Nc1ccnc(CO)c1)c1cccc(O)c1[O-] ZINC000790904910 723304507 /nfs/dbraw/zinc/30/45/07/723304507.db2.gz HERXLGVCBNCCGV-UHFFFAOYSA-N -1 3 260.249 1.237 10 10 CDCEHM CC[C@@H](C[C@H](C)O)NC(=O)c1cccc(O)c1[O-] ZINC000716888481 723672646 /nfs/dbraw/zinc/67/26/46/723672646.db2.gz IFLLYZOKDNJVTA-IUCAKERBSA-N -1 3 253.298 1.377 10 10 CDCEHM CC(=O)N[C@H](C(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC000928705051 723150190 /nfs/dbraw/zinc/15/01/90/723150190.db2.gz CSKQBEUNNYDZHP-CYBMUJFWSA-N -1 3 296.342 1.698 10 10 CDCEHM CCOC1CC(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928706622 723344920 /nfs/dbraw/zinc/34/49/20/723344920.db2.gz SMZGRWORTDMVHS-UHFFFAOYSA-N -1 3 267.300 1.963 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@H]([C@@H](C)O)C2)cc1Cl ZINC000826123437 1166412793 /nfs/dbraw/zinc/41/27/93/1166412793.db2.gz NPSMIETZGGRGNT-YGRLFVJLSA-N -1 3 285.771 1.936 10 10 CDCEHM CCCCS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452194 914934418 /nfs/dbraw/zinc/93/44/18/914934418.db2.gz HFNLXXBFTXQPIC-UHFFFAOYSA-N -1 3 261.318 1.751 10 10 CDCEHM CO[C@@H](CCNC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000787461217 929377547 /nfs/dbraw/zinc/37/75/47/929377547.db2.gz DZOFCXPJABAODT-VIFPVBQESA-N -1 3 293.241 1.795 10 10 CDCEHM C[C@@H]1C[C@@H](C)[C@H](C(=O)NCc2c([O-])cccc2F)O1 ZINC000928707451 933174510 /nfs/dbraw/zinc/17/45/10/933174510.db2.gz DPTUXHCFSUCEMY-JRKPZEMJSA-N -1 3 267.300 1.961 10 10 CDCEHM CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cccc(O)c1[O-] ZINC001295755505 954740421 /nfs/dbraw/zinc/74/04/21/954740421.db2.gz PAEQUYHEIVSGIU-CMPLNLGQSA-N -1 3 279.336 1.721 10 10 CDCEHM CC(=O)c1cc(F)cc(CN[C@H](C)c2nnnn2C)c1[O-] ZINC001560203066 960885770 /nfs/dbraw/zinc/88/57/70/960885770.db2.gz MXXPAHVVXVXPKJ-SSDOTTSWSA-N -1 3 293.302 1.108 10 10 CDCEHM O=C(c1cccc(O)c1O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452726666 968166961 /nfs/dbraw/zinc/16/69/61/968166961.db2.gz MKUBFKHKYLDUJR-MRVPVSSYSA-N -1 3 289.291 1.156 10 10 CDCEHM O=C(NCc1cccc(Cl)c1[O-])c1n[nH]cc1[N+](=O)[O-] ZINC001457034356 969095731 /nfs/dbraw/zinc/09/57/31/969095731.db2.gz FGDDPXGQDUONLV-UHFFFAOYSA-N -1 3 296.670 1.607 10 10 CDCEHM CN(C)c1ccc(C(=O)NCc2c([O-])cccc2F)cn1 ZINC001596912537 1174248446 /nfs/dbraw/zinc/24/84/46/1174248446.db2.gz OIEIXFDOROKPFI-UHFFFAOYSA-N -1 3 289.310 1.922 10 10 CDCEHM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(O)c1[O-] ZINC000187173016 357736650 /nfs/dbraw/zinc/73/66/50/357736650.db2.gz CEINNZAUPFMASO-SNVBAGLBSA-N -1 3 288.307 1.263 10 10 CDCEHM O=C1NCCC[C@@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000294939729 199261280 /nfs/dbraw/zinc/26/12/80/199261280.db2.gz CDGIOWVFTDNRTB-VIFPVBQESA-N -1 3 299.714 1.322 10 10 CDCEHM O=C(N[C@H]1CCC[C@@H](CO)C1)c1cccc(O)c1[O-] ZINC000298512441 371484603 /nfs/dbraw/zinc/48/46/03/371484603.db2.gz WASZPDGQRVSUEQ-ZJUUUORDSA-N -1 3 265.309 1.379 10 10 CDCEHM O=C(N[C@@H]1CCC[C@@H](CO)C1)c1cccc(O)c1[O-] ZINC000298512426 371484684 /nfs/dbraw/zinc/48/46/84/371484684.db2.gz WASZPDGQRVSUEQ-NXEZZACHSA-N -1 3 265.309 1.379 10 10 CDCEHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CCc2ncnn2C1 ZINC000190973178 373429091 /nfs/dbraw/zinc/42/90/91/373429091.db2.gz UJFOWCGVTBKOJV-MRVPVSSYSA-N -1 3 296.733 1.881 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)c([O-])c1O ZINC000182820349 391245470 /nfs/dbraw/zinc/24/54/70/391245470.db2.gz CUFYKWUQCALYPE-IUCAKERBSA-N -1 3 253.298 1.153 10 10 CDCEHM CC(C)C(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000279026913 519470352 /nfs/dbraw/zinc/47/03/52/519470352.db2.gz AXEBBUPOCIZHEN-UHFFFAOYSA-N -1 3 292.335 1.038 10 10 CDCEHM COc1c([O-])c(CN(C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278219067 521868485 /nfs/dbraw/zinc/86/84/85/521868485.db2.gz LIGRXIAVTRONID-LLVKDONJSA-N -1 3 296.323 1.920 10 10 CDCEHM Cn1cc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])cn1 ZINC000187072872 527317832 /nfs/dbraw/zinc/31/78/32/527317832.db2.gz FFCUCPWUYFASSB-GFCCVEGCSA-N -1 3 287.319 1.809 10 10 CDCEHM C[C@H](CCNC(=O)c1cc([O-])cs1)[S@](C)=O ZINC000764758298 575944828 /nfs/dbraw/zinc/94/48/28/575944828.db2.gz SDAOXCMYCLXGJS-QZTNRIJFSA-N -1 3 261.368 1.341 10 10 CDCEHM C[C@@H](C(=O)NCc1c([O-])cccc1F)[C@@H]1CCC(=O)N1 ZINC000928706631 620505260 /nfs/dbraw/zinc/50/52/60/620505260.db2.gz SPCWNKYOZZOAMW-KCJUWKMLSA-N -1 3 280.299 1.062 10 10 CDCEHM Cc1noc(CCCC(=O)NCc2c([O-])cccc2F)n1 ZINC000928711141 620506495 /nfs/dbraw/zinc/50/64/95/620506495.db2.gz FJCAATIJCUKILU-UHFFFAOYSA-N -1 3 293.298 1.862 10 10 CDCEHM CC(=O)N1CCCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928712263 620507008 /nfs/dbraw/zinc/50/70/08/620507008.db2.gz PQQFPEOUBGGJRH-ZDUSSCGKSA-N -1 3 294.326 1.549 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000899627378 622334908 /nfs/dbraw/zinc/33/49/08/622334908.db2.gz NQMXOXYEBUZUNP-ZWNOBZJWSA-N -1 3 277.320 1.739 10 10 CDCEHM CCOc1ccc(C[NH2+]C[C@@H](CC)C(=O)[O-])c([O-])c1 ZINC000903705245 626059152 /nfs/dbraw/zinc/05/91/52/626059152.db2.gz RUZSULJBWNTOJD-SNVBAGLBSA-N -1 3 267.325 1.991 10 10 CDCEHM CCO[C@H]1[C@H](C(=O)NCc2c([O-])cccc2F)[C@@H]1C ZINC000928709794 695681245 /nfs/dbraw/zinc/68/12/45/695681245.db2.gz LPPFDWXSOFEAGJ-ZEGGKSINSA-N -1 3 267.300 1.819 10 10 CDCEHM CC[C@]1(C(=O)NCc2c([O-])cccc2F)CCNC1=O ZINC000928710734 695191688 /nfs/dbraw/zinc/19/16/88/695191688.db2.gz WLZMFJLYSGBEQM-AWEZNQCLSA-N -1 3 280.299 1.064 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1cn[nH]c1 ZINC000854836508 695865098 /nfs/dbraw/zinc/86/50/98/695865098.db2.gz PPMXMGPAMFCLHM-LLVKDONJSA-N -1 3 273.292 1.798 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCO[C@H]1C1CC1 ZINC000928710942 695978087 /nfs/dbraw/zinc/97/80/87/695978087.db2.gz YJNYOXMXHFTWJT-YGRLFVJLSA-N -1 3 279.311 1.963 10 10 CDCEHM CCn1cnc(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC000921452027 695990147 /nfs/dbraw/zinc/99/01/47/695990147.db2.gz ARWWVDQOUKNUOP-UHFFFAOYSA-N -1 3 299.327 1.226 10 10 CDCEHM O=C(/C=C\[C@H]1CCCO1)NCc1c([O-])cccc1F ZINC000928705288 695995828 /nfs/dbraw/zinc/99/58/28/695995828.db2.gz FUWYCNWJNNDDBA-JYESYGNLSA-N -1 3 265.284 1.883 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000790901257 1162176515 /nfs/dbraw/zinc/17/65/15/1162176515.db2.gz NDFMAEHHEGWPLQ-RYUDHWBXSA-N -1 3 291.347 1.987 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)[N-]OCc1cccnc1 ZINC001630967743 1166244032 /nfs/dbraw/zinc/24/40/32/1166244032.db2.gz IZLBBASMCROMCO-UHFFFAOYSA-N -1 3 274.276 1.283 10 10 CDCEHM O=C(/C=C/CN1CCOCC1)NCc1c([O-])cccc1F ZINC000928705705 724423430 /nfs/dbraw/zinc/42/34/30/724423430.db2.gz LFRCSDSOUAMASE-GORDUTHDSA-N -1 3 294.326 1.036 10 10 CDCEHM [O-]c1cc(Br)ccc1CN1CC(CCO)C1 ZINC000826113985 724434484 /nfs/dbraw/zinc/43/44/84/724434484.db2.gz RZQHXJCZHUILEO-UHFFFAOYSA-N -1 3 286.169 1.969 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)[C@@H](C)O1 ZINC000783811545 723694292 /nfs/dbraw/zinc/69/42/92/723694292.db2.gz CNOLALMNPLYJFE-KXUCPTDWSA-N -1 3 265.309 1.736 10 10 CDCEHM O=C(NCC1(CCO)CCC1)c1cccc(O)c1[O-] ZINC000790897831 723781269 /nfs/dbraw/zinc/78/12/69/723781269.db2.gz PWMGOWFJJYAETD-UHFFFAOYSA-N -1 3 265.309 1.380 10 10 CDCEHM CC(C)CN(C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452286 723885824 /nfs/dbraw/zinc/88/58/24/723885824.db2.gz KKDHMIVMTRRDHZ-UHFFFAOYSA-N -1 3 290.360 1.454 10 10 CDCEHM Cc1cc([O-])c(CN2CCN3C(=O)N=NC3C2)cc1Cl ZINC000825513269 724230087 /nfs/dbraw/zinc/23/00/87/724230087.db2.gz GFJKSHOOXCSNMW-UHFFFAOYSA-N -1 3 294.742 1.667 10 10 CDCEHM CC[C@@H]1OCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922855353 724373081 /nfs/dbraw/zinc/37/30/81/724373081.db2.gz LEOSJYISTWLMPT-YPMHNXCESA-N -1 3 282.315 1.898 10 10 CDCEHM O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1cccc(O)c1[O-] ZINC000855782716 724773756 /nfs/dbraw/zinc/77/37/56/724773756.db2.gz TVYFLOWNDROUIK-MFKMUULPSA-N -1 3 299.273 1.642 10 10 CDCEHM COC(=O)NCCCC(=O)NCc1c([O-])cccc1F ZINC000928712702 724167236 /nfs/dbraw/zinc/16/72/36/724167236.db2.gz WRHRSCQKLDWONZ-UHFFFAOYSA-N -1 3 284.287 1.284 10 10 CDCEHM CC[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000817644476 725213736 /nfs/dbraw/zinc/21/37/36/725213736.db2.gz WGUMMCJHDHMDOK-UWVGGRQHSA-N -1 3 265.309 1.785 10 10 CDCEHM O=[S@]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)ccc1[O-] ZINC000846103097 725367852 /nfs/dbraw/zinc/36/78/52/725367852.db2.gz LWCIWHRXPGEYNZ-DINDLPBHSA-N -1 3 271.769 1.751 10 10 CDCEHM COCC1CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000713975221 725381962 /nfs/dbraw/zinc/38/19/62/725381962.db2.gz VZQFJVXLNVXSNS-UHFFFAOYSA-N -1 3 251.282 1.253 10 10 CDCEHM C[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)CO1 ZINC000923048670 725418648 /nfs/dbraw/zinc/41/86/48/725418648.db2.gz UJURITSWTLCBJC-IUCAKERBSA-N -1 3 268.288 1.508 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCc2c[nH]nc2C1 ZINC000928704837 725665870 /nfs/dbraw/zinc/66/58/70/725665870.db2.gz FKGFORJSVBKJSU-SECBINFHSA-N -1 3 289.310 1.676 10 10 CDCEHM C[C@H]1COCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928707190 725978217 /nfs/dbraw/zinc/97/82/17/725978217.db2.gz BWMOXIITNFUQHC-VHSXEESVSA-N -1 3 267.300 1.820 10 10 CDCEHM O=C(NOc1ccccc1F)c1cccc(O)c1[O-] ZINC001177109473 914489196 /nfs/dbraw/zinc/48/91/96/914489196.db2.gz IXLQINUIUXMKGH-UHFFFAOYSA-N -1 3 263.224 1.961 10 10 CDCEHM COC(=O)[C@H](CC(C)C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000294485864 199058253 /nfs/dbraw/zinc/05/82/53/199058253.db2.gz BXCUZMLLWBIFDA-NSHDSACASA-N -1 3 295.335 1.758 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1cc[nH]n1 ZINC000287298454 369154730 /nfs/dbraw/zinc/15/47/30/369154730.db2.gz ZXIDZCIATCVMON-NSHDSACASA-N -1 3 273.292 1.798 10 10 CDCEHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)C(F)F ZINC000295388209 378670903 /nfs/dbraw/zinc/67/09/03/378670903.db2.gz FVZQNMGBBDBTKS-OIBJUYFYSA-N -1 3 275.251 1.232 10 10 CDCEHM Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c([O-])c1O ZINC000177683853 391174774 /nfs/dbraw/zinc/17/47/74/391174774.db2.gz STEGSNDAHNVZHX-LLVKDONJSA-N -1 3 292.335 1.099 10 10 CDCEHM COc1ncnc2c1CN(Cc1cc(F)ccc1[O-])CC2 ZINC000180037181 329214809 /nfs/dbraw/zinc/21/48/09/329214809.db2.gz YEAVJOWUQAQLRW-UHFFFAOYSA-N -1 3 289.310 1.888 10 10 CDCEHM COc1cccc([O-])c1CN1CCO[C@@]2(CCOC2)C1 ZINC000769554889 575359298 /nfs/dbraw/zinc/35/92/98/575359298.db2.gz BQSREUPPQQQWQX-HNNXBMFYSA-N -1 3 279.336 1.392 10 10 CDCEHM O=C(NCc1noc(C2CC2)n1)c1cc([O-])cs1 ZINC000765403010 576016760 /nfs/dbraw/zinc/01/67/60/576016760.db2.gz MJHDIIWZTMNXNA-UHFFFAOYSA-N -1 3 265.294 1.644 10 10 CDCEHM C[C@@H](COC(=O)c1cc([O-])cs1)CS(C)(=O)=O ZINC000758024229 577068414 /nfs/dbraw/zinc/06/84/14/577068414.db2.gz OQUZEOLQSHZRME-ZETCQYMHSA-N -1 3 278.351 1.291 10 10 CDCEHM Cc1cc([O-])c(CN2CCC[C@@H]2C(N)=O)c(Cl)c1 ZINC000840950184 617729881 /nfs/dbraw/zinc/72/98/81/617729881.db2.gz GLSLIDYAELRIDV-LLVKDONJSA-N -1 3 268.744 1.804 10 10 CDCEHM C[C@H](NCc1c([O-])cccc1Cl)C1N=NC(=O)N1C ZINC000895181287 619432586 /nfs/dbraw/zinc/43/25/86/619432586.db2.gz RRRWOMWTXCSLPX-ZETCQYMHSA-N -1 3 282.731 1.731 10 10 CDCEHM COC/C(C)=C\C(=O)NCc1c([O-])cccc1F ZINC000928704885 620503512 /nfs/dbraw/zinc/50/35/12/620503512.db2.gz AKAPCMGDLPQFIS-TWGQIWQCSA-N -1 3 253.273 1.740 10 10 CDCEHM C[C@@H]1C[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000914217753 631264759 /nfs/dbraw/zinc/26/47/59/631264759.db2.gz MTFARANXVMGKRH-BDAKNGLRSA-N -1 3 252.289 1.987 10 10 CDCEHM CCN(C(=O)c1cccc(O)c1[O-])c1cnn(C)c1 ZINC001627863668 1166020353 /nfs/dbraw/zinc/02/03/53/1166020353.db2.gz OKMZEXZMEXLDAG-UHFFFAOYSA-N -1 3 261.281 1.498 10 10 CDCEHM CN1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001639105420 1166898934 /nfs/dbraw/zinc/89/89/34/1166898934.db2.gz PEQCYDKGSLQDGP-SECBINFHSA-N -1 3 282.315 1.451 10 10 CDCEHM [O-]c1ccc(F)cc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000180117177 726013471 /nfs/dbraw/zinc/01/34/71/726013471.db2.gz ATCJMJOUIQZKJW-CQSZACIVSA-N -1 3 291.326 1.629 10 10 CDCEHM COC(=O)[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923351277 726195360 /nfs/dbraw/zinc/19/53/60/726195360.db2.gz LLGBKSWWAALVRD-KYZUINATSA-N -1 3 296.298 1.282 10 10 CDCEHM CC(=O)C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000808544171 726202362 /nfs/dbraw/zinc/20/23/62/726202362.db2.gz LITWTEOTFOSOLJ-UHFFFAOYSA-N -1 3 278.285 1.922 10 10 CDCEHM O=C(N[C@H](CO)c1ccsc1)c1cccc(O)c1[O-] ZINC000807262853 727020268 /nfs/dbraw/zinc/02/02/68/727020268.db2.gz XCMOSKLHFLNMFX-SNVBAGLBSA-N -1 3 279.317 1.623 10 10 CDCEHM CC(=O)N1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928709415 727043163 /nfs/dbraw/zinc/04/31/63/727043163.db2.gz IGEWMPZLEFPCTB-UHFFFAOYSA-N -1 3 294.326 1.406 10 10 CDCEHM O=C(NCCc1ccccc1O)c1cccc(O)c1[O-] ZINC000192987326 727814613 /nfs/dbraw/zinc/81/46/13/727814613.db2.gz JGAXZVYOGOBFQK-UHFFFAOYSA-N -1 3 273.288 1.776 10 10 CDCEHM C[C@@H]1CN(Cc2c([O-])ccc3ccncc32)CC(=O)N1C ZINC000799954515 727844269 /nfs/dbraw/zinc/84/42/69/727844269.db2.gz YKCSONYGPRMKLN-LLVKDONJSA-N -1 3 285.347 1.603 10 10 CDCEHM COC(=O)[C@H](NCc1cc(F)ccc1[O-])c1ccnn1C ZINC000843429803 728315151 /nfs/dbraw/zinc/31/51/51/728315151.db2.gz IBTYRIMMAZUQEE-CYBMUJFWSA-N -1 3 293.298 1.269 10 10 CDCEHM CCO[C@H](C(=O)NCc1c([O-])cccc1F)[C@H]1CCOC1 ZINC000928707849 728316132 /nfs/dbraw/zinc/31/61/32/728316132.db2.gz CYWQQRQTXSUTNX-HZMBPMFUSA-N -1 3 297.326 1.589 10 10 CDCEHM CCn1ccc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC001642853490 1167204659 /nfs/dbraw/zinc/20/46/59/1167204659.db2.gz AXUNWRRUFSAEHJ-UHFFFAOYSA-N -1 3 261.281 1.244 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCOCC12CCCC2 ZINC000388565699 1167377758 /nfs/dbraw/zinc/37/77/58/1167377758.db2.gz STPYPFOYCBNWAN-UHFFFAOYSA-N -1 3 277.320 1.883 10 10 CDCEHM C[C@@H](C[S@](C)=O)N(C)Cc1cccc(F)c1[O-] ZINC000399868428 897107055 /nfs/dbraw/zinc/10/70/55/897107055.db2.gz PCDVMPJAWQKCFR-XYZCENFISA-N -1 3 259.346 1.730 10 10 CDCEHM Cc1ncc(S(=O)(=O)NCc2c([O-])cccc2F)n1C ZINC000921451530 914935626 /nfs/dbraw/zinc/93/56/26/914935626.db2.gz RMGIMHJGJAAWKS-UHFFFAOYSA-N -1 3 299.327 1.052 10 10 CDCEHM CC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])C(C)(C)C1 ZINC001295665780 954724989 /nfs/dbraw/zinc/72/49/89/954724989.db2.gz PCJQGKULMSGSTP-UHFFFAOYSA-N -1 3 292.335 1.181 10 10 CDCEHM O=C(NN1CCc2ccccc2C1)c1cccc(O)c1[O-] ZINC001469893858 970277474 /nfs/dbraw/zinc/27/74/74/970277474.db2.gz VCAYVMXBXLQTGZ-UHFFFAOYSA-N -1 3 284.315 1.801 10 10 CDCEHM CCOC(=O)c1nccc(NCc2c([O-])cccc2F)n1 ZINC001472883113 970720227 /nfs/dbraw/zinc/72/02/27/970720227.db2.gz GCNXSZLKPHTLPE-UHFFFAOYSA-N -1 3 291.282 1.532 10 10 CDCEHM Cc1nccn1CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC001650746793 1171253566 /nfs/dbraw/zinc/25/35/66/1171253566.db2.gz KSXIYUVFYJWYLQ-UHFFFAOYSA-N -1 3 279.271 1.172 10 10 CDCEHM Cc1nnc2c(NCc3c([O-])cccc3F)nccn12 ZINC001655875298 1171733350 /nfs/dbraw/zinc/73/33/50/1171733350.db2.gz BOXATWWZTJUVOG-UHFFFAOYSA-N -1 3 273.271 1.890 10 10 CDCEHM CC(C)n1ncnc1CNC(=O)c1cccc(O)c1[O-] ZINC000298816667 372304054 /nfs/dbraw/zinc/30/40/54/372304054.db2.gz AROOHFFLSMBGDI-UHFFFAOYSA-N -1 3 276.296 1.200 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([O-])c1O ZINC000245578206 376095849 /nfs/dbraw/zinc/09/58/49/376095849.db2.gz AFPZIIGSXDERTG-ZLKJLUDKSA-N -1 3 291.347 1.950 10 10 CDCEHM COc1ccc([C@H](NCC(N)=O)c2ccccc2)c([O-])c1 ZINC000021964511 171343579 /nfs/dbraw/zinc/34/35/79/171343579.db2.gz FYRTUYMFAJLING-MRXNPFEDSA-N -1 3 286.331 1.565 10 10 CDCEHM Cc1ccc(C(=O)NCC[C@@H]2CCCOC2)c([O-])c1O ZINC000529597307 333500548 /nfs/dbraw/zinc/50/05/48/333500548.db2.gz GNYCQDRWNJFAHN-NSHDSACASA-N -1 3 279.336 1.953 10 10 CDCEHM COC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCOC1 ZINC000899656761 622348486 /nfs/dbraw/zinc/34/84/86/622348486.db2.gz WOQFAYIITFPDRE-PWSUYJOCSA-N -1 3 295.335 1.269 10 10 CDCEHM O=C(Nc1c[nH]nc1Cl)c1cccc(O)c1[O-] ZINC001638627808 1166860415 /nfs/dbraw/zinc/86/04/15/1166860415.db2.gz YDLGIDYAZPSWEN-UHFFFAOYSA-N -1 3 253.645 1.727 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cncc(Cl)n1 ZINC001654828948 1171641479 /nfs/dbraw/zinc/64/14/79/1171641479.db2.gz NEXXRPXOKUVRKJ-UHFFFAOYSA-N -1 3 281.674 1.905 10 10 CDCEHM CC1(CCNC(=O)NCc2c([O-])cccc2F)OCCO1 ZINC000921960140 728920589 /nfs/dbraw/zinc/92/05/89/728920589.db2.gz CYCSBNKKPZZSEX-UHFFFAOYSA-N -1 3 298.314 1.484 10 10 CDCEHM CO[C@@H](C)[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922539359 728475419 /nfs/dbraw/zinc/47/54/19/728475419.db2.gz AVXOPFLETOHQIJ-BDAKNGLRSA-N -1 3 270.304 1.754 10 10 CDCEHM CCCCOCC(=O)NCc1c([O-])cccc1F ZINC000928704792 728592696 /nfs/dbraw/zinc/59/26/96/728592696.db2.gz CUYOHBFSPBALQL-UHFFFAOYSA-N -1 3 255.289 1.964 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)O[C@H]1CCOC1 ZINC000921451814 729358190 /nfs/dbraw/zinc/35/81/90/729358190.db2.gz WPEHZRAJORCLIX-QMMMGPOBSA-N -1 3 255.245 1.546 10 10 CDCEHM C[C@H]1C[C@H](C(=O)NCc2c([O-])cccc2F)CCO1 ZINC000928707462 729637817 /nfs/dbraw/zinc/63/78/17/729637817.db2.gz DYDNGKRGTBLILD-VHSXEESVSA-N -1 3 267.300 1.963 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1cn[nH]c1 ZINC000854836509 729703315 /nfs/dbraw/zinc/70/33/15/729703315.db2.gz PPMXMGPAMFCLHM-NSHDSACASA-N -1 3 273.292 1.798 10 10 CDCEHM C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ncnn21 ZINC000855328816 729864939 /nfs/dbraw/zinc/86/49/39/729864939.db2.gz XVXSRGGIOUOHNZ-IONNQARKSA-N -1 3 274.280 1.125 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]2COCC[C@H]21 ZINC000790905430 730406637 /nfs/dbraw/zinc/40/66/37/730406637.db2.gz OGTMHHQTGDTPNK-ZYHUDNBSSA-N -1 3 277.320 1.739 10 10 CDCEHM Cc1cnc(CNC(=O)c2cccc(O)c2[O-])nc1 ZINC001639713560 1166965727 /nfs/dbraw/zinc/96/57/27/1166965727.db2.gz KMDISBFLWTUENI-UHFFFAOYSA-N -1 3 259.265 1.126 10 10 CDCEHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@@H]2COC[C@H]2O1 ZINC000846624355 932087995 /nfs/dbraw/zinc/08/79/95/932087995.db2.gz MKBCMIVNZFXLAA-ZYHUDNBSSA-N -1 3 293.319 1.116 10 10 CDCEHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCOC1 ZINC000402701883 940907575 /nfs/dbraw/zinc/90/75/75/940907575.db2.gz PAAPRWKYUSWBIG-SNVBAGLBSA-N -1 3 265.309 1.739 10 10 CDCEHM O=C(N[C@@H]1C[C@H]1c1ccco1)c1cccc(O)c1[O-] ZINC001557003596 965131614 /nfs/dbraw/zinc/13/16/14/965131614.db2.gz ARINNIVBRZRSIV-NXEZZACHSA-N -1 3 259.261 1.977 10 10 CDCEHM O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC001557270814 965160246 /nfs/dbraw/zinc/16/02/46/965160246.db2.gz LNEQCSGEMNDHDF-FOGDFJRCSA-N -1 3 263.293 1.395 10 10 CDCEHM CNC(=O)[C@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000179945527 357232648 /nfs/dbraw/zinc/23/26/48/357232648.db2.gz ZEOGAUCOSANNTG-LLVKDONJSA-N -1 3 252.289 1.242 10 10 CDCEHM CO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000285923421 368673721 /nfs/dbraw/zinc/67/37/21/368673721.db2.gz GJVXCAURHBIGNZ-AOOOYVTPSA-N -1 3 265.309 1.656 10 10 CDCEHM CC[C@@H]1CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000294131239 378615734 /nfs/dbraw/zinc/61/57/34/378615734.db2.gz UBPDUHMCOACMCX-SNVBAGLBSA-N -1 3 298.364 1.388 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCOCC2(CC2)C1 ZINC000790926745 1162175590 /nfs/dbraw/zinc/17/55/90/1162175590.db2.gz QZBGYKSNAOHYLM-UHFFFAOYSA-N -1 3 263.293 1.350 10 10 CDCEHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc([O-])cs1 ZINC000732273571 575085517 /nfs/dbraw/zinc/08/55/17/575085517.db2.gz YVWGWIODGKERQN-HTQZYQBOSA-N -1 3 268.338 1.180 10 10 CDCEHM O=C(NCC[C@H](O)C(F)(F)F)c1cc([O-])cs1 ZINC000748419129 576911779 /nfs/dbraw/zinc/91/17/79/576911779.db2.gz LTFZTJQCWIDQJH-ZETCQYMHSA-N -1 3 269.244 1.497 10 10 CDCEHM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895652991 619789899 /nfs/dbraw/zinc/78/98/99/619789899.db2.gz KLUKPIZYZDONDB-MADCSZMMSA-N -1 3 257.692 1.751 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000928710955 620506590 /nfs/dbraw/zinc/50/65/90/620506590.db2.gz OQTLPMXJJXEHQO-PKFCDNJMSA-N -1 3 279.311 1.963 10 10 CDCEHM COCCNC(=S)NCc1c([O-])cccc1F ZINC000905662183 626905981 /nfs/dbraw/zinc/90/59/81/626905981.db2.gz UTOWAVXIEJYMMY-UHFFFAOYSA-N -1 3 258.318 1.142 10 10 CDCEHM C[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921754430 633267778 /nfs/dbraw/zinc/26/77/78/633267778.db2.gz LCHHJONOWWSOON-VHSXEESVSA-N -1 3 282.315 1.898 10 10 CDCEHM COC(=O)[C@H](CF)NCc1c([O-])cc(C)cc1Cl ZINC000840945363 730939404 /nfs/dbraw/zinc/93/94/04/730939404.db2.gz LLJUEXQYYZNSGP-JTQLQIEISA-N -1 3 275.707 1.955 10 10 CDCEHM Cc1cnn(CCNC(=O)c2cccc(O)c2[O-])c1 ZINC000189899609 731014195 /nfs/dbraw/zinc/01/41/95/731014195.db2.gz YYXBVCVQPFXXKZ-UHFFFAOYSA-N -1 3 261.281 1.033 10 10 CDCEHM O=c1[nH]nc2n1CCN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000776520519 731251906 /nfs/dbraw/zinc/25/19/06/731251906.db2.gz NRKPHQVAMZKSFS-UHFFFAOYSA-N -1 3 298.705 1.498 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000923460646 731311583 /nfs/dbraw/zinc/31/15/83/731311583.db2.gz ANRZPLYYOMYGSF-QMTHXVAHSA-N -1 3 294.326 1.898 10 10 CDCEHM CC[C@H](C[C@H](C)O)NC(=O)c1cccc(O)c1[O-] ZINC000716888113 732360474 /nfs/dbraw/zinc/36/04/74/732360474.db2.gz IFLLYZOKDNJVTA-DTWKUNHWSA-N -1 3 253.298 1.377 10 10 CDCEHM COC[C@H](NC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000921589301 732394850 /nfs/dbraw/zinc/39/48/50/732394850.db2.gz KTGGYIVZKQLZNQ-LBPRGKRZSA-N -1 3 282.315 1.756 10 10 CDCEHM O=S(=O)(C[C@H]1CCCO1)NCc1c([O-])cccc1F ZINC000921452655 733144198 /nfs/dbraw/zinc/14/41/98/733144198.db2.gz VJRXYKIBDFDGPR-SECBINFHSA-N -1 3 289.328 1.130 10 10 CDCEHM O=C(N[C@H](CO)CC1CCCC1)c1cccc(O)c1[O-] ZINC001617534043 1165599513 /nfs/dbraw/zinc/59/95/13/1165599513.db2.gz DBJMIBFCTPOTDK-NSHDSACASA-N -1 3 279.336 1.769 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCC12OCCO2 ZINC000928707148 933174134 /nfs/dbraw/zinc/17/41/34/933174134.db2.gz BEQZYSLZPXUMDN-NSHDSACASA-N -1 3 295.310 1.691 10 10 CDCEHM COCc1ccnc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001452735256 968169876 /nfs/dbraw/zinc/16/98/76/968169876.db2.gz VPUTVLWNGLLXFV-UHFFFAOYSA-N -1 3 274.276 1.892 10 10 CDCEHM O=S1(=O)CC[C@@H](NCc2cc(Cl)c(F)cc2[O-])C1 ZINC000294777157 199178583 /nfs/dbraw/zinc/17/85/83/199178583.db2.gz BLRFUSMQEJWPJA-MRVPVSSYSA-N -1 3 293.747 1.461 10 10 CDCEHM COCC1(O)CN(Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000297433562 200188284 /nfs/dbraw/zinc/18/82/84/200188284.db2.gz FQCNKDITZZZWIW-UHFFFAOYSA-N -1 3 271.744 1.547 10 10 CDCEHM COCCN1CCCN(Cc2cc(F)ccc2[O-])CC1=O ZINC000191700962 373547563 /nfs/dbraw/zinc/54/75/63/373547563.db2.gz TUWDHEWOAUCPCT-UHFFFAOYSA-N -1 3 296.342 1.212 10 10 CDCEHM COCCN(CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000295229495 378664151 /nfs/dbraw/zinc/66/41/51/378664151.db2.gz CQPBJVRNVMHRKX-UHFFFAOYSA-N -1 3 277.723 1.625 10 10 CDCEHM COC(=O)CCCCCNC(=O)c1cc([O-])cs1 ZINC000731865227 575066552 /nfs/dbraw/zinc/06/65/52/575066552.db2.gz LGHHOKIVICGUMO-UHFFFAOYSA-N -1 3 271.338 1.917 10 10 CDCEHM O=C(CCCNC(=O)C1CC1)NCc1c([O-])cccc1F ZINC000928712236 620507091 /nfs/dbraw/zinc/50/70/91/620507091.db2.gz PDZMOXWRWKLFPN-UHFFFAOYSA-N -1 3 294.326 1.454 10 10 CDCEHM CCC(C)(C)[C@@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928712795 620507471 /nfs/dbraw/zinc/50/74/71/620507471.db2.gz VELARDRPXQEXMO-LBPRGKRZSA-N -1 3 269.316 1.945 10 10 CDCEHM CCOCCCNC(=S)NCc1c([O-])cccc1F ZINC000905662162 626905886 /nfs/dbraw/zinc/90/58/86/626905886.db2.gz UGERVYJHFWDEKY-UHFFFAOYSA-N -1 3 286.372 1.922 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCCCO1 ZINC000914387241 631394455 /nfs/dbraw/zinc/39/44/55/631394455.db2.gz VFTWSJZFOBSGGK-JTQLQIEISA-N -1 3 282.315 1.900 10 10 CDCEHM O=C(N[C@@H](CO)CC1CCCC1)c1cccc(O)c1[O-] ZINC001617534041 1165600115 /nfs/dbraw/zinc/60/01/15/1165600115.db2.gz DBJMIBFCTPOTDK-LLVKDONJSA-N -1 3 279.336 1.769 10 10 CDCEHM CC[C@@H](O)[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712616 735305225 /nfs/dbraw/zinc/30/52/25/735305225.db2.gz SOFXTYQDWNIBQC-LDYMZIIASA-N -1 3 255.289 1.555 10 10 CDCEHM CSC1CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000707257713 735397375 /nfs/dbraw/zinc/39/73/75/735397375.db2.gz OOIYWUVFOMIYBH-UHFFFAOYSA-N -1 3 253.323 1.722 10 10 CDCEHM CN1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825517346 735960516 /nfs/dbraw/zinc/96/05/16/735960516.db2.gz TYSDPPJOEOPZBT-MRVPVSSYSA-N -1 3 268.288 1.061 10 10 CDCEHM O=C(N[C@@H]1CCCC[C@H]1CO)c1cccc(O)c1[O-] ZINC000187216592 733588151 /nfs/dbraw/zinc/58/81/51/733588151.db2.gz FYJGLRQKHZDOOL-GXSJLCMTSA-N -1 3 265.309 1.379 10 10 CDCEHM CCn1ncc(C)c1NC(=O)c1cccc(O)c1[O-] ZINC001165765549 939577024 /nfs/dbraw/zinc/57/70/24/939577024.db2.gz HQTPNECDWOPPLU-UHFFFAOYSA-N -1 3 261.281 1.875 10 10 CDCEHM COc1cc(CCNC(=O)c2cccc(O)c2[O-])ccn1 ZINC001302150747 955997301 /nfs/dbraw/zinc/99/73/01/955997301.db2.gz ZEQDGYBSNJZQRS-UHFFFAOYSA-N -1 3 288.303 1.474 10 10 CDCEHM COc1ncccc1C(=O)NCc1c([O-])cccc1F ZINC001456093725 968864452 /nfs/dbraw/zinc/86/44/52/968864452.db2.gz NPVXBRZDRQQNAA-UHFFFAOYSA-N -1 3 276.267 1.865 10 10 CDCEHM Cc1onc(CO)c1C(=O)NCc1c([O-])cccc1F ZINC001471975773 970526459 /nfs/dbraw/zinc/52/64/59/970526459.db2.gz GVTVNEVKRFJLJR-UHFFFAOYSA-N -1 3 280.255 1.250 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC(=O)N(C)[C@@H](C)C2)c1[O-] ZINC000282212348 367777838 /nfs/dbraw/zinc/77/78/38/367777838.db2.gz OMULSTZSGPMZFK-VIFPVBQESA-N -1 3 294.326 1.396 10 10 CDCEHM COC(=O)[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732284316 575086727 /nfs/dbraw/zinc/08/67/27/575086727.db2.gz PACSYDLCTSJBRC-QMMMGPOBSA-N -1 3 269.322 1.479 10 10 CDCEHM CCOC(=O)CC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000761058164 576539383 /nfs/dbraw/zinc/53/93/83/576539383.db2.gz VOBRCFHCDOEYRL-QMMMGPOBSA-N -1 3 271.338 1.915 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000765403801 576016813 /nfs/dbraw/zinc/01/68/13/576016813.db2.gz NXXOFFGFGNYGGC-MRVPVSSYSA-N -1 3 282.321 1.120 10 10 CDCEHM CO[C@]12CCC[C@@]1(NC(=O)c1cccc(O)c1[O-])CCO2 ZINC000928062353 618430793 /nfs/dbraw/zinc/43/07/93/618430793.db2.gz XFSZQLQCAKFZDY-CABCVRRESA-N -1 3 293.319 1.513 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCn2cncc2C1 ZINC000928707143 620505040 /nfs/dbraw/zinc/50/50/40/620505040.db2.gz BAXSHZFNTKGRPR-JTQLQIEISA-N -1 3 289.310 1.607 10 10 CDCEHM CCOCCOCC(=O)NCc1c([O-])cccc1F ZINC000928711811 620507236 /nfs/dbraw/zinc/50/72/36/620507236.db2.gz LKWZFHWBVMBENX-UHFFFAOYSA-N -1 3 271.288 1.201 10 10 CDCEHM Cc1ncc(CC(=O)NCc2c([O-])cccc2F)o1 ZINC001645051173 1167362090 /nfs/dbraw/zinc/36/20/90/1167362090.db2.gz YXWPDPMIFBVGEM-UHFFFAOYSA-N -1 3 264.256 1.687 10 10 CDCEHM O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(O)c1[O-] ZINC000248721053 1181115756 /nfs/dbraw/zinc/11/57/56/1181115756.db2.gz GNUPEIYDVJMUBP-LERXQTSPSA-N -1 3 289.331 1.785 10 10 CDCEHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccn(C)n1 ZINC001626192355 1163969586 /nfs/dbraw/zinc/96/95/86/1163969586.db2.gz IENCCTZENFBYJJ-MRVPVSSYSA-N -1 3 261.281 1.322 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1=COCCC1 ZINC000928711216 736663369 /nfs/dbraw/zinc/66/33/69/736663369.db2.gz IFWKEGNUSWFSFU-UHFFFAOYSA-N -1 3 251.257 1.842 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnc2n1CCC2 ZINC000928706220 736748549 /nfs/dbraw/zinc/74/85/49/736748549.db2.gz OZWBJPDIZAPTJG-UHFFFAOYSA-N -1 3 275.283 1.604 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H](O)C1CCC1 ZINC000928706689 738071256 /nfs/dbraw/zinc/07/12/56/738071256.db2.gz VDLRJXYHBYJRPR-GFCCVEGCSA-N -1 3 253.273 1.309 10 10 CDCEHM CN1CCCC[C@H](C(=O)NCc2c([O-])cccc2F)C1=O ZINC000928712811 738938042 /nfs/dbraw/zinc/93/80/42/738938042.db2.gz VLVRADYLPYUNCN-SNVBAGLBSA-N -1 3 294.326 1.406 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@H](CC(N)=O)C2)cc1Cl ZINC000862535826 737804352 /nfs/dbraw/zinc/80/43/52/737804352.db2.gz ZKCCYPYIJBWFOU-LLVKDONJSA-N -1 3 298.770 1.430 10 10 CDCEHM COc1cc(Cl)cc(CN2CC(=O)N(C)[C@H](C)C2)c1[O-] ZINC000282848624 368067027 /nfs/dbraw/zinc/06/70/27/368067027.db2.gz WFZZFKVWXHHWSI-SECBINFHSA-N -1 3 298.770 1.717 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1CC(F)F ZINC000286664064 368929798 /nfs/dbraw/zinc/92/97/98/368929798.db2.gz HKXWLMHPSCRXLT-QMMMGPOBSA-N -1 3 287.262 1.594 10 10 CDCEHM CCN(CC)C(=O)CN(C)Cc1cccc(F)c1[O-] ZINC000160221144 391223091 /nfs/dbraw/zinc/22/30/91/391223091.db2.gz PFQDDUZCQUCCKC-UHFFFAOYSA-N -1 3 268.332 1.832 10 10 CDCEHM COc1cccc([O-])c1CN1CCS(=O)(=O)C(C)(C)C1 ZINC000769505700 575353514 /nfs/dbraw/zinc/35/35/14/575353514.db2.gz HWLZDXVDVJYYBK-UHFFFAOYSA-N -1 3 299.392 1.410 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC[C@H](O)[C@H](F)C2)c1[O-] ZINC000934573780 617663446 /nfs/dbraw/zinc/66/34/46/617663446.db2.gz HBUVPCPBJHVESE-OLZOCXBDSA-N -1 3 285.290 1.639 10 10 CDCEHM COC(=O)CC(C)(C)N(C)C(=O)c1cccc(O)c1[O-] ZINC001632460045 1166350591 /nfs/dbraw/zinc/35/05/91/1166350591.db2.gz WEXFPHDERFDXCV-UHFFFAOYSA-N -1 3 281.308 1.512 10 10 CDCEHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])nc1 ZINC000400889881 1186386374 /nfs/dbraw/zinc/38/63/74/1186386374.db2.gz AAUFEDLVHCJLNX-UHFFFAOYSA-N -1 3 258.277 1.731 10 10 CDCEHM C[C@H](NCc1cccc(F)c1[O-])c1cn(C)nn1 ZINC000720606579 741449464 /nfs/dbraw/zinc/44/94/64/741449464.db2.gz LVOCCTNSXRMGLO-QMMMGPOBSA-N -1 3 250.277 1.511 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1(O)CCCC1 ZINC000928705808 741459418 /nfs/dbraw/zinc/45/94/18/741459418.db2.gz NGFLNIVYTZZFBJ-UHFFFAOYSA-N -1 3 253.273 1.453 10 10 CDCEHM C[C@H](N[C@@H](CO)c1ccnn1C)c1ccc(F)cc1[O-] ZINC000858434423 739915004 /nfs/dbraw/zinc/91/50/04/739915004.db2.gz GNVXEVLOKGAPTK-CABZTGNLSA-N -1 3 279.315 1.649 10 10 CDCEHM O=C(C[C@@H]1CCCOC1)NCc1c([O-])cccc1F ZINC000928707750 740783469 /nfs/dbraw/zinc/78/34/69/740783469.db2.gz HPWAHLLFMKUDOW-JTQLQIEISA-N -1 3 267.300 1.964 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]2COCC[C@@H]21 ZINC000790905428 740969156 /nfs/dbraw/zinc/96/91/56/740969156.db2.gz OGTMHHQTGDTPNK-PWSUYJOCSA-N -1 3 277.320 1.739 10 10 CDCEHM O=S(=O)(CC1(F)CC1)NCc1c([O-])cccc1F ZINC000921451003 742709159 /nfs/dbraw/zinc/70/91/59/742709159.db2.gz ITIVDEOJBZBSMU-UHFFFAOYSA-N -1 3 277.292 1.453 10 10 CDCEHM O=C(NC[C@H]1CCCC[C@H]1O)c1cccc(O)c1[O-] ZINC000126622977 260354776 /nfs/dbraw/zinc/35/47/76/260354776.db2.gz QIBGZORVRMFESH-MWLCHTKSSA-N -1 3 265.309 1.379 10 10 CDCEHM CCOC(=O)CC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000279756223 520703607 /nfs/dbraw/zinc/70/36/07/520703607.db2.gz DDUDRJCGGCQSEB-SECBINFHSA-N -1 3 281.308 1.559 10 10 CDCEHM CN(C)c1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1 ZINC000735407671 575465601 /nfs/dbraw/zinc/46/56/01/575465601.db2.gz LPQUDJUUYAZLCV-UHFFFAOYSA-N -1 3 286.383 1.825 10 10 CDCEHM CN(C)c1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000735407671 575465605 /nfs/dbraw/zinc/46/56/05/575465605.db2.gz LPQUDJUUYAZLCV-UHFFFAOYSA-N -1 3 286.383 1.825 10 10 CDCEHM CN1CN(Cc2cc(Br)ccc2[O-])CC1=O ZINC000765643215 576047246 /nfs/dbraw/zinc/04/72/46/576047246.db2.gz SMNIRZLWKLSCMA-UHFFFAOYSA-N -1 3 285.141 1.386 10 10 CDCEHM CC(C)NC(=O)CNC(=S)NCc1c([O-])cccc1F ZINC000905660235 626905341 /nfs/dbraw/zinc/90/53/41/626905341.db2.gz GDTMNRVJMARRNT-UHFFFAOYSA-N -1 3 299.371 1.020 10 10 CDCEHM C[C@@H]1C[C@H](CO)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000398783668 1158464780 /nfs/dbraw/zinc/46/47/80/1158464780.db2.gz POBGYDKXXVVNNT-ZJUUUORDSA-N -1 3 265.309 1.188 10 10 CDCEHM Cn1cc(C=O)cc1C(=O)NCc1c([O-])cccc1F ZINC001638862878 1166880501 /nfs/dbraw/zinc/88/05/01/1166880501.db2.gz GXMCYWRULCUGCH-UHFFFAOYSA-N -1 3 276.267 1.612 10 10 CDCEHM CN1Cc2c(cccc2NC(=O)c2cccc(O)c2[O-])C1=O ZINC001639024115 1166892162 /nfs/dbraw/zinc/89/21/62/1166892162.db2.gz VHOQWPSNMKYAMN-UHFFFAOYSA-N -1 3 298.298 1.936 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccc[nH]c1=O ZINC001596912535 1174249341 /nfs/dbraw/zinc/24/93/41/1174249341.db2.gz OIBVJZJXXMUADJ-UHFFFAOYSA-N -1 3 262.240 1.562 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]2COCC[C@@H]21 ZINC000790905426 743336327 /nfs/dbraw/zinc/33/63/27/743336327.db2.gz OGTMHHQTGDTPNK-JQWIXIFHSA-N -1 3 277.320 1.739 10 10 CDCEHM CCN(CC)C(=O)CCC(=O)NCc1c([O-])cccc1F ZINC000928704793 743502660 /nfs/dbraw/zinc/50/26/60/743502660.db2.gz CVEVGMBHISUSKY-UHFFFAOYSA-N -1 3 296.342 1.796 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@H]1CCO ZINC000803624467 746127139 /nfs/dbraw/zinc/12/71/39/746127139.db2.gz VLZLILBJLJYSFX-NSHDSACASA-N -1 3 279.336 1.865 10 10 CDCEHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H](C)O1 ZINC000395016780 746520792 /nfs/dbraw/zinc/52/07/92/746520792.db2.gz LVTWKIIAHVMNMJ-MRTMQBJTSA-N -1 3 251.282 1.394 10 10 CDCEHM CCO[N-]C(=O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000846093103 748000633 /nfs/dbraw/zinc/00/06/33/748000633.db2.gz MOFNKFLWZVNSIW-UHFFFAOYSA-N -1 3 272.732 1.511 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCOCC1 ZINC000928707164 749228368 /nfs/dbraw/zinc/22/83/68/749228368.db2.gz BKSOTQWARFWWAB-JTQLQIEISA-N -1 3 267.300 1.964 10 10 CDCEHM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1cccc(O)c1[O-] ZINC001295755506 954740383 /nfs/dbraw/zinc/74/03/83/954740383.db2.gz PAEQUYHEIVSGIU-JQWIXIFHSA-N -1 3 279.336 1.721 10 10 CDCEHM O=C(NC1([C@H]2CCCO2)CCC1)c1cccc(O)c1[O-] ZINC001348792320 966177835 /nfs/dbraw/zinc/17/78/35/966177835.db2.gz DYJFPSMYOJKBRO-GFCCVEGCSA-N -1 3 277.320 1.929 10 10 CDCEHM CC(=O)C(=N[N-]c1cn[nH]c1)C(=O)OC(C)(C)C ZINC000616220958 342186880 /nfs/dbraw/zinc/18/68/80/342186880.db2.gz RIJXCPDUFMYPBQ-SECBINFHSA-N -1 3 252.274 1.793 10 10 CDCEHM [O-]c1ccc(Br)cc1[C@@H](CCO)NO ZINC000308370249 358736728 /nfs/dbraw/zinc/73/67/28/358736728.db2.gz XEBZKSFKXFCOFL-MRVPVSSYSA-N -1 3 262.103 1.557 10 10 CDCEHM O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1cccc(O)c1[O-] ZINC000193140263 373682252 /nfs/dbraw/zinc/68/22/52/373682252.db2.gz HCJJWCNBAUDLIC-GXTWGEPZSA-N -1 3 285.299 1.486 10 10 CDCEHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCN(C)C1=O ZINC000295397963 378672858 /nfs/dbraw/zinc/67/28/58/378672858.db2.gz QJYMPIWYZBEANS-LLVKDONJSA-N -1 3 286.734 1.847 10 10 CDCEHM CCNC(=O)CN(CC)Cc1cccc(F)c1[O-] ZINC000160224625 390945488 /nfs/dbraw/zinc/94/54/88/390945488.db2.gz VEUUNUOLBBUOOS-UHFFFAOYSA-N -1 3 254.305 1.489 10 10 CDCEHM O=C(NC[C@@H]1CCCC[C@@H]1O)c1cccc(O)c1[O-] ZINC000126622228 260354811 /nfs/dbraw/zinc/35/48/11/260354811.db2.gz QIBGZORVRMFESH-ONGXEEELSA-N -1 3 265.309 1.379 10 10 CDCEHM CCn1ncc(CNCc2cc(Cl)cc(OC)c2[O-])n1 ZINC000529640123 271012647 /nfs/dbraw/zinc/01/26/47/271012647.db2.gz UMHQXIAWZMCDJV-UHFFFAOYSA-N -1 3 296.758 1.955 10 10 CDCEHM CC(C)C(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731868436 575068632 /nfs/dbraw/zinc/06/86/32/575068632.db2.gz ZFVXQPGWWJCZTJ-UHFFFAOYSA-N -1 3 282.365 1.394 10 10 CDCEHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc([O-])cs1 ZINC000732273577 575085502 /nfs/dbraw/zinc/08/55/02/575085502.db2.gz YVWGWIODGKERQN-SFYZADRCSA-N -1 3 268.338 1.180 10 10 CDCEHM CC[C@H](C(=O)NCc1c([O-])cccc1F)N1CCCC1=O ZINC000928705217 620504062 /nfs/dbraw/zinc/50/40/62/620504062.db2.gz HQZHIJIDVOLIQG-GFCCVEGCSA-N -1 3 294.326 1.549 10 10 CDCEHM CO[C@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000380782113 1160678925 /nfs/dbraw/zinc/67/89/25/1160678925.db2.gz YVWIZCJQIQVBQZ-IUCAKERBSA-N -1 3 251.282 1.395 10 10 CDCEHM O=S(=O)(CC1CC1)NCc1c([O-])cccc1F ZINC000921452726 751524897 /nfs/dbraw/zinc/52/48/97/751524897.db2.gz XOBRWDJZJOQMCR-UHFFFAOYSA-N -1 3 259.302 1.361 10 10 CDCEHM Cc1nn(C)c(C)c1C(=O)NCc1c([O-])cccc1F ZINC000928709691 750350359 /nfs/dbraw/zinc/35/03/59/750350359.db2.gz LCWDQXDUTBXXGJ-UHFFFAOYSA-N -1 3 277.299 1.812 10 10 CDCEHM O=C(C1CC1)[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000811502162 751105513 /nfs/dbraw/zinc/10/55/13/751105513.db2.gz LWHBMGXACVHPTH-CQSZACIVSA-N -1 3 279.311 1.711 10 10 CDCEHM O=C(NCCCOC(F)F)NCc1c([O-])cccc1F ZINC000922376243 752708431 /nfs/dbraw/zinc/70/84/31/752708431.db2.gz LDMLGUNYZBMAQF-UHFFFAOYSA-N -1 3 292.257 1.960 10 10 CDCEHM [O-]c1c(Br)cccc1CN1CC(CCO)C1 ZINC000839140130 752757006 /nfs/dbraw/zinc/75/70/06/752757006.db2.gz JXQUSCVQPYYQBU-UHFFFAOYSA-N -1 3 286.169 1.969 10 10 CDCEHM Cc1cc([O-])c(CN2C[C@H](CO)O[C@@H](C)C2)c(Cl)c1 ZINC000840941861 753033072 /nfs/dbraw/zinc/03/30/72/753033072.db2.gz OEWVVFOVRMDZGD-WDEREUQCSA-N -1 3 285.771 1.936 10 10 CDCEHM [O-]c1ccc(F)cc1CN1C[C@H](O)CC(F)(F)C1 ZINC000787438866 753378130 /nfs/dbraw/zinc/37/81/30/753378130.db2.gz XMVGYIIWFYYMCK-SNVBAGLBSA-N -1 3 261.243 1.733 10 10 CDCEHM CCO[C@@H]1COC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922774695 753555776 /nfs/dbraw/zinc/55/57/76/753555776.db2.gz GFYQIQITZYBHPX-DGCLKSJQSA-N -1 3 298.314 1.134 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccc(Cl)nn1 ZINC001611666907 1165502873 /nfs/dbraw/zinc/50/28/73/1165502873.db2.gz GXUIIWUZUHXCJX-UHFFFAOYSA-N -1 3 281.674 1.905 10 10 CDCEHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nccn1C ZINC001168613829 919464158 /nfs/dbraw/zinc/46/41/58/919464158.db2.gz QZTPSDNPBGFYET-QMMMGPOBSA-N -1 3 261.281 1.322 10 10 CDCEHM CCc1c(C(=O)NCc2c([O-])cccc2F)cnn1C ZINC000928706125 933172695 /nfs/dbraw/zinc/17/26/95/933172695.db2.gz RFWZUNZMBUMOHC-UHFFFAOYSA-N -1 3 277.299 1.757 10 10 CDCEHM O=C(C[C@@H]1CCCO1)NCc1c([O-])cccc1F ZINC000928712707 933174158 /nfs/dbraw/zinc/17/41/58/933174158.db2.gz WYTPZHXQAAOWBM-VIFPVBQESA-N -1 3 253.273 1.717 10 10 CDCEHM O=C(NC1([C@@H]2CCCO2)CCC1)c1cccc(O)c1[O-] ZINC001348792321 966178455 /nfs/dbraw/zinc/17/84/55/966178455.db2.gz DYJFPSMYOJKBRO-LBPRGKRZSA-N -1 3 277.320 1.929 10 10 CDCEHM CN(C)Cc1nc(CNC(=O)c2cccc(O)c2[O-])co1 ZINC001522328279 970421131 /nfs/dbraw/zinc/42/11/31/970421131.db2.gz XXXUUODFJFPUMV-UHFFFAOYSA-N -1 3 291.307 1.077 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccc(=O)[nH]c1 ZINC001471974832 970524057 /nfs/dbraw/zinc/52/40/57/970524057.db2.gz LMHGNJDYSGYLPK-UHFFFAOYSA-N -1 3 262.240 1.562 10 10 CDCEHM CC[C@@H](O)CN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180164084 357248420 /nfs/dbraw/zinc/24/84/20/357248420.db2.gz WBYRVUBXAZNKRT-CYBMUJFWSA-N -1 3 298.814 1.934 10 10 CDCEHM Cn1cc([C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)cn1 ZINC000193074477 358262851 /nfs/dbraw/zinc/26/28/51/358262851.db2.gz BKDHXKPFGNGIOP-JTQLQIEISA-N -1 3 287.319 1.461 10 10 CDCEHM CCn1ncc(CN[C@H](C)c2cc(F)ccc2[O-])n1 ZINC000527925078 330296271 /nfs/dbraw/zinc/29/62/71/330296271.db2.gz UGYSETBNCOYWEV-SECBINFHSA-N -1 3 264.304 1.994 10 10 CDCEHM CO[C@H](C)c1noc(CN(C)C(=O)c2cc([O-])cs2)n1 ZINC000747943721 576889874 /nfs/dbraw/zinc/88/98/74/576889874.db2.gz IHIBQEFRZQAEOU-SSDOTTSWSA-N -1 3 297.336 1.816 10 10 CDCEHM [O-]c1c(F)cc(F)cc1CN1CC[C@@](O)(C(F)F)C1 ZINC000894889915 619126030 /nfs/dbraw/zinc/12/60/30/619126030.db2.gz WUMCXVUKZOFPRG-LBPRGKRZSA-N -1 3 279.233 1.872 10 10 CDCEHM Cc1cccc(CONC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC001641580669 1167121728 /nfs/dbraw/zinc/12/17/28/1167121728.db2.gz UNMFVSLJYXEPAB-UHFFFAOYSA-N -1 3 288.303 1.971 10 10 CDCEHM Cn1c(=O)cc(NCc2ccc3cccnc3c2[O-])[nH]c1=O ZINC001655585662 1171708185 /nfs/dbraw/zinc/70/81/85/1171708185.db2.gz PCAACZRJDQSWAN-UHFFFAOYSA-N -1 3 298.302 1.352 10 10 CDCEHM COC[C@@H](NC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000921589300 754642563 /nfs/dbraw/zinc/64/25/63/754642563.db2.gz KTGGYIVZKQLZNQ-GFCCVEGCSA-N -1 3 282.315 1.756 10 10 CDCEHM Cc1ccn(C[C@@H](C)C(=O)NCc2c([O-])cccc2F)n1 ZINC000928709548 755185069 /nfs/dbraw/zinc/18/50/69/755185069.db2.gz JLLNJKZMHJDVNV-SNVBAGLBSA-N -1 3 291.326 1.989 10 10 CDCEHM COCc1nn(C)cc1C(=O)NCc1c([O-])cccc1F ZINC000928705326 756396971 /nfs/dbraw/zinc/39/69/71/756396971.db2.gz GRDKXPLYBAVKTI-UHFFFAOYSA-N -1 3 293.298 1.341 10 10 CDCEHM O=C(Nc1nc2cc[nH]cc-2n1)c1cccc(O)c1[O-] ZINC000790911534 756699094 /nfs/dbraw/zinc/69/90/94/756699094.db2.gz RKXNUJYHEOISKJ-UHFFFAOYSA-N -1 3 270.248 1.621 10 10 CDCEHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)C1O ZINC000829282359 757543894 /nfs/dbraw/zinc/54/38/94/757543894.db2.gz YCMYRCBXMYRUKX-IUCAKERBSA-N -1 3 265.309 1.187 10 10 CDCEHM Cn1cncc1CNCc1ccc(F)c(F)c1[O-] ZINC000703418454 757669531 /nfs/dbraw/zinc/66/95/31/757669531.db2.gz YZKLSLSBSKSUBE-UHFFFAOYSA-N -1 3 253.252 1.694 10 10 CDCEHM CCN(CC)C(=O)CNCc1ccc(F)c(F)c1[O-] ZINC000703416332 757771210 /nfs/dbraw/zinc/77/12/10/757771210.db2.gz APYFQHIDGNNWIW-UHFFFAOYSA-N -1 3 272.295 1.628 10 10 CDCEHM O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cccc(O)c1[O-] ZINC000870482726 757855518 /nfs/dbraw/zinc/85/55/18/757855518.db2.gz JKEGJSRSQKEKBJ-LSKVXTQPSA-N -1 3 275.304 1.251 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](C(F)F)CC1 ZINC000687292211 901375979 /nfs/dbraw/zinc/37/59/79/901375979.db2.gz CZWGWWDVLSIHFS-JTQLQIEISA-N -1 3 287.262 1.594 10 10 CDCEHM Cc1cccc(CO[N-]C(=O)Cc2ccc(O)c(O)c2)n1 ZINC001647930907 1169080755 /nfs/dbraw/zinc/08/07/55/1169080755.db2.gz IYFNEXFWQBAYJV-UHFFFAOYSA-N -1 3 288.303 1.592 10 10 CDCEHM O=C([O-])[C@@]1(C[NH2+]Cc2ccccc2[O-])CCCOC1 ZINC001262158602 946475996 /nfs/dbraw/zinc/47/59/96/946475996.db2.gz QPWBPBYEKCFHGT-CQSZACIVSA-N -1 3 265.309 1.363 10 10 CDCEHM NC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1[O-] ZINC000179553797 372993057 /nfs/dbraw/zinc/99/30/57/372993057.db2.gz RJAVZDHOSNDXSW-HNNXBMFYSA-N -1 3 282.343 1.804 10 10 CDCEHM Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)c([O-])c1O ZINC000177670046 391174083 /nfs/dbraw/zinc/17/40/83/391174083.db2.gz BJWPJNWTXJHJCG-KOLCDFICSA-N -1 3 265.309 1.704 10 10 CDCEHM O=C(N[C@H](c1ncccn1)C1CC1)c1cccc(O)c1[O-] ZINC000928581241 619437296 /nfs/dbraw/zinc/43/72/96/619437296.db2.gz MMGQPENQUGFAMX-LBPRGKRZSA-N -1 3 285.303 1.769 10 10 CDCEHM CCN(CC)C(=O)CNC(=O)NCc1c([O-])cccc1F ZINC000914395441 631397998 /nfs/dbraw/zinc/39/79/98/631397998.db2.gz JKFRRPUKMSLUAE-UHFFFAOYSA-N -1 3 297.330 1.199 10 10 CDCEHM C[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921754429 633267818 /nfs/dbraw/zinc/26/78/18/633267818.db2.gz LCHHJONOWWSOON-UWVGGRQHSA-N -1 3 282.315 1.898 10 10 CDCEHM C[C@H]1COCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928707189 768874226 /nfs/dbraw/zinc/87/42/26/768874226.db2.gz BWMOXIITNFUQHC-UWVGGRQHSA-N -1 3 267.300 1.820 10 10 CDCEHM CC(C)N(C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452120 772322183 /nfs/dbraw/zinc/32/21/83/772322183.db2.gz DVZCCBJIDPUJMQ-UHFFFAOYSA-N -1 3 276.333 1.206 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@]3(O)C2)c1[O-] ZINC000880417966 772566056 /nfs/dbraw/zinc/56/60/56/772566056.db2.gz YCWISECYVRRLCE-HZMBPMFUSA-N -1 3 265.284 1.301 10 10 CDCEHM Cc1noc(CCC(=O)NCc2c([O-])cccc2F)n1 ZINC000928710197 772642072 /nfs/dbraw/zinc/64/20/72/772642072.db2.gz PRMCDIMEOPJAMR-UHFFFAOYSA-N -1 3 279.271 1.472 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccc(CO)cc1 ZINC001645047882 1167361337 /nfs/dbraw/zinc/36/13/37/1167361337.db2.gz BORGCXVJIYRRLI-UHFFFAOYSA-N -1 3 275.279 1.954 10 10 CDCEHM CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC001294336753 954493844 /nfs/dbraw/zinc/49/38/44/954493844.db2.gz KGUSSGMCDYHCDD-GFCCVEGCSA-N -1 3 295.335 1.805 10 10 CDCEHM CO[C@@H]1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC001332784780 957836025 /nfs/dbraw/zinc/83/60/25/957836025.db2.gz XGPOIWZRVYDXLP-NXEZZACHSA-N -1 3 282.315 1.898 10 10 CDCEHM CC(C)(C)[C@H](NC(N)=O)C(=O)NCc1c([O-])cccc1F ZINC001471975643 970526511 /nfs/dbraw/zinc/52/65/11/970526511.db2.gz BGXDHTUBXNRLGO-LLVKDONJSA-N -1 3 297.330 1.231 10 10 CDCEHM COC(=O)[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000267459444 363827022 /nfs/dbraw/zinc/82/70/22/363827022.db2.gz QXCQNHIUPNIPGM-JTQLQIEISA-N -1 3 295.310 1.729 10 10 CDCEHM CN1CCO[C@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000190960405 373427382 /nfs/dbraw/zinc/42/73/82/373427382.db2.gz ICZLDLACIILEHE-SECBINFHSA-N -1 3 288.750 1.605 10 10 CDCEHM CNC(=O)[C@@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000160224327 261208442 /nfs/dbraw/zinc/20/84/42/261208442.db2.gz KBKPTUZXPNMKKT-NSHDSACASA-N -1 3 252.289 1.242 10 10 CDCEHM Cc1ccc(C(=O)NC(C)(C)[C@@H](C)O)c([O-])c1O ZINC000272817237 263009066 /nfs/dbraw/zinc/00/90/66/263009066.db2.gz MRSYIJQWZPCONK-MRVPVSSYSA-N -1 3 253.298 1.295 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000530064234 271093539 /nfs/dbraw/zinc/09/35/39/271093539.db2.gz GIRPPGFMDDGIQE-ARNPGYACSA-N -1 3 295.360 1.223 10 10 CDCEHM COCCCOC1CN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000770501429 575456975 /nfs/dbraw/zinc/45/69/75/575456975.db2.gz GMLCGUNFAKWNIW-UHFFFAOYSA-N -1 3 295.335 1.284 10 10 CDCEHM Cc1nnsc1CNC(=O)NCc1c([O-])cccc1F ZINC000922584589 618270284 /nfs/dbraw/zinc/27/02/84/618270284.db2.gz DGKXUXVPHCCHQN-UHFFFAOYSA-N -1 3 296.327 1.691 10 10 CDCEHM CC(C)C[C@H](C(N)=O)C(=O)NCc1c([O-])cccc1F ZINC000928706830 620505115 /nfs/dbraw/zinc/50/51/15/620505115.db2.gz VYBBUVJZMMSQMD-SECBINFHSA-N -1 3 282.315 1.295 10 10 CDCEHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)C1=CC(=O)CS1 ZINC001644273238 1167303282 /nfs/dbraw/zinc/30/32/82/1167303282.db2.gz SPOLNFYPNCDUKW-UHFFFAOYSA-N -1 3 283.334 1.168 10 10 CDCEHM CC[C@@H](NCc1cn(C)nn1)c1ccc(F)cc1[O-] ZINC000796938639 774295510 /nfs/dbraw/zinc/29/55/10/774295510.db2.gz QRADQQSWHROKSZ-GFCCVEGCSA-N -1 3 264.304 1.901 10 10 CDCEHM O=C(NC[C@H]1CCC2(CCC2)O1)c1cccc(O)c1[O-] ZINC000711415105 775727708 /nfs/dbraw/zinc/72/77/08/775727708.db2.gz OAPPLRDRSBNKFQ-SNVBAGLBSA-N -1 3 277.320 1.929 10 10 CDCEHM O=C(CCOC[C@H]1CCCO1)NCc1c([O-])cccc1F ZINC000928712573 775843221 /nfs/dbraw/zinc/84/32/21/775843221.db2.gz TVZCNPATWATLRE-LLVKDONJSA-N -1 3 297.326 1.733 10 10 CDCEHM C[C@@](O)(CC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000928705599 776825651 /nfs/dbraw/zinc/82/56/51/776825651.db2.gz LURUYVIWNXBDMQ-CQSZACIVSA-N -1 3 267.300 1.699 10 10 CDCEHM CCON(CC)C(=O)CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000858219522 779325049 /nfs/dbraw/zinc/32/50/49/779325049.db2.gz QVFJIUAJOGFMNL-UHFFFAOYSA-N -1 3 297.311 1.190 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCn2ccnc21 ZINC000922655130 779561621 /nfs/dbraw/zinc/56/16/21/779561621.db2.gz MGMTVVLPAXRNRI-LLVKDONJSA-N -1 3 290.298 1.672 10 10 CDCEHM Cc1nc([C@H](C)NCc2ccc(F)c(F)c2[O-])n[nH]1 ZINC000703286364 922683581 /nfs/dbraw/zinc/68/35/81/922683581.db2.gz PHGHZKXGXDPKJN-LURJTMIESA-N -1 3 268.267 1.948 10 10 CDCEHM Cn1ncc(CNCc2ccc(Br)cc2[O-])n1 ZINC000691501435 929066592 /nfs/dbraw/zinc/06/65/92/929066592.db2.gz OCPUYZIXOVTESE-UHFFFAOYSA-N -1 3 297.156 1.573 10 10 CDCEHM CC1(C)CCN(C(=O)c2cccc(O)c2[O-])CC[S@]1=O ZINC000322034789 941882000 /nfs/dbraw/zinc/88/20/00/941882000.db2.gz LNCCFQAEOLDEBH-HXUWFJFHSA-N -1 3 297.376 1.471 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cscn1 ZINC001456100430 968864180 /nfs/dbraw/zinc/86/41/80/968864180.db2.gz RVXMZBDYZJMEGT-UHFFFAOYSA-N -1 3 252.270 1.918 10 10 CDCEHM COc1ccc2c(c1O)C(=O)c1cccc([O-])c1C2=O ZINC000014775096 366179638 /nfs/dbraw/zinc/17/96/38/366179638.db2.gz MLRVMLYPPNNGOK-UHFFFAOYSA-N -1 3 270.240 1.882 10 10 CDCEHM Cc1cc(Cl)cc(CN(C)CCS(C)(=O)=O)c1[O-] ZINC000179706132 357221955 /nfs/dbraw/zinc/22/19/55/357221955.db2.gz CZVYJXUBXDLXCS-UHFFFAOYSA-N -1 3 291.800 1.830 10 10 CDCEHM Cc1ccc(C(=O)NC[C@H](O)C(C)C)c([O-])c1O ZINC000182622688 357442867 /nfs/dbraw/zinc/44/28/67/357442867.db2.gz ZCGHPVNFJHTVRG-JTQLQIEISA-N -1 3 253.298 1.153 10 10 CDCEHM CC[C@@H](CO)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271196235 364970800 /nfs/dbraw/zinc/97/08/00/364970800.db2.gz TUTBOEXNBHVPMQ-LBPRGKRZSA-N -1 3 298.814 1.934 10 10 CDCEHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CC(=O)N1C ZINC000282764210 368025919 /nfs/dbraw/zinc/02/59/19/368025919.db2.gz OZSABHGQPFIQQN-VIFPVBQESA-N -1 3 268.744 1.708 10 10 CDCEHM O=C(N[C@@H]1COc2ccccc21)c1cccc(O)c1[O-] ZINC000126431935 260351679 /nfs/dbraw/zinc/35/16/79/260351679.db2.gz PAFGAVCUIHYQMP-LLVKDONJSA-N -1 3 271.272 1.961 10 10 CDCEHM C[C@@H](NCc1cccc(F)c1[O-])C(=O)NC(C)(C)C ZINC000135888287 264638871 /nfs/dbraw/zinc/63/88/71/264638871.db2.gz AAVISOIRFMNACU-SECBINFHSA-N -1 3 268.332 1.924 10 10 CDCEHM CNC(=O)[C@H]1CN(Cc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000182438069 329239560 /nfs/dbraw/zinc/23/95/60/329239560.db2.gz DSCIGRQMGDSPJN-GFCCVEGCSA-N -1 3 298.770 1.301 10 10 CDCEHM CN(OCC(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000530259399 333530721 /nfs/dbraw/zinc/53/07/21/333530721.db2.gz YEWJIXRPESALBB-UHFFFAOYSA-N -1 3 265.187 1.664 10 10 CDCEHM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1O ZINC000280043635 518942675 /nfs/dbraw/zinc/94/26/75/518942675.db2.gz ZPTHBBPPHQFKEL-YPMHNXCESA-N -1 3 293.363 1.967 10 10 CDCEHM C[C@H]1CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000804854962 617384445 /nfs/dbraw/zinc/38/44/45/617384445.db2.gz MPEYMUQIDJVDQX-KWQFWETISA-N -1 3 298.364 1.292 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000899627377 622335286 /nfs/dbraw/zinc/33/52/86/622335286.db2.gz NQMXOXYEBUZUNP-MFKMUULPSA-N -1 3 277.320 1.739 10 10 CDCEHM CC[C@](C)(CC(=O)OC)NC(=O)c1cccc(O)c1[O-] ZINC001635054681 1166558012 /nfs/dbraw/zinc/55/80/12/1166558012.db2.gz LDRFTGXYMSMYMW-CQSZACIVSA-N -1 3 281.308 1.559 10 10 CDCEHM Cc1cc(CNC(=O)NCc2c([O-])cccc2F)ncn1 ZINC001685980972 1174695003 /nfs/dbraw/zinc/69/50/03/1174695003.db2.gz MDZSEKMVOUEYGD-UHFFFAOYSA-N -1 3 290.298 1.629 10 10 CDCEHM CCN(C[C@@H]1CCCO1)C(=O)c1cccc(O)c1[O-] ZINC000126287215 1175450422 /nfs/dbraw/zinc/45/04/22/1175450422.db2.gz HNEKGRUDACMCCO-JTQLQIEISA-N -1 3 265.309 1.739 10 10 CDCEHM C[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)[C@H](C)O1 ZINC000923614475 1165101868 /nfs/dbraw/zinc/10/18/68/1165101868.db2.gz JRMATIFXGHRRDL-VDDIYKPWSA-N -1 3 282.315 1.896 10 10 CDCEHM C[C@@H](O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000840979196 782852595 /nfs/dbraw/zinc/85/25/95/782852595.db2.gz ZHIGTUYIYIMFBH-RNCFNFMXSA-N -1 3 271.744 1.627 10 10 CDCEHM CC[C@H](CNC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000844022977 782911043 /nfs/dbraw/zinc/91/10/43/782911043.db2.gz GERUZBFBXRSWTD-MRVPVSSYSA-N -1 3 267.281 1.027 10 10 CDCEHM Cc1ccc(C(=O)Nc2nnn(C)c2C(F)F)c([O-])c1O ZINC001646387791 1167836304 /nfs/dbraw/zinc/83/63/04/1167836304.db2.gz VYQGENJGACHTEK-UHFFFAOYSA-N -1 3 298.249 1.725 10 10 CDCEHM COc1cccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000706651644 895640415 /nfs/dbraw/zinc/64/04/15/895640415.db2.gz ARBBMVDHAGBREU-UHFFFAOYSA-N -1 3 260.249 1.754 10 10 CDCEHM Cn1nccc1[C@@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000839178042 905088797 /nfs/dbraw/zinc/08/87/97/905088797.db2.gz AFZRIMMYSHBAGL-SNVBAGLBSA-N -1 3 299.733 1.741 10 10 CDCEHM CC1(C)OC[C@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000921898904 921063898 /nfs/dbraw/zinc/06/38/98/921063898.db2.gz IVXINAYHBSSRPM-VIFPVBQESA-N -1 3 298.314 1.482 10 10 CDCEHM COC(=O)[C@@]1(OC)CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000862475218 929418934 /nfs/dbraw/zinc/41/89/34/929418934.db2.gz CYHBJPREWDXVIA-CQSZACIVSA-N -1 3 299.754 1.810 10 10 CDCEHM Cc1ccc(C(=O)N2CCCCCO2)c([O-])c1O ZINC000788571204 929556485 /nfs/dbraw/zinc/55/64/85/929556485.db2.gz PXUFQYPQWVGCDO-UHFFFAOYSA-N -1 3 251.282 1.964 10 10 CDCEHM COC[C@]1(C(=O)NCc2c([O-])cccc2F)CCOC1 ZINC000928706614 933174214 /nfs/dbraw/zinc/17/42/14/933174214.db2.gz SAMRRXIXXISIJF-CQSZACIVSA-N -1 3 283.299 1.201 10 10 CDCEHM O=C(CC1CSC1)NCc1c([O-])cccc1F ZINC000928707022 933174448 /nfs/dbraw/zinc/17/44/48/933174448.db2.gz ZUEJQPPYKKVEMI-UHFFFAOYSA-N -1 3 255.314 1.901 10 10 CDCEHM COCC1(C(=O)NCc2c([O-])cccc2F)CCC1 ZINC000928707133 933174622 /nfs/dbraw/zinc/17/46/22/933174622.db2.gz ATNGSVHPNVDNAJ-UHFFFAOYSA-N -1 3 267.300 1.964 10 10 CDCEHM COC(=O)CCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC001542955994 967255984 /nfs/dbraw/zinc/25/59/84/967255984.db2.gz HHCMQMLGUFYFLF-UHFFFAOYSA-N -1 3 281.308 1.559 10 10 CDCEHM C[C@H](NCc1ccnn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273419053 365494451 /nfs/dbraw/zinc/49/44/51/365494451.db2.gz RRQGRKCQXWELDS-VIFPVBQESA-N -1 3 276.296 1.885 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@](O)(C(F)(F)F)C1 ZINC000185717342 262307624 /nfs/dbraw/zinc/30/76/24/262307624.db2.gz OAVBGGPUDQXZBA-NSHDSACASA-N -1 3 291.225 1.237 10 10 CDCEHM C[C@@H]1CN(CCO)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894957521 619159716 /nfs/dbraw/zinc/15/97/16/619159716.db2.gz MFANMZLLKQEEMZ-SNVBAGLBSA-N -1 3 286.322 1.169 10 10 CDCEHM COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(F)ccc1[O-] ZINC000895866576 619881071 /nfs/dbraw/zinc/88/10/71/619881071.db2.gz XXEPYELHOHFIJW-CHWSQXEVSA-N -1 3 297.326 1.732 10 10 CDCEHM CO[C@@H](C(=O)NCc1c([O-])cccc1F)c1cnn(C)c1 ZINC000928707783 620505209 /nfs/dbraw/zinc/50/52/09/620505209.db2.gz IDALECQEHMFGGA-CYBMUJFWSA-N -1 3 293.298 1.269 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cn(C2CCC2)nn1 ZINC000928706832 620505398 /nfs/dbraw/zinc/50/53/98/620505398.db2.gz VYSXINKVBKRSDW-UHFFFAOYSA-N -1 3 290.298 1.778 10 10 CDCEHM CCn1ncc(NC(=O)c2cccc(O)c2[O-])c1C ZINC001643973224 1167286386 /nfs/dbraw/zinc/28/63/86/1167286386.db2.gz IPJHWZQQBQHXAQ-UHFFFAOYSA-N -1 3 261.281 1.875 10 10 CDCEHM CNc1ncc(C(=O)NCc2c([O-])cccc2F)s1 ZINC001646035267 1167618165 /nfs/dbraw/zinc/61/81/65/1167618165.db2.gz UZNUTJAPXDXJKV-UHFFFAOYSA-N -1 3 281.312 1.960 10 10 CDCEHM C[C@H]1CN(C2CC2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000402920909 1186458480 /nfs/dbraw/zinc/45/84/80/1186458480.db2.gz YXZVFFROUGYSRG-JTQLQIEISA-N -1 3 276.336 1.407 10 10 CDCEHM C[C@]1(C2CC2)CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000694886762 898765674 /nfs/dbraw/zinc/76/56/74/898765674.db2.gz GIWGKKPTUPZHNF-OAHLLOKOSA-N -1 3 277.320 1.739 10 10 CDCEHM COC(C)(C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452647 914936437 /nfs/dbraw/zinc/93/64/37/914936437.db2.gz VEUHQMWFFSHNHP-UHFFFAOYSA-N -1 3 291.344 1.376 10 10 CDCEHM CC(=O)NCCN(C)Cc1c([O-])cc(C)cc1Cl ZINC000843427567 923373413 /nfs/dbraw/zinc/37/34/13/923373413.db2.gz HFWXRNZMEXLBQD-UHFFFAOYSA-N -1 3 270.760 1.922 10 10 CDCEHM Cc1cc([O-])c(CN2CCS(=O)(=O)CC2)c(Cl)c1 ZINC000840913932 936968196 /nfs/dbraw/zinc/96/81/96/936968196.db2.gz NFJSFSNXDJYMLB-UHFFFAOYSA-N -1 3 289.784 1.584 10 10 CDCEHM CCN(OC)C(=O)CNCc1cc(Cl)cc(F)c1[O-] ZINC000843430519 937149475 /nfs/dbraw/zinc/14/94/75/937149475.db2.gz LUFBMWHGVHNCPX-UHFFFAOYSA-N -1 3 290.722 1.684 10 10 CDCEHM O=c1[nH]nc2n1CCN(Cc1cccc(Cl)c1[O-])C2 ZINC000776521680 927539670 /nfs/dbraw/zinc/53/96/70/927539670.db2.gz XVFFBOUFZQOVAU-UHFFFAOYSA-N -1 3 280.715 1.359 10 10 CDCEHM [O-]c1c(F)cc(Cl)cc1CN1CCOC2(CNC2)C1 ZINC000853249132 927994039 /nfs/dbraw/zinc/99/40/39/927994039.db2.gz NKABGDXAOHWIBI-UHFFFAOYSA-N -1 3 286.734 1.359 10 10 CDCEHM COC(=O)NC1CN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC001118010732 937579783 /nfs/dbraw/zinc/57/97/83/937579783.db2.gz DYJGZALQPJNYOQ-UHFFFAOYSA-N -1 3 284.743 1.894 10 10 CDCEHM CON1CCC(CC(=O)NCc2c([O-])cccc2F)CC1 ZINC000928705317 933172876 /nfs/dbraw/zinc/17/28/76/933172876.db2.gz GIOWZRZQZDYAOR-UHFFFAOYSA-N -1 3 296.342 1.811 10 10 CDCEHM CCOCCCC(=O)NCc1c([O-])cccc1F ZINC000928711636 933174351 /nfs/dbraw/zinc/17/43/51/933174351.db2.gz KEZIPBJCUUIZFN-UHFFFAOYSA-N -1 3 255.289 1.964 10 10 CDCEHM CC(=O)CCCC(=O)NCc1c([O-])cccc1F ZINC000928709666 933174719 /nfs/dbraw/zinc/17/47/19/933174719.db2.gz KRFAQWUTUKCCTI-UHFFFAOYSA-N -1 3 253.273 1.907 10 10 CDCEHM [O-]c1ccc(F)cc1CN1CCO[C@H](C(F)F)C1 ZINC000802654563 936055686 /nfs/dbraw/zinc/05/56/86/936055686.db2.gz XWDPHYKHUBZHMX-NSHDSACASA-N -1 3 261.243 1.997 10 10 CDCEHM Cc1cc(Cl)cc(CN2CCN(C[C@H](C)O)CC2)c1[O-] ZINC000189847257 358042646 /nfs/dbraw/zinc/04/26/46/358042646.db2.gz CEQMBKKANJJGFT-LBPRGKRZSA-N -1 3 298.814 1.852 10 10 CDCEHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cn[nH]c1 ZINC000270256293 364521640 /nfs/dbraw/zinc/52/16/40/364521640.db2.gz VFMMJMSYEAXONW-QMMMGPOBSA-N -1 3 262.269 1.874 10 10 CDCEHM Cn1cc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])cn1 ZINC000187072852 527298005 /nfs/dbraw/zinc/29/80/05/527298005.db2.gz FFCUCPWUYFASSB-LBPRGKRZSA-N -1 3 287.319 1.809 10 10 CDCEHM O=C1CN(Cc2c([O-])ccc3ccncc32)CCN1C1CC1 ZINC000748264168 576903554 /nfs/dbraw/zinc/90/35/54/576903554.db2.gz OFTDALGOZPKWBS-UHFFFAOYSA-N -1 3 297.358 1.747 10 10 CDCEHM [O-]c1cccc(F)c1CNC(=S)NC[C@@H]1CCCO1 ZINC000905659774 626904800 /nfs/dbraw/zinc/90/48/00/626904800.db2.gz BODLMGFWDJRXGO-VIFPVBQESA-N -1 3 284.356 1.674 10 10 CDCEHM CCN(C[C@H]1CCCO1)C(=O)c1cccc(O)c1[O-] ZINC000126287440 1175450664 /nfs/dbraw/zinc/45/06/64/1175450664.db2.gz HNEKGRUDACMCCO-SNVBAGLBSA-N -1 3 265.309 1.739 10 10 CDCEHM C/C=C\C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OCC ZINC001632615331 1166363473 /nfs/dbraw/zinc/36/34/73/1166363473.db2.gz MHUJSGFCCAWJJN-MZBZXASESA-N -1 3 293.319 1.726 10 10 CDCEHM O=C(Nc1cc(CO)cc(CO)c1)c1cccc(O)c1[O-] ZINC001642554082 1167181227 /nfs/dbraw/zinc/18/12/27/1167181227.db2.gz WWAQQVSYSQEQFL-UHFFFAOYSA-N -1 3 289.287 1.335 10 10 CDCEHM Cc1nnc([C@@H](C)NCc2cccc(F)c2[O-])[nH]1 ZINC000392471673 1187281286 /nfs/dbraw/zinc/28/12/86/1187281286.db2.gz UHWZAVYRNRXUNM-SSDOTTSWSA-N -1 3 250.277 1.809 10 10 CDCEHM Cn1cc(CNCc2c([O-])cccc2Cl)nn1 ZINC000389824407 783674170 /nfs/dbraw/zinc/67/41/70/783674170.db2.gz OEQCZWFOXPXKJO-UHFFFAOYSA-N -1 3 252.705 1.464 10 10 CDCEHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1F ZINC000790921292 783619386 /nfs/dbraw/zinc/61/93/86/783619386.db2.gz FFQNXWRTESKXBL-PSASIEDQSA-N -1 3 253.273 1.918 10 10 CDCEHM CC[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000817644475 784219022 /nfs/dbraw/zinc/21/90/22/784219022.db2.gz WGUMMCJHDHMDOK-NXEZZACHSA-N -1 3 265.309 1.785 10 10 CDCEHM CC(C)(C)[C@@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928704542 786255413 /nfs/dbraw/zinc/25/54/13/786255413.db2.gz BKTWVSNXTJRDSY-NSHDSACASA-N -1 3 255.289 1.555 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@@H]([C@H](C)O)C2)cc1Cl ZINC000826123435 786265479 /nfs/dbraw/zinc/26/54/79/786265479.db2.gz NPSMIETZGGRGNT-IINYFYTJSA-N -1 3 285.771 1.936 10 10 CDCEHM O=C(CN1CCSC1=O)NCc1c([O-])cccc1F ZINC000928710245 787385966 /nfs/dbraw/zinc/38/59/66/787385966.db2.gz REULVANXFOKIPV-UHFFFAOYSA-N -1 3 284.312 1.316 10 10 CDCEHM CCOC(=O)C12CC(C1)CN2C(=O)c1cccc(O)c1[O-] ZINC000856250460 788859036 /nfs/dbraw/zinc/85/90/36/788859036.db2.gz PTLCBQBDRFMHGR-UHFFFAOYSA-N -1 3 291.303 1.266 10 10 CDCEHM C[C@@H](C[S@@](C)=O)N(C)Cc1cccc(F)c1[O-] ZINC000399868422 897108040 /nfs/dbraw/zinc/10/80/40/897108040.db2.gz PCDVMPJAWQKCFR-HUTHGQBESA-N -1 3 259.346 1.730 10 10 CDCEHM Cc1cncc(CCNC(=O)c2cccc(O)c2[O-])n1 ZINC001147588217 932549967 /nfs/dbraw/zinc/54/99/67/932549967.db2.gz LEQQRENPMGUWOE-UHFFFAOYSA-N -1 3 273.292 1.169 10 10 CDCEHM COc1cc(NC(=O)c2cccc(O)c2[O-])ccn1 ZINC000382051580 943926810 /nfs/dbraw/zinc/92/68/10/943926810.db2.gz ACXDGTNLARNZIL-UHFFFAOYSA-N -1 3 260.249 1.754 10 10 CDCEHM O=C(NCc1ccc2cccnc2c1O)c1cnncc1[O-] ZINC001557124089 965148499 /nfs/dbraw/zinc/14/84/99/965148499.db2.gz UZRDXMMOIZGXPM-UHFFFAOYSA-N -1 3 296.286 1.366 10 10 CDCEHM O=C(Nc1cnc2ccccn12)c1cccc(O)c1[O-] ZINC001452962500 968213303 /nfs/dbraw/zinc/21/33/03/968213303.db2.gz CONXEUZVZJDXRI-UHFFFAOYSA-N -1 3 269.260 1.998 10 10 CDCEHM Cc1ccc(C(=O)N2CCOCC[C@H]2C)c([O-])c1O ZINC000373317425 391115475 /nfs/dbraw/zinc/11/54/75/391115475.db2.gz MFOXVFQIGKKDNL-SNVBAGLBSA-N -1 3 265.309 1.657 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCN2CCCC[C@H]2C1 ZINC000126479695 260353588 /nfs/dbraw/zinc/35/35/88/260353588.db2.gz GMKMFGODBFRJPH-NSHDSACASA-N -1 3 276.336 1.408 10 10 CDCEHM COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1cc(F)ccc1[O-] ZINC000180150067 329217967 /nfs/dbraw/zinc/21/79/67/329217967.db2.gz QOMRGEQNFAYEAM-NEPJUHHUSA-N -1 3 283.299 1.294 10 10 CDCEHM COc1c([O-])c(CN(C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000278214721 521870503 /nfs/dbraw/zinc/87/05/03/521870503.db2.gz KSBRHRGHPKCLBG-SNVBAGLBSA-N -1 3 282.296 1.530 10 10 CDCEHM CS(=O)(=O)C1(CNCc2cccc(F)c2[O-])CC1 ZINC000279658733 525099236 /nfs/dbraw/zinc/09/92/36/525099236.db2.gz GATPEHCYFKBQQU-UHFFFAOYSA-N -1 3 273.329 1.198 10 10 CDCEHM COC(=O)/C(C)=C\COC(=O)c1cc([O-])cs1 ZINC000748191942 576900800 /nfs/dbraw/zinc/90/08/00/576900800.db2.gz UHFYHXYRORGUDS-CLTKARDFSA-N -1 3 256.279 1.730 10 10 CDCEHM C[C@@H](N[C@H]1CCCNC1=O)c1cc(F)cc(F)c1[O-] ZINC000756511677 576992890 /nfs/dbraw/zinc/99/28/90/576992890.db2.gz ZNJRJXFWCURGQA-HQJQHLMTSA-N -1 3 270.279 1.600 10 10 CDCEHM C[C@@H]1C[C@H](NCc2cn(C)nn2)c2c1c(F)ccc2[O-] ZINC000757654284 577048530 /nfs/dbraw/zinc/04/85/30/577048530.db2.gz DIKURFAPAILMFX-KCJUWKMLSA-N -1 3 276.315 1.998 10 10 CDCEHM O=C(C[C@@H]1CCCC(=O)N1)NCc1c([O-])cccc1F ZINC000928706307 620505435 /nfs/dbraw/zinc/50/54/35/620505435.db2.gz QMVXQSRRKRHEOZ-VIFPVBQESA-N -1 3 280.299 1.206 10 10 CDCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccnn1C ZINC000923940338 622014454 /nfs/dbraw/zinc/01/44/54/622014454.db2.gz WUUQJLLLMRHBQS-VIFPVBQESA-N -1 3 292.314 1.825 10 10 CDCEHM C/C=C/C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OCC ZINC001632615330 1166363038 /nfs/dbraw/zinc/36/30/38/1166363038.db2.gz MHUJSGFCCAWJJN-JOAKQRRISA-N -1 3 293.319 1.726 10 10 CDCEHM C[C@@H](Cc1cccnc1)NC(=O)c1cccc(O)c1[O-] ZINC001647839993 1169064295 /nfs/dbraw/zinc/06/42/95/1169064295.db2.gz USOFMPPJYZYUGZ-JTQLQIEISA-N -1 3 272.304 1.854 10 10 CDCEHM CC1(C(N)=O)CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843415934 790310850 /nfs/dbraw/zinc/31/08/50/790310850.db2.gz NJFDOUJESDLEPF-UHFFFAOYSA-N -1 3 272.707 1.492 10 10 CDCEHM CCCC[C@](C)(CO)NC(=O)c1cccc(O)c1[O-] ZINC000844017461 789855890 /nfs/dbraw/zinc/85/58/90/789855890.db2.gz GKCXPCYZHOWEFO-CQSZACIVSA-N -1 3 267.325 1.769 10 10 CDCEHM COc1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2)cc1C ZINC000841807313 789883527 /nfs/dbraw/zinc/88/35/27/789883527.db2.gz QCSUADCAROXNGN-AWEZNQCLSA-N -1 3 289.335 1.653 10 10 CDCEHM C[C@@H]1C[C@@H](C(=O)NCc2c([O-])cccc2F)[C@@H](C)O1 ZINC000928707822 791518995 /nfs/dbraw/zinc/51/89/95/791518995.db2.gz CJQPOFRAFQJNHQ-OPRDCNLKSA-N -1 3 267.300 1.961 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](OC(F)F)C1 ZINC000790928172 792659923 /nfs/dbraw/zinc/65/99/23/792659923.db2.gz PBDVSJDVZXKWPN-MRVPVSSYSA-N -1 3 287.262 1.942 10 10 CDCEHM CCN(C(=O)c1cccc(O)c1[O-])[C@H]1CCOC1 ZINC000311181393 795407577 /nfs/dbraw/zinc/40/75/77/795407577.db2.gz YUQQDKQRSGCHMM-VIFPVBQESA-N -1 3 251.282 1.349 10 10 CDCEHM CC(C)(CNC(=O)c1cccc(O)c1[O-])n1ccnc1 ZINC000692571329 899639819 /nfs/dbraw/zinc/63/98/19/899639819.db2.gz FYUVSKGVCFSHJX-UHFFFAOYSA-N -1 3 275.308 1.459 10 10 CDCEHM Nc1nc(Cl)c(N)c(NCc2c([O-])cccc2F)n1 ZINC001458616197 969320447 /nfs/dbraw/zinc/32/04/47/969320447.db2.gz FPAGSVGQFWFMIN-UHFFFAOYSA-N -1 3 283.694 1.751 10 10 CDCEHM CO[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CC[C@@H]1C ZINC000187924667 357823373 /nfs/dbraw/zinc/82/33/73/357823373.db2.gz BQQBUDZXSKEGDI-JOYOIKCWSA-N -1 3 279.336 1.903 10 10 CDCEHM COC(=O)[C@H](NO)c1cc(Br)ccc1[O-] ZINC000308760812 358885515 /nfs/dbraw/zinc/88/55/15/358885515.db2.gz LRXBIPFIXQZJBK-MRVPVSSYSA-N -1 3 276.086 1.348 10 10 CDCEHM CCn1ncc(CNCc2cc(F)ccc2[O-])n1 ZINC000529638556 368085815 /nfs/dbraw/zinc/08/58/15/368085815.db2.gz KCTYRAWECNAULB-UHFFFAOYSA-N -1 3 250.277 1.433 10 10 CDCEHM CCOC(=O)[C@@H](C)N[C@H](C)c1ccc(O)cc1[O-] ZINC000049367891 521029205 /nfs/dbraw/zinc/02/92/05/521029205.db2.gz AYLVGIJWKHLLOE-RKDXNWHRSA-N -1 3 253.298 1.700 10 10 CDCEHM O=C(CNC(=O)c1cc([O-])cs1)NC1CCCCC1 ZINC000732279531 575086433 /nfs/dbraw/zinc/08/64/33/575086433.db2.gz UBODPXJBLSFVIC-UHFFFAOYSA-N -1 3 282.365 1.632 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1(O)CCCCC1 ZINC000928705896 620504707 /nfs/dbraw/zinc/50/47/07/620504707.db2.gz OTAKHJJXGNYYAN-UHFFFAOYSA-N -1 3 267.300 1.843 10 10 CDCEHM COC1(C(=O)NCc2c([O-])cccc2F)CCOCC1 ZINC000928707457 620505847 /nfs/dbraw/zinc/50/58/47/620505847.db2.gz DTVPUWUDSWCDSY-UHFFFAOYSA-N -1 3 283.299 1.343 10 10 CDCEHM CCOC(=O)[C@H](C(=O)NCc1c([O-])cccc1F)C(C)C ZINC000928710238 620506526 /nfs/dbraw/zinc/50/65/26/620506526.db2.gz QWJFFWDUZHGQGY-ZDUSSCGKSA-N -1 3 297.326 1.983 10 10 CDCEHM COC(=O)CCCCNC(=O)NCc1c([O-])cccc1F ZINC000914420136 631421980 /nfs/dbraw/zinc/42/19/80/631421980.db2.gz YWSLBAPXOKKLQX-UHFFFAOYSA-N -1 3 298.314 1.674 10 10 CDCEHM COCC[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000915845253 631836593 /nfs/dbraw/zinc/83/65/93/631836593.db2.gz DIBGLHREHALJQP-VIFPVBQESA-N -1 3 270.304 1.756 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccc[n+]([O-])c1 ZINC001596906965 1174248747 /nfs/dbraw/zinc/24/87/47/1174248747.db2.gz NTMLBLDQXCUSCW-UHFFFAOYSA-N -1 3 262.240 1.095 10 10 CDCEHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)O1 ZINC000395016778 936690244 /nfs/dbraw/zinc/69/02/44/936690244.db2.gz LVTWKIIAHVMNMJ-KHQFGBGNSA-N -1 3 251.282 1.394 10 10 CDCEHM CN(C)C(=O)C1(NCc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000839632920 936917187 /nfs/dbraw/zinc/91/71/87/936917187.db2.gz KMWSFTOGQVSKNT-UHFFFAOYSA-N -1 3 279.296 1.011 10 10 CDCEHM COC(=O)C1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928708550 933174596 /nfs/dbraw/zinc/17/45/96/933174596.db2.gz OSHIWLFOFCJUQC-UHFFFAOYSA-N -1 3 267.256 1.101 10 10 CDCEHM Cc1c(CC(=O)NCc2c([O-])cccc2F)cnn1C ZINC000928706878 933174661 /nfs/dbraw/zinc/17/46/61/933174661.db2.gz YFFHGURUNXEMKF-UHFFFAOYSA-N -1 3 277.299 1.432 10 10 CDCEHM COc1ccc(C(=O)NCc2c([O-])cccc2F)nn1 ZINC001456029959 968850692 /nfs/dbraw/zinc/85/06/92/968850692.db2.gz PDTZVMOKAUKFLM-UHFFFAOYSA-N -1 3 277.255 1.260 10 10 CDCEHM Cn1cnc2c1ncnc2NCc1c([O-])cccc1F ZINC001651438235 1171324427 /nfs/dbraw/zinc/32/44/27/1171324427.db2.gz GJAZNIRCBQCDLE-UHFFFAOYSA-N -1 3 273.271 1.820 10 10 CDCEHM CCCN(CC(=O)N(C)C)Cc1cccc(F)c1[O-] ZINC000160225389 362405606 /nfs/dbraw/zinc/40/56/06/362405606.db2.gz QGRZQFGJCCUDMB-UHFFFAOYSA-N -1 3 268.332 1.832 10 10 CDCEHM C[C@@H]1COC[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000185718335 357569732 /nfs/dbraw/zinc/56/97/32/357569732.db2.gz MGTZULJVLVADNK-DTORHVGOSA-N -1 3 251.282 1.347 10 10 CDCEHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C(N)=O)O1 ZINC000092006644 360261504 /nfs/dbraw/zinc/26/15/04/360261504.db2.gz LCRHGJJZGLFFQY-PRHODGIISA-N -1 3 284.743 1.120 10 10 CDCEHM CC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000272777669 365392879 /nfs/dbraw/zinc/39/28/79/365392879.db2.gz UIKNSBFISCOBQF-SECBINFHSA-N -1 3 267.281 1.088 10 10 CDCEHM Cc1noc([C@H]2COCCN2Cc2cc(F)ccc2[O-])n1 ZINC000188479516 329369188 /nfs/dbraw/zinc/36/91/88/329369188.db2.gz UDFRAKISLAJHDQ-GFCCVEGCSA-N -1 3 293.298 1.796 10 10 CDCEHM CCOC(=O)[C@H](C)NCc1ccc(OC)cc1[O-] ZINC000049370658 521207769 /nfs/dbraw/zinc/20/77/69/521207769.db2.gz XFKOXDCPNLCLIN-VIFPVBQESA-N -1 3 253.298 1.442 10 10 CDCEHM COC(=O)[C@]1(O)CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000895702856 619805471 /nfs/dbraw/zinc/80/54/71/619805471.db2.gz FWTFHRMXPGBSCN-ZDUSSCGKSA-N -1 3 285.727 1.155 10 10 CDCEHM CCn1ncc(C(=O)NCc2c([O-])cccc2F)c1C ZINC000928709872 620506265 /nfs/dbraw/zinc/50/62/65/620506265.db2.gz MSZIOKGMRXFFDV-UHFFFAOYSA-N -1 3 277.299 1.986 10 10 CDCEHM C[C@H]1C[C@@H](CO)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000398783666 1158464744 /nfs/dbraw/zinc/46/47/44/1158464744.db2.gz POBGYDKXXVVNNT-VHSXEESVSA-N -1 3 265.309 1.188 10 10 CDCEHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CC23CC3)c1 ZINC000819625995 813181277 /nfs/dbraw/zinc/18/12/77/813181277.db2.gz QPACKRHHLYDEBV-NSHDSACASA-N -1 3 296.348 1.046 10 10 CDCEHM COCCCCC(=O)NCc1c([O-])cccc1F ZINC000928712561 805361168 /nfs/dbraw/zinc/36/11/68/805361168.db2.gz SSDDPBBNTKGGTJ-UHFFFAOYSA-N -1 3 255.289 1.964 10 10 CDCEHM CN(C)c1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000841808149 812879768 /nfs/dbraw/zinc/87/97/68/812879768.db2.gz YZTCDPOCPHTLOI-AWEZNQCLSA-N -1 3 288.351 1.402 10 10 CDCEHM C[C@H](NCc1cn(C)nn1)c1ccc(F)cc1[O-] ZINC000389840545 813819547 /nfs/dbraw/zinc/81/95/47/813819547.db2.gz VBQCRKLNEKMXSE-QMMMGPOBSA-N -1 3 250.277 1.511 10 10 CDCEHM COCCOCCC(=O)NCc1c([O-])cccc1F ZINC000928712337 817033855 /nfs/dbraw/zinc/03/38/55/817033855.db2.gz RNLPCZWWOZVKNH-UHFFFAOYSA-N -1 3 271.288 1.201 10 10 CDCEHM Cc1cc(C(=O)NCc2c([O-])cccc2F)no1 ZINC001638858633 1166879996 /nfs/dbraw/zinc/87/99/96/1166879996.db2.gz ZIAYASLCKIVELE-UHFFFAOYSA-N -1 3 250.229 1.758 10 10 CDCEHM COC(=O)[C@@H]1COCCN1Cc1c([O-])cc(C)cc1Cl ZINC000840918423 817996127 /nfs/dbraw/zinc/99/61/27/817996127.db2.gz SNOOXPDIPNXJNS-LBPRGKRZSA-N -1 3 299.754 1.728 10 10 CDCEHM O=S1(=O)CCN(Cc2cc(F)ccc2[O-])[C@H]2CCC[C@H]21 ZINC000825201706 931494647 /nfs/dbraw/zinc/49/46/47/931494647.db2.gz NBMCHQYQZLIGEC-GXTWGEPZSA-N -1 3 299.367 1.683 10 10 CDCEHM CCCN(C(=O)c1cccc(O)c1[O-])[C@H](C)C(=O)OCC ZINC001297139826 954971059 /nfs/dbraw/zinc/97/10/59/954971059.db2.gz HJJJBBSHYMQLFV-SNVBAGLBSA-N -1 3 295.335 1.902 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001545013800 967398133 /nfs/dbraw/zinc/39/81/33/967398133.db2.gz JQPLLIYCNRCFFL-BDAKNGLRSA-N -1 3 269.247 1.825 10 10 CDCEHM CC1(C)SC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000283199147 362199161 /nfs/dbraw/zinc/19/91/61/362199161.db2.gz LDZIFMCYGROGSR-VIFPVBQESA-N -1 3 253.323 1.722 10 10 CDCEHM C[C@@H]1CCNC(=O)[C@@H]1NCc1cc(Cl)c(F)cc1[O-] ZINC000294726178 199153815 /nfs/dbraw/zinc/15/38/15/199153815.db2.gz PQVAYWZLZJRJBL-JMCQJSRRSA-N -1 3 286.734 1.799 10 10 CDCEHM COC(=O)[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)ccc1[O-] ZINC000125784246 374965050 /nfs/dbraw/zinc/96/50/50/374965050.db2.gz DQFPGTLDANUNRR-VXGBXAGGSA-N -1 3 299.754 1.808 10 10 CDCEHM CC(C)N(CC(N)=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000294870682 391670132 /nfs/dbraw/zinc/67/01/32/391670132.db2.gz KBUPOHVDFMVFPR-UHFFFAOYSA-N -1 3 274.723 1.880 10 10 CDCEHM Nc1ccc(Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000020584548 171258073 /nfs/dbraw/zinc/25/80/73/171258073.db2.gz FCFMDXKDIIGENS-UHFFFAOYSA-N -1 3 253.261 1.896 10 10 CDCEHM COc1c([O-])c(CN2C[C@@H](O)C3(CC3)C2)ccc1[N+](=O)[O-] ZINC000365118225 521875427 /nfs/dbraw/zinc/87/54/27/521875427.db2.gz GXFMLILQJOEVSH-LLVKDONJSA-N -1 3 294.307 1.266 10 10 CDCEHM O=C(CNC(=O)c1cc([O-])cs1)NCc1ccco1 ZINC000731871940 575067548 /nfs/dbraw/zinc/06/75/48/575067548.db2.gz QXXOYSQWEGAKJT-UHFFFAOYSA-N -1 3 280.305 1.093 10 10 CDCEHM Cc1cc([O-])c(CN2CCN3C(=O)OC[C@@H]3C2)c(Cl)c1 ZINC000840915701 617663942 /nfs/dbraw/zinc/66/39/42/617663942.db2.gz FEYMORZQVAUAMM-JTQLQIEISA-N -1 3 296.754 1.990 10 10 CDCEHM O=C1CC2(CCC2)N(Cc2cc(F)cc(F)c2[O-])CCN1 ZINC000895927094 619905288 /nfs/dbraw/zinc/90/52/88/619905288.db2.gz LIBMEKSCZQYCDL-UHFFFAOYSA-N -1 3 296.317 1.915 10 10 CDCEHM COc1cnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC001623928379 1165802797 /nfs/dbraw/zinc/80/27/97/1165802797.db2.gz DPIUIJCFQCOEIK-UHFFFAOYSA-N -1 3 266.278 1.815 10 10 CDCEHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1CO ZINC001566371982 1168263405 /nfs/dbraw/zinc/26/34/05/1168263405.db2.gz GJYOXTQSFATMRS-UHFFFAOYSA-N -1 3 289.287 1.851 10 10 CDCEHM O=C1CC[C@H]2CN(Cc3cccc(F)c3[O-])CCN12 ZINC000160253091 1178367566 /nfs/dbraw/zinc/36/75/66/1178367566.db2.gz AWODZBZLZBSLEE-NSHDSACASA-N -1 3 264.300 1.338 10 10 CDCEHM CSCC[C@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928706768 818966739 /nfs/dbraw/zinc/96/67/39/818966739.db2.gz ZNXUQWWVEZYMPT-NSHDSACASA-N -1 3 273.329 1.262 10 10 CDCEHM C[C@H]1CC[C@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000922824093 820966139 /nfs/dbraw/zinc/96/61/39/820966139.db2.gz YDQKUKCPCNOELC-VHSXEESVSA-N -1 3 282.315 1.898 10 10 CDCEHM CC[C@@H](C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452598 821013722 /nfs/dbraw/zinc/01/37/22/821013722.db2.gz TXAYVRMEMNIFPR-SECBINFHSA-N -1 3 275.345 1.997 10 10 CDCEHM Cc1nc(C)c(CC(=O)N2Cc3cccc(O)c3C2)c(=O)[n-]1 ZINC000871198711 821308297 /nfs/dbraw/zinc/30/82/97/821308297.db2.gz NLOAJKBPCFHLDX-UHFFFAOYSA-N -1 3 299.330 1.590 10 10 CDCEHM C[C@H]1COC2(CCC2)CN1C(=O)c1cccc(O)c1[O-] ZINC000855518788 821460625 /nfs/dbraw/zinc/46/06/25/821460625.db2.gz KETBPGJKLLUKNT-JTQLQIEISA-N -1 3 277.320 1.881 10 10 CDCEHM CC12CC(C1)CN2Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000853084393 821853560 /nfs/dbraw/zinc/85/35/60/821853560.db2.gz JUHYACGFFPFFSJ-UHFFFAOYSA-N -1 3 288.307 1.117 10 10 CDCEHM C[C@@H]1CN(CCO)CCN1Cc1cccc(Cl)c1[O-] ZINC000825337941 821867415 /nfs/dbraw/zinc/86/74/15/821867415.db2.gz JHYMJWYBRAQHLZ-LLVKDONJSA-N -1 3 284.787 1.544 10 10 CDCEHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])CC1(F)F ZINC000689185750 936029576 /nfs/dbraw/zinc/02/95/76/936029576.db2.gz RPMMWWRYTULKTR-LLVKDONJSA-N -1 3 257.236 1.873 10 10 CDCEHM Cc1ccc(O)c(CNC(=O)c2cnncc2[O-])c1 ZINC001301047413 955923985 /nfs/dbraw/zinc/92/39/85/955923985.db2.gz XCAGFQWJUNQTQL-UHFFFAOYSA-N -1 3 259.265 1.126 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]1[C@H]1CCCOC1 ZINC001522777539 970553889 /nfs/dbraw/zinc/55/38/89/970553889.db2.gz OIEILHYXMKGBEF-CMPLNLGQSA-N -1 3 277.320 1.739 10 10 CDCEHM [O-]c1ccc(Cl)cc1CN1CCN2CCOC[C@H]2C1 ZINC000375236450 370798178 /nfs/dbraw/zinc/79/81/78/370798178.db2.gz GFKIJIUGPCTSCW-CYBMUJFWSA-N -1 3 282.771 1.562 10 10 CDCEHM Cc1ccc(C(=O)N(C)OCC(F)(F)F)c([O-])c1O ZINC000530258590 368152790 /nfs/dbraw/zinc/15/27/90/368152790.db2.gz GKQAIBXGCFBIKC-UHFFFAOYSA-N -1 3 279.214 1.972 10 10 CDCEHM O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1cccc(O)c1[O-] ZINC000193140287 373682909 /nfs/dbraw/zinc/68/29/09/373682909.db2.gz HCJJWCNBAUDLIC-JSGCOSHPSA-N -1 3 285.299 1.486 10 10 CDCEHM Cn1cc(NC(=O)c2cccc(O)c2[O-])c(C2CC2)n1 ZINC000291039420 263119732 /nfs/dbraw/zinc/11/97/32/263119732.db2.gz HYVBUZHPJIRYMR-UHFFFAOYSA-N -1 3 273.292 1.961 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC(c2ncc[nH]2)CC1 ZINC000275042672 526771324 /nfs/dbraw/zinc/77/13/24/526771324.db2.gz VSZNJNUKYGOTJM-UHFFFAOYSA-N -1 3 287.319 1.841 10 10 CDCEHM CCOC(=O)CC[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000761058158 576539098 /nfs/dbraw/zinc/53/90/98/576539098.db2.gz VOBRCFHCDOEYRL-MRVPVSSYSA-N -1 3 271.338 1.915 10 10 CDCEHM C[C@@H](CCNC(=O)c1cc([O-])cs1)[S@](C)=O ZINC000764758296 575944671 /nfs/dbraw/zinc/94/46/71/575944671.db2.gz SDAOXCMYCLXGJS-GYKQLYQFSA-N -1 3 261.368 1.341 10 10 CDCEHM O=C1CN(Cc2c([O-])cccc2Cl)CCN1C1CC1 ZINC000769425016 576353426 /nfs/dbraw/zinc/35/34/26/576353426.db2.gz BMQBPNCDWKYRIU-UHFFFAOYSA-N -1 3 280.755 1.852 10 10 CDCEHM C[C@@H](NCc1c([O-])cccc1Cl)C1N=NC(=O)N1C ZINC000895181286 619432256 /nfs/dbraw/zinc/43/22/56/619432256.db2.gz RRRWOMWTXCSLPX-SSDOTTSWSA-N -1 3 282.731 1.731 10 10 CDCEHM Cc1ccncc1CNC(=O)c1cccc(O)c1[O-] ZINC000163019204 1180345815 /nfs/dbraw/zinc/34/58/15/1180345815.db2.gz VKIPDQVGIOTVJM-UHFFFAOYSA-N -1 3 258.277 1.731 10 10 CDCEHM CC(=O)c1cc(F)cc(CN(C)CCn2cnnc2)c1[O-] ZINC001620549651 1165657834 /nfs/dbraw/zinc/65/78/34/1165657834.db2.gz LKQGVQFFLFZWHY-UHFFFAOYSA-N -1 3 292.314 1.457 10 10 CDCEHM C[C@]1(CNC(=O)NCc2c([O-])cccc2F)CCCO1 ZINC000921397318 828549134 /nfs/dbraw/zinc/54/91/34/828549134.db2.gz WSVQLPSIWXRASF-CQSZACIVSA-N -1 3 282.315 1.900 10 10 CDCEHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])nn1C ZINC000775075532 823874515 /nfs/dbraw/zinc/87/45/15/823874515.db2.gz MRQAVDUNMMOSJP-UHFFFAOYSA-N -1 3 277.280 1.401 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000830179982 824473972 /nfs/dbraw/zinc/47/39/72/824473972.db2.gz FJYUSDYUVRWCAL-FJZDIADXSA-N -1 3 277.295 1.571 10 10 CDCEHM Cc1ccc(C(=O)Nc2cnccc2CO)c([O-])c1O ZINC000182953846 824553944 /nfs/dbraw/zinc/55/39/44/824553944.db2.gz MTHUZMFCHBITAX-UHFFFAOYSA-N -1 3 274.276 1.546 10 10 CDCEHM O=C(NCC[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000126351463 825797470 /nfs/dbraw/zinc/79/74/70/825797470.db2.gz IKKDUHGDTVIPTK-VIFPVBQESA-N -1 3 251.282 1.397 10 10 CDCEHM C[C@@H]1C(=O)N(C)CN1Cc1cc(Br)ccc1[O-] ZINC000843435368 826834085 /nfs/dbraw/zinc/83/40/85/826834085.db2.gz NIXOMYVDOCQFRU-MRVPVSSYSA-N -1 3 299.168 1.775 10 10 CDCEHM CC(C)NC(=O)[C@@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000703417087 827188257 /nfs/dbraw/zinc/18/82/57/827188257.db2.gz IBVOPVPASWHXME-MRVPVSSYSA-N -1 3 272.295 1.673 10 10 CDCEHM CCO[C@H](C(=O)NCc1c([O-])cccc1F)[C@@H]1CCOC1 ZINC000928707852 827207039 /nfs/dbraw/zinc/20/70/39/827207039.db2.gz CYWQQRQTXSUTNX-YGRLFVJLSA-N -1 3 297.326 1.589 10 10 CDCEHM COC(=O)C[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928705807 827809190 /nfs/dbraw/zinc/80/91/90/827809190.db2.gz NFDSBHDJSPGROE-QMMMGPOBSA-N -1 3 269.272 1.347 10 10 CDCEHM COC(C)(C)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000720057917 827839277 /nfs/dbraw/zinc/83/92/77/827839277.db2.gz USIFCOWSDJFKGX-QMMMGPOBSA-N -1 3 253.298 1.641 10 10 CDCEHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2nnnn2C)c1[O-] ZINC001560203067 960885430 /nfs/dbraw/zinc/88/54/30/960885430.db2.gz MXXPAHVVXVXPKJ-ZETCQYMHSA-N -1 3 293.302 1.108 10 10 CDCEHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(O)c(O)c1 ZINC001556804102 965098597 /nfs/dbraw/zinc/09/85/97/965098597.db2.gz UGHXPNLHEUBQFW-VIFPVBQESA-N -1 3 253.298 1.734 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H](O)Cc1ccccc1 ZINC001558455773 965286771 /nfs/dbraw/zinc/28/67/71/965286771.db2.gz YFXJRTYRVXVRJJ-HNNXBMFYSA-N -1 3 289.306 1.751 10 10 CDCEHM CC(F)(F)CCS(=O)(=O)NCc1c([O-])cccc1F ZINC001350891212 966789644 /nfs/dbraw/zinc/78/96/44/966789644.db2.gz XTSRVLURLKGFRC-UHFFFAOYSA-N -1 3 297.298 1.996 10 10 CDCEHM Cn1cccc(C(=O)NCc2c([O-])cccc2F)c1=O ZINC001456031007 968850939 /nfs/dbraw/zinc/85/09/39/968850939.db2.gz VNIBFQDDHOGGQJ-UHFFFAOYSA-N -1 3 276.267 1.160 10 10 CDCEHM COC[C@@H]1CCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000294409759 371059521 /nfs/dbraw/zinc/05/95/21/371059521.db2.gz RALXLTPIKQXQGT-VIFPVBQESA-N -1 3 251.282 1.267 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H](C)[C@H](C)CO)c([O-])c1O ZINC000182820390 391245853 /nfs/dbraw/zinc/24/58/53/391245853.db2.gz CUFYKWUQCALYPE-BDAKNGLRSA-N -1 3 253.298 1.153 10 10 CDCEHM CC[C@@H](c1ccccc1[O-])N1CCCS(=O)(=O)CC1 ZINC000234042664 333357448 /nfs/dbraw/zinc/35/74/48/333357448.db2.gz MONHLHPQSSUMSS-ZDUSSCGKSA-N -1 3 283.393 1.964 10 10 CDCEHM CN(CC(=O)NC(C)(C)C)C(=O)c1cc([O-])cs1 ZINC000732258870 575084498 /nfs/dbraw/zinc/08/44/98/575084498.db2.gz ZSKLWJSZMFIIDD-UHFFFAOYSA-N -1 3 270.354 1.440 10 10 CDCEHM C[C@@H](C(=O)NCc1c([O-])cccc1F)[C@H]1CCC(=O)N1 ZINC000928706633 620505358 /nfs/dbraw/zinc/50/53/58/620505358.db2.gz SPCWNKYOZZOAMW-LDYMZIIASA-N -1 3 280.299 1.062 10 10 CDCEHM CCC/C=C/[C@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928710515 620506500 /nfs/dbraw/zinc/50/65/00/620506500.db2.gz UFHPURAECYEWSX-LVDDQXARSA-N -1 3 267.300 1.865 10 10 CDCEHM CN(C)C(=O)CCCNC(=O)NCc1c([O-])cccc1F ZINC000914360662 631376989 /nfs/dbraw/zinc/37/69/89/631376989.db2.gz USFXNZVXKIPVOM-UHFFFAOYSA-N -1 3 297.330 1.199 10 10 CDCEHM CCN1CC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001646033507 1167618080 /nfs/dbraw/zinc/61/80/80/1167618080.db2.gz AASBWWPFFHJNTF-NSHDSACASA-N -1 3 252.289 1.242 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnc2n1CCCC2 ZINC000928707116 828864390 /nfs/dbraw/zinc/86/43/90/828864390.db2.gz AGPHUDPAUWSNHP-UHFFFAOYSA-N -1 3 289.310 1.994 10 10 CDCEHM O=C(CC1(O)CCOCC1)NCc1c([O-])cccc1F ZINC000928710181 829298796 /nfs/dbraw/zinc/29/87/96/829298796.db2.gz PKMCRGQAUXDIFG-UHFFFAOYSA-N -1 3 283.299 1.079 10 10 CDCEHM COC1CC(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928709758 829844434 /nfs/dbraw/zinc/84/44/34/829844434.db2.gz FQEVBKGPHRGVIA-UHFFFAOYSA-N -1 3 253.273 1.573 10 10 CDCEHM COC(OC)[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000923646268 832293700 /nfs/dbraw/zinc/29/37/00/832293700.db2.gz QSWYKDPLIJNCAD-MRVPVSSYSA-N -1 3 286.303 1.338 10 10 CDCEHM COC[C@H](C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452370 833872396 /nfs/dbraw/zinc/87/23/96/833872396.db2.gz NCJUTXIJMCWDRE-VIFPVBQESA-N -1 3 291.344 1.233 10 10 CDCEHM C[C@@H]1COCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922202968 834564849 /nfs/dbraw/zinc/56/48/49/834564849.db2.gz SVOKUKSATFPUSI-SKDRFNHKSA-N -1 3 282.315 1.756 10 10 CDCEHM O=C(N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1cccc(O)c1[O-] ZINC000870482728 834594365 /nfs/dbraw/zinc/59/43/65/834594365.db2.gz JKEGJSRSQKEKBJ-OCPUWRTQSA-N -1 3 275.304 1.251 10 10 CDCEHM NC(=O)NCCCCCC(=O)NCc1c([O-])cccc1F ZINC001184348161 919102394 /nfs/dbraw/zinc/10/23/94/919102394.db2.gz MBRAMVDYUOBPJG-UHFFFAOYSA-N -1 3 297.330 1.376 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)[N-]OCc1ccccc1 ZINC001463935291 969758628 /nfs/dbraw/zinc/75/86/28/969758628.db2.gz OLHJXTDXROYNKE-UHFFFAOYSA-N -1 3 273.288 1.888 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccnc(CO)c1 ZINC001471975909 970527477 /nfs/dbraw/zinc/52/74/77/970527477.db2.gz MGFUAMXOCFKFIB-UHFFFAOYSA-N -1 3 276.267 1.349 10 10 CDCEHM C[C@H]1CCNC(=O)[C@H]1NCc1cc(Cl)c(F)cc1[O-] ZINC000294726223 199153560 /nfs/dbraw/zinc/15/35/60/199153560.db2.gz PQVAYWZLZJRJBL-MADCSZMMSA-N -1 3 286.734 1.799 10 10 CDCEHM CC(=O)N1CCN(Cc2cc(F)ccc2[O-])[C@H](C)C1 ZINC000272342281 365198065 /nfs/dbraw/zinc/19/80/65/365198065.db2.gz YYHUWAHLSFVFSK-SNVBAGLBSA-N -1 3 266.316 1.584 10 10 CDCEHM NC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294955993 371110051 /nfs/dbraw/zinc/11/00/51/371110051.db2.gz QJHYXXJXAUCTAN-UHFFFAOYSA-N -1 3 286.734 1.882 10 10 CDCEHM CCn1ccnc1CNC(=O)c1cccc(O)c1[O-] ZINC000395369255 1159633290 /nfs/dbraw/zinc/63/32/90/1159633290.db2.gz AFJSFRNBEBOLNU-UHFFFAOYSA-N -1 3 261.281 1.244 10 10 CDCEHM COc1cccc([O-])c1CN1CCN(C2CC2)CC1 ZINC000768243012 576266803 /nfs/dbraw/zinc/26/68/03/576266803.db2.gz GAHOWPJVHWWHBJ-UHFFFAOYSA-N -1 3 262.353 1.681 10 10 CDCEHM COC(=O)[C@H]1CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000840914108 617648697 /nfs/dbraw/zinc/64/86/97/617648697.db2.gz NZUNOJOEGSNYAA-CYBMUJFWSA-N -1 3 299.754 1.728 10 10 CDCEHM CCn1ncc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000928705369 620504007 /nfs/dbraw/zinc/50/40/07/620504007.db2.gz HSXXSSHFJUCFFP-UHFFFAOYSA-N -1 3 264.260 1.073 10 10 CDCEHM CCC[C@H](OC)C(=O)NCc1c([O-])cccc1F ZINC000928706977 620505458 /nfs/dbraw/zinc/50/54/58/620505458.db2.gz YVVHLLHDJNPQSW-LBPRGKRZSA-N -1 3 255.289 1.963 10 10 CDCEHM O=C(N[C@H]1C[C@@H]1c1cccnc1)c1cccc(O)c1[O-] ZINC001626033142 1161328998 /nfs/dbraw/zinc/32/89/98/1161328998.db2.gz YPNAQQUFOUTWEO-NEPJUHHUSA-N -1 3 270.288 1.779 10 10 CDCEHM O=C(Cc1ccc([O-])c(F)c1)NCc1cccc(O)c1O ZINC001637045909 1166720217 /nfs/dbraw/zinc/72/02/17/1166720217.db2.gz NAZKZZZUACKTSH-UHFFFAOYSA-N -1 3 291.278 1.801 10 10 CDCEHM CC1(C)OCC(C)(C(=O)NCc2c([O-])cccc2F)CO1 ZINC000928705616 837398124 /nfs/dbraw/zinc/39/81/24/837398124.db2.gz MDRWCAYHIIDBHH-UHFFFAOYSA-N -1 3 297.326 1.937 10 10 CDCEHM Cc1nccc(CCC(=O)NCc2c([O-])cccc2F)n1 ZINC000928707033 839169311 /nfs/dbraw/zinc/16/93/11/839169311.db2.gz ZZDMKAQVOMMQAI-UHFFFAOYSA-N -1 3 289.310 1.879 10 10 CDCEHM Cc1ccc(CN(CCO)C(=O)c2cccc(O)c2[O-])o1 ZINC000794316554 840227541 /nfs/dbraw/zinc/22/75/41/840227541.db2.gz JJLBHMVVSDIMSL-UHFFFAOYSA-N -1 3 291.303 1.634 10 10 CDCEHM CC1(C)CC[C@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000691887188 937222600 /nfs/dbraw/zinc/22/26/00/937222600.db2.gz YPOTVTNWOHDRIT-SECBINFHSA-N -1 3 265.309 1.785 10 10 CDCEHM O=C(N[C@@H]1COC2(CCC2)C1)c1cccc(O)c1[O-] ZINC000688343468 934589664 /nfs/dbraw/zinc/58/96/64/934589664.db2.gz XOSBHCWYKPSGFR-VIFPVBQESA-N -1 3 263.293 1.539 10 10 CDCEHM C[C@H](C(=O)NCc1c([O-])cccc1F)c1cnccn1 ZINC001471976423 970526539 /nfs/dbraw/zinc/52/65/39/970526539.db2.gz YRWPVWZMBCIJRT-VIFPVBQESA-N -1 3 275.283 1.741 10 10 CDCEHM Cc1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)c([O-])c1O ZINC000274488187 365684752 /nfs/dbraw/zinc/68/47/52/365684752.db2.gz BHWOEHVQEAHDHW-HNNXBMFYSA-N -1 3 293.319 1.038 10 10 CDCEHM O=C(N[C@H]1CCC[C@H](CO)C1)c1cccc(O)c1[O-] ZINC000298512433 200454925 /nfs/dbraw/zinc/45/49/25/200454925.db2.gz WASZPDGQRVSUEQ-UWVGGRQHSA-N -1 3 265.309 1.379 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCCN(C)C(=O)C2)c1[O-] ZINC000191142581 278244139 /nfs/dbraw/zinc/24/41/39/278244139.db2.gz DKYNLUBPONMXIA-UHFFFAOYSA-N -1 3 294.326 1.398 10 10 CDCEHM CCOC(=O)[C@H](C)N[C@H](C)c1ccc(O)cc1[O-] ZINC000049367894 521212979 /nfs/dbraw/zinc/21/29/79/521212979.db2.gz AYLVGIJWKHLLOE-BDAKNGLRSA-N -1 3 253.298 1.700 10 10 CDCEHM Cc1ccc(C(=O)NCCOCC2CCC2)c([O-])c1O ZINC000765753829 576053335 /nfs/dbraw/zinc/05/33/35/576053335.db2.gz OLBOQJGFNUXAKE-UHFFFAOYSA-N -1 3 279.336 1.953 10 10 CDCEHM CCN(CC(=O)OC)Cc1c([O-])cccc1OC ZINC000769317423 576345170 /nfs/dbraw/zinc/34/51/70/576345170.db2.gz PIKJWXRNCNMRAW-UHFFFAOYSA-N -1 3 253.298 1.396 10 10 CDCEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cn(C)nn2)c1 ZINC000757658974 577048983 /nfs/dbraw/zinc/04/89/83/577048983.db2.gz WHFMXODTWLMPMH-SECBINFHSA-N -1 3 290.323 1.158 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cn2c(n1)CCC2 ZINC000928706236 620504450 /nfs/dbraw/zinc/50/44/50/620504450.db2.gz PKENBGPYTWYVLR-UHFFFAOYSA-N -1 3 275.283 1.604 10 10 CDCEHM CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1c([O-])cccc1F ZINC000928707181 620505070 /nfs/dbraw/zinc/50/50/70/620505070.db2.gz BVJRYHHOFAVORR-XPTSAGLGSA-N -1 3 296.342 1.698 10 10 CDCEHM O=C(NCCOCC(F)F)NCc1c([O-])cccc1F ZINC000922148345 844379891 /nfs/dbraw/zinc/37/98/91/844379891.db2.gz GLMITAVFOJDZOK-UHFFFAOYSA-N -1 3 292.257 1.612 10 10 CDCEHM CN(C)C(=O)C1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928708513 844478949 /nfs/dbraw/zinc/47/89/49/844478949.db2.gz NJIOFMJZUGPUEV-UHFFFAOYSA-N -1 3 280.299 1.016 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1SCCS1 ZINC000928705798 844588070 /nfs/dbraw/zinc/58/80/70/844588070.db2.gz MYGQKGFUCLQJQE-UHFFFAOYSA-N -1 3 273.354 1.954 10 10 CDCEHM CC1CCN(C(=O)C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928707733 843413181 /nfs/dbraw/zinc/41/31/81/843413181.db2.gz HJAPAXXLQHARDT-UHFFFAOYSA-N -1 3 294.326 1.406 10 10 CDCEHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1cn(C)nn1 ZINC000720605872 844665427 /nfs/dbraw/zinc/66/54/27/844665427.db2.gz HDUCEOUCRZJJRF-SSDOTTSWSA-N -1 3 268.267 1.650 10 10 CDCEHM CC[C@H]1[C@H](CO)CCN1C(=O)c1cccc(O)c1[O-] ZINC000395067561 844953247 /nfs/dbraw/zinc/95/32/47/844953247.db2.gz BVFZVVKVWMLRFA-ONGXEEELSA-N -1 3 265.309 1.331 10 10 CDCEHM COC(=O)C[C@H](C)CC(=O)NCc1c([O-])cccc1F ZINC000928705626 845460585 /nfs/dbraw/zinc/46/05/85/845460585.db2.gz KIDDJRSNBMSKOS-SECBINFHSA-N -1 3 283.299 1.737 10 10 CDCEHM Cc1ccc(C(=O)Nc2ccc(C(N)=O)nc2)c([O-])c1O ZINC000780981691 845560338 /nfs/dbraw/zinc/56/03/38/845560338.db2.gz AYPJENMZBNYPGZ-UHFFFAOYSA-N -1 3 287.275 1.152 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnn2c1CCC2 ZINC000928704892 846784148 /nfs/dbraw/zinc/78/41/48/846784148.db2.gz AQWPZYCYCKMWNX-UHFFFAOYSA-N -1 3 275.283 1.604 10 10 CDCEHM CCN(Cc1cn(C)nn1)Cc1cc(F)ccc1[O-] ZINC000781929733 847614648 /nfs/dbraw/zinc/61/46/48/847614648.db2.gz LHSZUUNLTTWLMF-UHFFFAOYSA-N -1 3 264.304 1.682 10 10 CDCEHM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709793 933174346 /nfs/dbraw/zinc/17/43/46/933174346.db2.gz LPPFDWXSOFEAGJ-OXHMUOHRSA-N -1 3 267.300 1.819 10 10 CDCEHM Cc1nn(C)cc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001332299275 957510422 /nfs/dbraw/zinc/51/04/22/957510422.db2.gz JAQLDSGEJQEOKM-UHFFFAOYSA-N -1 3 299.327 1.052 10 10 CDCEHM CCc1nn(C)cc1C(=O)NCc1c([O-])cccc1F ZINC001335311830 959698364 /nfs/dbraw/zinc/69/83/64/959698364.db2.gz MIRVGETYVOCOTR-UHFFFAOYSA-N -1 3 277.299 1.757 10 10 CDCEHM C[C@@]12CSC[C@@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001472256322 968491931 /nfs/dbraw/zinc/49/19/31/968491931.db2.gz GIQHDWWPECTXNU-LKFCYVNXSA-N -1 3 279.361 1.923 10 10 CDCEHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])Cc2cncnc21 ZINC001455140716 968627661 /nfs/dbraw/zinc/62/76/61/968627661.db2.gz PNFGHIHXKZSQAP-VIFPVBQESA-N -1 3 285.303 1.647 10 10 CDCEHM NCc1nccnc1NCc1cccc(Cl)c1[O-] ZINC001472899443 970724740 /nfs/dbraw/zinc/72/47/40/970724740.db2.gz USHBSDTUQYTZSG-UHFFFAOYSA-N -1 3 264.716 1.906 10 10 CDCEHM COCCN1CN(Cc2cc(Cl)cc(C)c2[O-])CC1=O ZINC000283140805 368200539 /nfs/dbraw/zinc/20/05/39/368200539.db2.gz WUHRJTCAUVRUFH-UHFFFAOYSA-N -1 3 298.770 1.602 10 10 CDCEHM COC[C@@H](C)CC(=O)NCc1c([O-])cccc1F ZINC000928705455 620504398 /nfs/dbraw/zinc/50/43/98/620504398.db2.gz KFXWVJHMDQUFHC-VIFPVBQESA-N -1 3 255.289 1.820 10 10 CDCEHM CO[C@H](C)CCC(=O)NCc1c([O-])cccc1F ZINC000928708541 620505928 /nfs/dbraw/zinc/50/59/28/620505928.db2.gz OIAIRMDNYAXSGV-SECBINFHSA-N -1 3 255.289 1.963 10 10 CDCEHM O=C(c1cnncc1[O-])N1Cc2cccc(O)c2C1 ZINC001632709115 1166369330 /nfs/dbraw/zinc/36/93/30/1166369330.db2.gz LEMHFTFMHRUNRO-UHFFFAOYSA-N -1 3 257.249 1.044 10 10 CDCEHM COc1cc(C(=O)NCc2c([O-])cccc2F)on1 ZINC001638862538 1166880199 /nfs/dbraw/zinc/88/01/99/1166880199.db2.gz AKTXEBYAUPYSEQ-UHFFFAOYSA-N -1 3 266.228 1.458 10 10 CDCEHM Cc1ccc(C(=O)N2c3ccccc3C[C@H]2CO)c([O-])c1O ZINC001641151129 1167079994 /nfs/dbraw/zinc/07/99/94/1167079994.db2.gz KGHYFPWCCFOBFW-LBPRGKRZSA-N -1 3 299.326 1.970 10 10 CDCEHM CC[C@@H](CNC(=O)NCc1c([O-])cccc1F)OC ZINC000922542929 697956709 /nfs/dbraw/zinc/95/67/09/697956709.db2.gz HRMADHVRFOVHAI-VIFPVBQESA-N -1 3 270.304 1.756 10 10 CDCEHM CC[C@@H](C)C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000843940761 698344264 /nfs/dbraw/zinc/34/42/64/698344264.db2.gz WCSWSLWYYXXWPJ-MWLCHTKSSA-N -1 3 295.335 1.805 10 10 CDCEHM Cn1nccc1CNCc1ccc(F)c(F)c1[O-] ZINC000700738104 704813523 /nfs/dbraw/zinc/81/35/23/704813523.db2.gz OWRFHEYJRFKYIS-UHFFFAOYSA-N -1 3 253.252 1.694 10 10 CDCEHM O=C(CN1CCCCC1=O)NCc1c([O-])cccc1F ZINC000928711553 848696832 /nfs/dbraw/zinc/69/68/32/848696832.db2.gz IRBWKPQXZQETRR-UHFFFAOYSA-N -1 3 280.299 1.160 10 10 CDCEHM C[C@](O)(C(=O)NCc1c([O-])cccc1F)C1CCC1 ZINC000928707025 848880690 /nfs/dbraw/zinc/88/06/90/848880690.db2.gz ZVQIYIPYSJUVFH-CQSZACIVSA-N -1 3 267.300 1.699 10 10 CDCEHM CCOC(=O)[C@H](CSC)NC(=O)c1cccc(O)c1[O-] ZINC000928292448 848982428 /nfs/dbraw/zinc/98/24/28/848982428.db2.gz LWIJISIKJSBSSI-VIFPVBQESA-N -1 3 299.348 1.122 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1=COCCO1 ZINC000928709507 849244062 /nfs/dbraw/zinc/24/40/62/849244062.db2.gz IWPIGJBXTYYGEK-UHFFFAOYSA-N -1 3 253.229 1.036 10 10 CDCEHM CC(=O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000707851134 849312499 /nfs/dbraw/zinc/31/24/99/849312499.db2.gz FDZKMEGENMANBS-UHFFFAOYSA-N -1 3 263.293 1.539 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2COC[C@@H]2C1 ZINC000690766232 897851771 /nfs/dbraw/zinc/85/17/71/897851771.db2.gz MNMFERMXHWKLPX-ZJUUUORDSA-N -1 3 263.293 1.206 10 10 CDCEHM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000688966644 934757609 /nfs/dbraw/zinc/75/76/09/934757609.db2.gz GEQFFRGGWPJYSD-ZJUUUORDSA-N -1 3 265.309 1.785 10 10 CDCEHM C[C@H]1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000688966643 934757881 /nfs/dbraw/zinc/75/78/81/934757881.db2.gz GEQFFRGGWPJYSD-VHSXEESVSA-N -1 3 265.309 1.785 10 10 CDCEHM O=C(CCc1cnccn1)NCc1c([O-])cccc1F ZINC001596916736 1174249481 /nfs/dbraw/zinc/24/94/81/1174249481.db2.gz NDPNYOBZNNPYAH-UHFFFAOYSA-N -1 3 275.283 1.570 10 10 CDCEHM CC(=O)C(=N[N-]c1cnn(C)c1)C(=O)OC(C)(C)C ZINC000616220955 349380102 /nfs/dbraw/zinc/38/01/02/349380102.db2.gz NLHXAYMVGNXXTN-SNVBAGLBSA-N -1 3 266.301 1.803 10 10 CDCEHM CCN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCNC1=O ZINC000294538074 199077249 /nfs/dbraw/zinc/07/72/49/199077249.db2.gz DNTOSGJUUVUVJI-LLVKDONJSA-N -1 3 286.734 1.895 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC(=O)N(C)[C@H](C)C2)c1[O-] ZINC000282212346 367776988 /nfs/dbraw/zinc/77/69/88/367776988.db2.gz OMULSTZSGPMZFK-SECBINFHSA-N -1 3 294.326 1.396 10 10 CDCEHM Cc1ccc(C(=O)NC2(CCO)CCCC2)c([O-])c1O ZINC000285865342 368664378 /nfs/dbraw/zinc/66/43/78/368664378.db2.gz CJAQIMTYYJJVTR-UHFFFAOYSA-N -1 3 279.336 1.831 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2CCCn3ncnc32)c([O-])c1O ZINC000182577571 391236953 /nfs/dbraw/zinc/23/69/53/391236953.db2.gz ULCYJLFYAYHKBF-JTQLQIEISA-N -1 3 288.307 1.263 10 10 CDCEHM Cc1ccc(C(=O)N[C@H](C)[C@@H](C)CO)c([O-])c1O ZINC000182820372 391245836 /nfs/dbraw/zinc/24/58/36/391245836.db2.gz CUFYKWUQCALYPE-DTWKUNHWSA-N -1 3 253.298 1.153 10 10 CDCEHM Cc1cc(CN(C)C(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000179421682 391204716 /nfs/dbraw/zinc/20/47/16/391204716.db2.gz DGYXIYKZNDZPHF-UHFFFAOYSA-N -1 3 276.292 1.975 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC2(C1)CCCOC2 ZINC000377192969 268055012 /nfs/dbraw/zinc/05/50/12/268055012.db2.gz NCWMVVODPGMTHI-UHFFFAOYSA-N -1 3 263.293 1.350 10 10 CDCEHM COCCOCCN(C)Cc1cccc(F)c1[O-] ZINC000290236851 523999903 /nfs/dbraw/zinc/99/99/03/523999903.db2.gz UEVGIQXOKFJMRK-UHFFFAOYSA-N -1 3 257.305 1.626 10 10 CDCEHM C[C@H](N[C@H]1CCCNC1=O)c1ccc(F)cc1[O-] ZINC000062748413 525607251 /nfs/dbraw/zinc/60/72/51/525607251.db2.gz CWIGLHDRMUAPTH-KWQFWETISA-N -1 3 252.289 1.461 10 10 CDCEHM CC(C)OC[C@H](O)COC(=O)c1cc([O-])cs1 ZINC000762889433 576688415 /nfs/dbraw/zinc/68/84/15/576688415.db2.gz DLCNAPYGUMZJFG-VIFPVBQESA-N -1 3 260.311 1.396 10 10 CDCEHM CN(C)c1nc(CN(C)Cc2ccccc2[O-])ns1 ZINC000749297972 576942516 /nfs/dbraw/zinc/94/25/16/576942516.db2.gz NXUHDSAKEHWBKM-UHFFFAOYSA-N -1 3 278.381 1.942 10 10 CDCEHM C[C@H](COC(=O)c1cc([O-])cs1)CS(C)(=O)=O ZINC000758024226 577068222 /nfs/dbraw/zinc/06/82/22/577068222.db2.gz OQUZEOLQSHZRME-SSDOTTSWSA-N -1 3 278.351 1.291 10 10 CDCEHM Cn1cc([C@@H]2C[C@H]2C(=O)NCc2c([O-])cccc2F)cn1 ZINC000928705267 620504136 /nfs/dbraw/zinc/50/41/36/620504136.db2.gz FOEBZPZMVILEIO-WDEREUQCSA-N -1 3 289.310 1.685 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000899435072 622253366 /nfs/dbraw/zinc/25/33/66/622253366.db2.gz CTJBXUGMOBNHLS-IUODEOHRSA-N -1 3 277.320 1.475 10 10 CDCEHM O=C(NCCCn1cccn1)NCc1c([O-])cccc1F ZINC000914010154 630956573 /nfs/dbraw/zinc/95/65/73/630956573.db2.gz IHLOIGINXRIXLD-UHFFFAOYSA-N -1 3 292.314 1.617 10 10 CDCEHM C[C@H](CO)CCCNC(=O)NCc1c([O-])cccc1F ZINC000921677709 633154936 /nfs/dbraw/zinc/15/49/36/633154936.db2.gz UOICFIHFPYOXMB-JTQLQIEISA-N -1 3 284.331 1.739 10 10 CDCEHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])c(C(N)=O)c1 ZINC001627369088 1165993021 /nfs/dbraw/zinc/99/30/21/1165993021.db2.gz ZUJLURWSEYKKAN-UHFFFAOYSA-N -1 3 286.287 1.757 10 10 CDCEHM C[C@H](C(=O)NCc1c([O-])cccc1F)n1cccn1 ZINC001646029368 1167616797 /nfs/dbraw/zinc/61/67/97/1167616797.db2.gz WQNOPKBJTAZVJM-SECBINFHSA-N -1 3 263.272 1.605 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1C(F)(F)F ZINC001565846858 1168184122 /nfs/dbraw/zinc/18/41/22/1168184122.db2.gz MQQKWFUSQPNGEC-VIFPVBQESA-N -1 3 291.225 1.501 10 10 CDCEHM NC(=O)C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000862535468 705676753 /nfs/dbraw/zinc/67/67/53/705676753.db2.gz NYLCOBNBXNJEEG-LLVKDONJSA-N -1 3 284.743 1.122 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCOC1 ZINC000928712733 706132250 /nfs/dbraw/zinc/13/22/50/706132250.db2.gz YGQXGARNXIAYAG-SECBINFHSA-N -1 3 253.273 1.574 10 10 CDCEHM Cn1nc2c(c1C(=O)NCc1c([O-])cccc1F)CCC2 ZINC000928708314 709825657 /nfs/dbraw/zinc/82/56/57/709825657.db2.gz FNNANSMYWDEOBJ-UHFFFAOYSA-N -1 3 289.310 1.684 10 10 CDCEHM O=C(NCCC1(CO)CCC1)c1cccc(O)c1[O-] ZINC000846561594 710512239 /nfs/dbraw/zinc/51/22/39/710512239.db2.gz BKDOMHFBOCXKNU-UHFFFAOYSA-N -1 3 265.309 1.380 10 10 CDCEHM COC[C@@]1(C(=O)NCc2c([O-])cccc2F)CCOC1 ZINC000928706613 710528289 /nfs/dbraw/zinc/52/82/89/710528289.db2.gz SAMRRXIXXISIJF-AWEZNQCLSA-N -1 3 283.299 1.201 10 10 CDCEHM O=C1CCN(Cc2cccc(Br)c2[O-])CCN1 ZINC000093101743 711461057 /nfs/dbraw/zinc/46/10/57/711461057.db2.gz VQULLHCJOLUAAW-UHFFFAOYSA-N -1 3 299.168 1.477 10 10 CDCEHM Cc1cc([O-])c(CN2CC3(C2)CN(C)C(=O)O3)c(Cl)c1 ZINC000817415434 711662613 /nfs/dbraw/zinc/66/26/13/711662613.db2.gz WZNRGGNNJFIQCU-UHFFFAOYSA-N -1 3 296.754 1.990 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@@H]([C@H](C)O)C2)c(Cl)c1 ZINC000840977713 711820075 /nfs/dbraw/zinc/82/00/75/711820075.db2.gz JLCUGYLRURYOML-IINYFYTJSA-N -1 3 285.771 1.936 10 10 CDCEHM O=C(NCCc1ccc(=O)[nH]c1)c1cccc(O)c1[O-] ZINC001634979717 1166551488 /nfs/dbraw/zinc/55/14/88/1166551488.db2.gz KTBZSHULILQDPQ-UHFFFAOYSA-N -1 3 274.276 1.171 10 10 CDCEHM O=C(Nc1ccc(CO)c(CO)c1)c1cccc(O)c1[O-] ZINC001168329275 909065597 /nfs/dbraw/zinc/06/55/97/909065597.db2.gz FOGQBIVSQWRQBE-UHFFFAOYSA-N -1 3 289.287 1.335 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1=CS(=O)(=O)CCC1 ZINC001558457461 965287110 /nfs/dbraw/zinc/28/71/10/965287110.db2.gz NGFLELAQXBIURL-UHFFFAOYSA-N -1 3 299.323 1.240 10 10 CDCEHM O=C(NN1C[C@H]2CCC[C@@H]2C1)c1cccc(O)c1[O-] ZINC001558872258 965363936 /nfs/dbraw/zinc/36/39/36/965363936.db2.gz KNJQHEMZEBVWJA-NXEZZACHSA-N -1 3 262.309 1.475 10 10 CDCEHM O=C(Nc1cccc2nc[nH]c(=O)c21)c1cccc(O)c1[O-] ZINC001455612089 968750613 /nfs/dbraw/zinc/75/06/13/968750613.db2.gz OQTIMWMREVFDHK-UHFFFAOYSA-N -1 3 297.270 1.999 10 10 CDCEHM [O-]c1cc2c(cc1CN1CC(F)(F)C[C@@H]1CO)OCO2 ZINC000364650971 358470750 /nfs/dbraw/zinc/47/07/50/358470750.db2.gz HQEKHEBHBNZDKX-SECBINFHSA-N -1 3 287.262 1.323 10 10 CDCEHM Cn1nncc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000294039676 370915261 /nfs/dbraw/zinc/91/52/61/370915261.db2.gz WGZLGYZJWWKKSJ-UHFFFAOYSA-N -1 3 270.695 1.603 10 10 CDCEHM Cn1nccc1C1=CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000286356159 368796278 /nfs/dbraw/zinc/79/62/78/368796278.db2.gz PGZHWPLCLRPUJQ-UHFFFAOYSA-N -1 3 299.330 1.761 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([O-])c1O ZINC000245578203 329710226 /nfs/dbraw/zinc/71/02/26/329710226.db2.gz AFPZIIGSXDERTG-LERXQTSPSA-N -1 3 291.347 1.950 10 10 CDCEHM CCn1ncc(CN[C@H]2CCc3cccc([O-])c32)n1 ZINC000527923083 330296085 /nfs/dbraw/zinc/29/60/85/330296085.db2.gz JACBJHSFWPCCQG-LBPRGKRZSA-N -1 3 258.325 1.781 10 10 CDCEHM O=C1NCCC[C@@H]1NCc1c([O-])cccc1Cl ZINC000083552321 527065067 /nfs/dbraw/zinc/06/50/67/527065067.db2.gz FRPYQDZQMYAESB-JTQLQIEISA-N -1 3 254.717 1.414 10 10 CDCEHM COc1cccc([O-])c1CN1CCO[C@]2(CCOC2)C1 ZINC000769554890 575359277 /nfs/dbraw/zinc/35/92/77/575359277.db2.gz BQSREUPPQQQWQX-OAHLLOKOSA-N -1 3 279.336 1.392 10 10 CDCEHM CC(C)OC(=O)CCNC(=O)NCc1c([O-])cccc1F ZINC000913954960 630915599 /nfs/dbraw/zinc/91/55/99/630915599.db2.gz XIWNUMHZXOBOCF-UHFFFAOYSA-N -1 3 298.314 1.672 10 10 CDCEHM COC[C@@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000919508398 632611498 /nfs/dbraw/zinc/61/14/98/632611498.db2.gz FSPNOHGNAIUBPR-VIFPVBQESA-N -1 3 270.304 1.613 10 10 CDCEHM CN(C)Cc1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001625985683 1160683046 /nfs/dbraw/zinc/68/30/46/1160683046.db2.gz LRCCKAPIPJRDGF-UHFFFAOYSA-N -1 3 293.348 1.868 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccn2nccc2n1 ZINC001645050492 1167361765 /nfs/dbraw/zinc/36/17/65/1167361765.db2.gz KECYDFFMPWTWPF-UHFFFAOYSA-N -1 3 286.266 1.504 10 10 CDCEHM COc1cccc([O-])c1C(=O)NCc1cccc(O)c1O ZINC001651175556 1171298289 /nfs/dbraw/zinc/29/82/89/1171298289.db2.gz CBDXCTCXLUPPCB-UHFFFAOYSA-N -1 3 289.287 1.742 10 10 CDCEHM O=C(NC[C@H]1CC[C@H](C2CC2)O1)c1cccc(O)c1[O-] ZINC000722317643 712386937 /nfs/dbraw/zinc/38/69/37/712386937.db2.gz VCLONRXVXMCIBU-ZWNOBZJWSA-N -1 3 277.320 1.785 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](OC(F)F)C1 ZINC000790928175 712395766 /nfs/dbraw/zinc/39/57/66/712395766.db2.gz PBDVSJDVZXKWPN-QMMMGPOBSA-N -1 3 287.262 1.942 10 10 CDCEHM C[C@H](C[S@@](C)=O)N(C)Cc1cccc(F)c1[O-] ZINC000399868424 897109210 /nfs/dbraw/zinc/10/92/10/897109210.db2.gz PCDVMPJAWQKCFR-VVVCHXIZSA-N -1 3 259.346 1.730 10 10 CDCEHM COC[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccccc1[O-] ZINC000692338252 896284439 /nfs/dbraw/zinc/28/44/39/896284439.db2.gz ZIFLLBOHVMSAQG-CQSZACIVSA-N -1 3 265.309 1.458 10 10 CDCEHM COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1[O-] ZINC000692338252 896284457 /nfs/dbraw/zinc/28/44/57/896284457.db2.gz ZIFLLBOHVMSAQG-CQSZACIVSA-N -1 3 265.309 1.458 10 10 CDCEHM O=S(=O)(CC1CCC1)NCc1c([O-])cccc1F ZINC000921452697 914935933 /nfs/dbraw/zinc/93/59/33/914935933.db2.gz WRYNTLFEQDIGJA-UHFFFAOYSA-N -1 3 273.329 1.751 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1=CCOCC1 ZINC000928708560 933174356 /nfs/dbraw/zinc/17/43/56/933174356.db2.gz PBFUBNXBQWENOZ-UHFFFAOYSA-N -1 3 251.257 1.494 10 10 CDCEHM COc1cccc([O-])c1C(=O)NCc1ccc(O)c(O)c1 ZINC001294873199 954574107 /nfs/dbraw/zinc/57/41/07/954574107.db2.gz ZMALMKATZAFKIU-UHFFFAOYSA-N -1 3 289.287 1.742 10 10 CDCEHM [O-]c1cccc(F)c1CNC(=S)NC[C@@H]1CCOC1 ZINC001339334433 962308129 /nfs/dbraw/zinc/30/81/29/962308129.db2.gz YKYCXGWDGIZDDU-VIFPVBQESA-N -1 3 284.356 1.532 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCN[C@@H](c2ccccc2)C1 ZINC001557032824 965135340 /nfs/dbraw/zinc/13/53/40/965135340.db2.gz KGTHQLIUEQHHLE-CQSZACIVSA-N -1 3 298.342 1.885 10 10 CDCEHM CC[C@](C)(NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC001546253131 972971408 /nfs/dbraw/zinc/97/14/08/972971408.db2.gz NJYWMIDBQOKNKO-ZDUSSCGKSA-N -1 3 267.281 1.169 10 10 CDCEHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ncon1 ZINC001652495504 1171444287 /nfs/dbraw/zinc/44/42/87/1171444287.db2.gz MHJSFMWPEFLCES-ZETCQYMHSA-N -1 3 263.253 1.014 10 10 CDCEHM COC(=O)c1cc([O-])c(CN2CCCCC2=O)cc1F ZINC000584597680 346496314 /nfs/dbraw/zinc/49/63/14/346496314.db2.gz XUCURMSZLUZTKP-UHFFFAOYSA-N -1 3 281.283 1.830 10 10 CDCEHM O=C(N[C@@H]1CCC[C@H](CO)C1)c1cccc(O)c1[O-] ZINC000298512436 371484401 /nfs/dbraw/zinc/48/44/01/371484401.db2.gz WASZPDGQRVSUEQ-VHSXEESVSA-N -1 3 265.309 1.379 10 10 CDCEHM Cc1cc([O-])c([C@H]([NH3+])C(=O)[O-])cc1Br ZINC000072196759 176338501 /nfs/dbraw/zinc/33/85/01/176338501.db2.gz HGGWHJBGTGRXDE-QMMMGPOBSA-N -1 3 260.087 1.548 10 10 CDCEHM CO[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000380782111 1160678891 /nfs/dbraw/zinc/67/88/91/1160678891.db2.gz YVWIZCJQIQVBQZ-DTWKUNHWSA-N -1 3 251.282 1.395 10 10 CDCEHM CC(=O)N1CCN(C(=O)c2cc([O-])cs2)[C@@H](C)C1 ZINC000764337336 575900109 /nfs/dbraw/zinc/90/01/09/575900109.db2.gz DAHRFVUHXOAUTF-QMMMGPOBSA-N -1 3 268.338 1.147 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCC12CCOCC2 ZINC000765944821 576064860 /nfs/dbraw/zinc/06/48/60/576064860.db2.gz QVZRHUHXWDRTHH-UHFFFAOYSA-N -1 3 253.323 1.849 10 10 CDCEHM CC[C@@H](C(=O)NCc1c([O-])cccc1F)N1CCCC1=O ZINC000928705218 620504190 /nfs/dbraw/zinc/50/41/90/620504190.db2.gz HQZHIJIDVOLIQG-LBPRGKRZSA-N -1 3 294.326 1.549 10 10 CDCEHM C[C@H]1C[C@@H]1c1noc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000902946237 625630791 /nfs/dbraw/zinc/63/07/91/625630791.db2.gz YZRJZRPTXIFEIE-YUMQZZPRSA-N -1 3 291.282 1.968 10 10 CDCEHM O=C(NCCCn1ccnc1)NCc1c([O-])cccc1F ZINC000905146278 626657351 /nfs/dbraw/zinc/65/73/51/626657351.db2.gz ACNKWCAFAPTRKG-UHFFFAOYSA-N -1 3 292.314 1.617 10 10 CDCEHM O=C(NCCc1cnc(C2CC2)nc1)c1cccc(O)c1[O-] ZINC000790903812 1162176692 /nfs/dbraw/zinc/17/66/92/1162176692.db2.gz BMXPENWJKFIGOC-UHFFFAOYSA-N -1 3 299.330 1.738 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1nccnc1Cl ZINC001646035478 1167619353 /nfs/dbraw/zinc/61/93/53/1167619353.db2.gz WZTLLMUVBCTFHN-UHFFFAOYSA-N -1 3 281.674 1.905 10 10 CDCEHM C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC001570801591 1170282454 /nfs/dbraw/zinc/28/24/54/1170282454.db2.gz AWGWZMBEIXRCIK-BBBLOLIVSA-N -1 3 292.335 1.212 10 10 CDCEHM COC(=O)C12CCC(CC1)N2C(=O)c1cccc(O)c1[O-] ZINC000870735014 1165209846 /nfs/dbraw/zinc/20/98/46/1165209846.db2.gz JOUKMKSNVSPPRL-UHFFFAOYSA-N -1 3 291.303 1.408 10 10 CDCEHM O=C(NCc1ncccn1)NCc1c([O-])cccc1F ZINC001638144069 1166823884 /nfs/dbraw/zinc/82/38/84/1166823884.db2.gz UMNHAOBGLYACIS-UHFFFAOYSA-N -1 3 276.271 1.321 10 10 CDCEHM CNC(=O)N1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840916358 936967973 /nfs/dbraw/zinc/96/79/73/936967973.db2.gz JIEOBSQTNVNGJD-UHFFFAOYSA-N -1 3 297.786 1.811 10 10 CDCEHM O=C(CCC1(O)CCC1)NCc1c([O-])cccc1F ZINC000928705630 933172909 /nfs/dbraw/zinc/17/29/09/933172909.db2.gz KKCDPNJJGKOMQR-UHFFFAOYSA-N -1 3 267.300 1.843 10 10 CDCEHM CON1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928705464 933172988 /nfs/dbraw/zinc/17/29/88/933172988.db2.gz IQMXGWFXPHNCFP-UHFFFAOYSA-N -1 3 282.315 1.421 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000928707839 933174092 /nfs/dbraw/zinc/17/40/92/933174092.db2.gz CSRUCACXMLSSPE-KEMBBXRSSA-N -1 3 263.268 1.373 10 10 CDCEHM C[C@]1(C(=O)NCc2c([O-])cccc2F)CCOC1 ZINC000928707729 933174104 /nfs/dbraw/zinc/17/41/04/933174104.db2.gz HEGOMNSSZPNCBW-ZDUSSCGKSA-N -1 3 253.273 1.574 10 10 CDCEHM O=C(CCOC[C@@H]1CCCO1)NCc1c([O-])cccc1F ZINC000928712575 933174302 /nfs/dbraw/zinc/17/43/02/933174302.db2.gz TVZCNPATWATLRE-NSHDSACASA-N -1 3 297.326 1.733 10 10 CDCEHM NC(=O)CCCCC(=O)NCc1c([O-])cccc1F ZINC000928708357 933174423 /nfs/dbraw/zinc/17/44/23/933174423.db2.gz KCIPQIMBGCAUJS-UHFFFAOYSA-N -1 3 268.288 1.193 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@]1(F)CCOC1 ZINC001119715470 937749927 /nfs/dbraw/zinc/74/99/27/937749927.db2.gz VXDHMIRBXACEFN-LBPRGKRZSA-N -1 3 257.236 1.276 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2C[C@@H]3COC[C@H](C2)O3)c1[O-] ZINC000801588672 935999389 /nfs/dbraw/zinc/99/93/89/935999389.db2.gz CRJFYPOOPFOGCW-BETUJISGSA-N -1 3 295.310 1.334 10 10 CDCEHM O=C(Nc1ccc(-n2nccn2)nc1)c1cccc(O)c1[O-] ZINC001544651437 967374789 /nfs/dbraw/zinc/37/47/89/967374789.db2.gz BBRXSEPWHQZBJB-UHFFFAOYSA-N -1 3 297.274 1.326 10 10 CDCEHM Cn1cnc(CNC(=O)NCc2c([O-])cccc2F)c1 ZINC001471569057 970438453 /nfs/dbraw/zinc/43/84/53/970438453.db2.gz PLGYQMTUZYTNJN-UHFFFAOYSA-N -1 3 278.287 1.264 10 10 CDCEHM CC(C)(C)S(=O)(=O)c1nsc([N-]N=O)n1 ZINC000584658265 346508058 /nfs/dbraw/zinc/50/80/58/346508058.db2.gz SKJAXYFUGZGOJG-UHFFFAOYSA-N -1 3 250.305 1.583 10 10 CDCEHM COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)ccc1[O-] ZINC000125784565 374964377 /nfs/dbraw/zinc/96/43/77/374964377.db2.gz DQFPGTLDANUNRR-NEPJUHHUSA-N -1 3 299.754 1.808 10 10 CDCEHM Cn1cc([C@H](CO)NCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000293540951 378573585 /nfs/dbraw/zinc/57/35/85/378573585.db2.gz GAUUMCIGURHTHS-LBPRGKRZSA-N -1 3 299.733 1.741 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)c([O-])c1O ZINC000249166912 329905324 /nfs/dbraw/zinc/90/53/24/329905324.db2.gz KGVQIOLDKXQOEE-MVWJERBFSA-N -1 3 277.320 1.704 10 10 CDCEHM CCOc1ccc(CNCc2cnn(CC)n2)c([O-])c1 ZINC000527738687 330282567 /nfs/dbraw/zinc/28/25/67/330282567.db2.gz YERLGUAYWHZPJQ-UHFFFAOYSA-N -1 3 276.340 1.692 10 10 CDCEHM Cc1cc(Br)c([O-])c(CNc2ncnn2C)c1 ZINC000767297150 576177028 /nfs/dbraw/zinc/17/70/28/576177028.db2.gz SILFWCGQNLUNMP-UHFFFAOYSA-N -1 3 297.156 1.626 10 10 CDCEHM Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758169894 577076919 /nfs/dbraw/zinc/07/69/19/577076919.db2.gz GTZOFQGMNXKNCT-UHFFFAOYSA-N -1 3 297.311 1.618 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@]12CCOC2 ZINC000928708589 620505955 /nfs/dbraw/zinc/50/59/55/620505955.db2.gz PSDAHKBRQXZDJI-YGRLFVJLSA-N -1 3 265.284 1.574 10 10 CDCEHM COc1ccc(NC(=O)c2cccc(O)c2[O-])nc1 ZINC000790793461 1162172006 /nfs/dbraw/zinc/17/20/06/1162172006.db2.gz VKIIQHARZRJRRI-UHFFFAOYSA-N -1 3 260.249 1.754 10 10 CDCEHM C[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1ccccc1O ZINC000867836313 1164870080 /nfs/dbraw/zinc/87/00/80/1164870080.db2.gz NXQLKNNSKRSWQU-QMMMGPOBSA-N -1 3 292.382 1.015 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1Cc2ccc(O)cc2C1 ZINC001633329629 1166416963 /nfs/dbraw/zinc/41/69/63/1166416963.db2.gz SPZSSZRNUKLIJR-UHFFFAOYSA-N -1 3 271.272 1.959 10 10 CDCEHM COc1cc(NC(=O)c2cccc(O)c2[O-])cnc1OC ZINC001584828740 1172854464 /nfs/dbraw/zinc/85/44/64/1172854464.db2.gz AUVWLFSQOAVGKR-UHFFFAOYSA-N -1 3 290.275 1.762 10 10 CDCEHM COC[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccccc1[O-] ZINC000692338250 896286932 /nfs/dbraw/zinc/28/69/32/896286932.db2.gz ZIFLLBOHVMSAQG-AWEZNQCLSA-N -1 3 265.309 1.458 10 10 CDCEHM COC[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1[O-] ZINC000692338250 896286946 /nfs/dbraw/zinc/28/69/46/896286946.db2.gz ZIFLLBOHVMSAQG-AWEZNQCLSA-N -1 3 265.309 1.458 10 10 CDCEHM CN1CC2(CN(Cc3c([O-])cccc3Cl)C2)OC1=O ZINC001325777820 954071183 /nfs/dbraw/zinc/07/11/83/954071183.db2.gz HDYBPMPPJIBSHD-UHFFFAOYSA-N -1 3 282.727 1.682 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccn(CC(F)F)n1 ZINC001456029283 968850255 /nfs/dbraw/zinc/85/02/55/968850255.db2.gz LRFJRCUIMAFRRL-UHFFFAOYSA-N -1 3 299.252 1.923 10 10 CDCEHM Cn1c(=O)cccc1C(=O)NCc1c([O-])cccc1F ZINC001456030891 968851229 /nfs/dbraw/zinc/85/12/29/968851229.db2.gz SJKQHKAYRBZAML-UHFFFAOYSA-N -1 3 276.267 1.160 10 10 CDCEHM COC[C@H]1CCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000294409751 371059340 /nfs/dbraw/zinc/05/93/40/371059340.db2.gz RALXLTPIKQXQGT-SECBINFHSA-N -1 3 251.282 1.267 10 10 CDCEHM CO[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1C ZINC000275938150 371205483 /nfs/dbraw/zinc/20/54/83/371205483.db2.gz HZYHTDVUKRNKJV-BXKDBHETSA-N -1 3 265.309 1.595 10 10 CDCEHM CCCOc1ccc(CN2CCCN(C)C(=O)C2)c([O-])c1 ZINC000191668884 373509476 /nfs/dbraw/zinc/50/94/76/373509476.db2.gz WKOLQJVFSSLJTA-UHFFFAOYSA-N -1 3 292.379 1.845 10 10 CDCEHM Cc1ccc(C(=O)N2CCN(C3CC3)CC2)c([O-])c1O ZINC000182243199 391232985 /nfs/dbraw/zinc/23/29/85/391232985.db2.gz ZRVZSMCUUJSQJM-UHFFFAOYSA-N -1 3 276.336 1.326 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2CO)c([O-])c1O ZINC000182819650 391245655 /nfs/dbraw/zinc/24/56/55/391245655.db2.gz QNSMJRVNNJQLTE-PWSUYJOCSA-N -1 3 279.336 1.687 10 10 CDCEHM COC(=O)[C@H]1C[C@@H](OC)CN1Cc1cc(F)ccc1[O-] ZINC000180150037 329217893 /nfs/dbraw/zinc/21/78/93/329217893.db2.gz QOMRGEQNFAYEAM-VXGBXAGGSA-N -1 3 283.299 1.294 10 10 CDCEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cnn(C)n2)c1 ZINC000806167431 617308866 /nfs/dbraw/zinc/30/88/66/617308866.db2.gz VVLQSGYUNALZRY-SECBINFHSA-N -1 3 290.323 1.158 10 10 CDCEHM Cc1cc([O-])c(CN(C)C2CS(=O)(=O)C2)c(Cl)c1 ZINC000895400251 619639875 /nfs/dbraw/zinc/63/98/75/619639875.db2.gz ZLIDOJQVGZXXDQ-UHFFFAOYSA-N -1 3 289.784 1.583 10 10 CDCEHM C[C@@H]1C[C@@H]1c1noc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000902946236 625631051 /nfs/dbraw/zinc/63/10/51/625631051.db2.gz YZRJZRPTXIFEIE-SFYZADRCSA-N -1 3 291.282 1.968 10 10 CDCEHM CCOCCNC(=O)NCc1c([O-])cccc1F ZINC000914008177 630954035 /nfs/dbraw/zinc/95/40/35/630954035.db2.gz ZMPYNBVILHMDQD-UHFFFAOYSA-N -1 3 256.277 1.367 10 10 CDCEHM C[C@@H]1C(=O)N(C)CN1Cc1cc(Cl)ccc1[O-] ZINC000843435909 678102140 /nfs/dbraw/zinc/10/21/40/678102140.db2.gz WAQWKILSEGXKRM-MRVPVSSYSA-N -1 3 254.717 1.666 10 10 CDCEHM COC(=O)[C@@H]1CC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705950 678772651 /nfs/dbraw/zinc/77/26/51/678772651.db2.gz MVYCVPKFCXDGPS-VHSXEESVSA-N -1 3 295.310 1.737 10 10 CDCEHM O=C1NCC2(CN(Cc3c([O-])cccc3Cl)C2)O1 ZINC000817416991 678986781 /nfs/dbraw/zinc/98/67/81/678986781.db2.gz QTZPPHRTDWFUOL-UHFFFAOYSA-N -1 3 268.700 1.340 10 10 CDCEHM C[C@H]1CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000922824092 679480773 /nfs/dbraw/zinc/48/07/73/679480773.db2.gz YDQKUKCPCNOELC-UWVGGRQHSA-N -1 3 282.315 1.898 10 10 CDCEHM [O-]c1c(Cl)cccc1CN1CCOC2(CNC2)C1 ZINC000853249190 679555270 /nfs/dbraw/zinc/55/52/70/679555270.db2.gz OHFLATQMFZGXIU-UHFFFAOYSA-N -1 3 268.744 1.220 10 10 CDCEHM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1cccc(O)c1[O-] ZINC000855919457 679579563 /nfs/dbraw/zinc/57/95/63/679579563.db2.gz DBJZWSWBNJSPDK-WDEREUQCSA-N -1 3 263.293 1.131 10 10 CDCEHM COc1cc(C(=O)NCc2c([O-])cccc2F)ncn1 ZINC001635366583 1166580984 /nfs/dbraw/zinc/58/09/84/1166580984.db2.gz CQSZSHKQZXTUID-UHFFFAOYSA-N -1 3 277.255 1.260 10 10 CDCEHM Cc1ccncc1CCNC(=O)c1cccc(O)c1[O-] ZINC001583998003 1172791933 /nfs/dbraw/zinc/79/19/33/1172791933.db2.gz DNXSZEWEZJMSIM-UHFFFAOYSA-N -1 3 272.304 1.774 10 10 CDCEHM Cc1cc(C(=O)NCc2c([O-])cccc2F)ncn1 ZINC001646033750 1167617916 /nfs/dbraw/zinc/61/79/16/1167617916.db2.gz DGZRUCHVZKTBOS-UHFFFAOYSA-N -1 3 261.256 1.560 10 10 CDCEHM Nc1nc(NCc2c([O-])cccc2F)ncc1[N+](=O)[O-] ZINC001559284617 965427425 /nfs/dbraw/zinc/42/74/25/965427425.db2.gz KRZZZWKFRPPPQW-UHFFFAOYSA-N -1 3 279.231 1.424 10 10 CDCEHM Cc1ccc(C(=O)Nc2cnc3nccn3c2)c([O-])c1O ZINC001470329110 970317037 /nfs/dbraw/zinc/31/70/37/970317037.db2.gz YFPAWQIPGRUZIV-UHFFFAOYSA-N -1 3 284.275 1.701 10 10 CDCEHM CC1(C)OCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000295993185 357592693 /nfs/dbraw/zinc/59/26/93/357592693.db2.gz UWGOOLMYRYAKPI-JTQLQIEISA-N -1 3 251.282 1.395 10 10 CDCEHM COC(=O)N1CC(NCc2cc(Cl)c(F)cc2[O-])C1 ZINC000293583181 370699093 /nfs/dbraw/zinc/69/90/93/370699093.db2.gz JVMQRBBXXCCMOM-UHFFFAOYSA-N -1 3 288.706 1.725 10 10 CDCEHM NC(=O)N[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000271404918 364982787 /nfs/dbraw/zinc/98/27/87/364982787.db2.gz WKQADAHIMONYFV-QMMMGPOBSA-N -1 3 269.732 1.288 10 10 CDCEHM CCc1noc(C)c1CNC(=O)c1cccc(O)c1[O-] ZINC000294079074 370932967 /nfs/dbraw/zinc/93/29/67/370932967.db2.gz RWEKGBBQEJPIJZ-UHFFFAOYSA-N -1 3 276.292 1.887 10 10 CDCEHM Cc1ccc(C(=O)NCC2(C)COC2)c([O-])c1O ZINC000182436116 391234833 /nfs/dbraw/zinc/23/48/33/391234833.db2.gz MMRSRFVLWMDKKV-UHFFFAOYSA-N -1 3 251.282 1.173 10 10 CDCEHM Cc1noc(CCNC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000179462738 391206660 /nfs/dbraw/zinc/20/66/60/391206660.db2.gz SQQXCYWWOAHNOL-UHFFFAOYSA-N -1 3 277.280 1.070 10 10 CDCEHM CN1CCCN(c2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC000020527161 171240290 /nfs/dbraw/zinc/24/02/90/171240290.db2.gz VAHUYKBUMJNQRQ-VMPITWQZSA-N -1 3 260.337 1.926 10 10 CDCEHM COc1ccc([C@@H](NCC(N)=O)c2ccccc2)c([O-])c1 ZINC000021964506 171343450 /nfs/dbraw/zinc/34/34/50/171343450.db2.gz FYRTUYMFAJLING-INIZCTEOSA-N -1 3 286.331 1.565 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000126493617 260353576 /nfs/dbraw/zinc/35/35/76/260353576.db2.gz QUQPGUFRMJZMRY-BZNIZROVSA-N -1 3 291.347 1.865 10 10 CDCEHM COc1c([O-])c(CNCc2ccnn2C)ccc1[N+](=O)[O-] ZINC000278829060 521880214 /nfs/dbraw/zinc/88/02/14/521880214.db2.gz ILNDKANIAFQUMC-UHFFFAOYSA-N -1 3 292.295 1.332 10 10 CDCEHM Cc1ccc(C(=O)N2CCCC[C@H]2CC(N)=O)c([O-])c1O ZINC000770480517 575455042 /nfs/dbraw/zinc/45/50/42/575455042.db2.gz AHFNKICZDRPMJT-JTQLQIEISA-N -1 3 292.335 1.276 10 10 CDCEHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2O)o1 ZINC000773303505 575800000 /nfs/dbraw/zinc/80/00/00/575800000.db2.gz XJWVDZJFEBODJF-UHFFFAOYSA-N -1 3 267.306 1.772 10 10 CDCEHM C[C@@H](CCNC(=O)c1cc([O-])cs1)[S@@](C)=O ZINC000764758297 575944721 /nfs/dbraw/zinc/94/47/21/575944721.db2.gz SDAOXCMYCLXGJS-HYORBCNSSA-N -1 3 261.368 1.341 10 10 CDCEHM [O-]c1c(F)cc(Cl)cc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895652196 619788545 /nfs/dbraw/zinc/78/85/45/619788545.db2.gz GDYQWKSSLMYZKD-PRHODGIISA-N -1 3 257.692 1.751 10 10 CDCEHM CCc1cc(CNC(=O)NCc2c([O-])cccc2F)[nH]n1 ZINC000919571007 632630014 /nfs/dbraw/zinc/63/00/14/632630014.db2.gz QGPILYLJUQXJFC-UHFFFAOYSA-N -1 3 292.314 1.816 10 10 CDCEHM CC(C)(CCC(=O)NCc1c([O-])cccc1F)[N+](=O)[O-] ZINC000928706873 679804774 /nfs/dbraw/zinc/80/47/74/679804774.db2.gz YECNVCLFIQRCPS-UHFFFAOYSA-N -1 3 284.287 1.983 10 10 CDCEHM C[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)[C@@H](C)O1 ZINC000923614473 679863481 /nfs/dbraw/zinc/86/34/81/679863481.db2.gz JRMATIFXGHRRDL-LNLATYFQSA-N -1 3 282.315 1.896 10 10 CDCEHM Cc1cc([O-])c(CN(C)CC(=O)N(C)C)c(Cl)c1 ZINC000840909233 682055797 /nfs/dbraw/zinc/05/57/97/682055797.db2.gz DJZGSTDVEOBBND-UHFFFAOYSA-N -1 3 270.760 1.874 10 10 CDCEHM CC(C)(C)C(=O)C(=O)NCc1c([O-])cccc1F ZINC000928704839 682500479 /nfs/dbraw/zinc/50/04/79/682500479.db2.gz FMGDTFLULFJRON-UHFFFAOYSA-N -1 3 253.273 1.763 10 10 CDCEHM CC(C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452098 682726412 /nfs/dbraw/zinc/72/64/12/682726412.db2.gz DCCRMYRDOVMDRX-UHFFFAOYSA-N -1 3 261.318 1.607 10 10 CDCEHM C[C@](O)(CC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000928705598 683760685 /nfs/dbraw/zinc/76/06/85/683760685.db2.gz LURUYVIWNXBDMQ-AWEZNQCLSA-N -1 3 267.300 1.699 10 10 CDCEHM O=C(c1c([O-])c(O)ccc1F)N1CCN2CCC1CC2 ZINC000830155294 683983027 /nfs/dbraw/zinc/98/30/27/683983027.db2.gz DWTPQYYRYRZKPY-UHFFFAOYSA-N -1 3 280.299 1.157 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1Cc2ccncc2C1 ZINC001449136076 967371081 /nfs/dbraw/zinc/37/10/81/967371081.db2.gz HGPQSAUSPLGXPE-UHFFFAOYSA-N -1 3 256.261 1.649 10 10 CDCEHM Cc1cn(C)nc1C(=O)NCc1c([O-])cccc1F ZINC001471975924 970526960 /nfs/dbraw/zinc/52/69/60/970526960.db2.gz MUWRCOYKQYZCJH-UHFFFAOYSA-N -1 3 263.272 1.503 10 10 CDCEHM CC(=O)c1cc(F)cc(CN(C)CCCO)c1[O-] ZINC000282024587 367711677 /nfs/dbraw/zinc/71/16/77/367711677.db2.gz YUQJNBZRYROUHS-UHFFFAOYSA-N -1 3 255.289 1.548 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1C[C@H]2CCC[C@@H](C1)C2O ZINC000193139186 373682747 /nfs/dbraw/zinc/68/27/47/373682747.db2.gz QZEXYLOFPYQAFH-HWYHXSKPSA-N -1 3 277.320 1.331 10 10 CDCEHM CC[C@H]1CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000294131236 378615066 /nfs/dbraw/zinc/61/50/66/378615066.db2.gz UBPDUHMCOACMCX-JTQLQIEISA-N -1 3 298.364 1.388 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H]2CCCC[C@@H]21 ZINC000126349678 260350679 /nfs/dbraw/zinc/35/06/79/260350679.db2.gz YXWCYYCSBMKPJO-WCQYABFASA-N -1 3 277.320 1.881 10 10 CDCEHM O=C(CNCc1cc(Cl)c(F)cc1[O-])NC1CC1 ZINC000297412767 526882630 /nfs/dbraw/zinc/88/26/30/526882630.db2.gz LPLZGOQMJFOPJJ-UHFFFAOYSA-N -1 3 272.707 1.553 10 10 CDCEHM NC(=O)C1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000732286913 575087028 /nfs/dbraw/zinc/08/70/28/575087028.db2.gz KTZDLUUIHNVEPH-UHFFFAOYSA-N -1 3 268.338 1.228 10 10 CDCEHM c1cc(CNC2(c3nn[n-]n3)CCCC2)cc2c1OCC2 ZINC000735408732 575465612 /nfs/dbraw/zinc/46/56/12/575465612.db2.gz WSODGLAOPPEMOH-UHFFFAOYSA-N -1 3 285.351 1.694 10 10 CDCEHM c1cc(CNC2(c3nnn[n-]3)CCCC2)cc2c1OCC2 ZINC000735408732 575465615 /nfs/dbraw/zinc/46/56/15/575465615.db2.gz WSODGLAOPPEMOH-UHFFFAOYSA-N -1 3 285.351 1.694 10 10 CDCEHM CCC(=O)C1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928705471 620503639 /nfs/dbraw/zinc/50/36/39/620503639.db2.gz IUKLFLXBMOTHAY-UHFFFAOYSA-N -1 3 265.284 1.907 10 10 CDCEHM C[C@H](CC(=O)NCc1c([O-])cccc1F)n1ccnc1 ZINC000928705930 620504692 /nfs/dbraw/zinc/50/46/92/620504692.db2.gz MOYPNKRABNOIRH-SNVBAGLBSA-N -1 3 277.299 1.995 10 10 CDCEHM CCC/C=C\[C@@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928710514 620506732 /nfs/dbraw/zinc/50/67/32/620506732.db2.gz UFHPURAECYEWSX-LLPBQKLSSA-N -1 3 267.300 1.865 10 10 CDCEHM Cn1ncc(CNCc2cc(Cl)ccc2[O-])n1 ZINC000389837412 684596414 /nfs/dbraw/zinc/59/64/14/684596414.db2.gz QKLJXUOZKYBZHJ-UHFFFAOYSA-N -1 3 252.705 1.464 10 10 CDCEHM COc1c([O-])c(CNCc2ccn(C)n2)ccc1[N+](=O)[O-] ZINC000775040152 684834272 /nfs/dbraw/zinc/83/42/72/684834272.db2.gz QHKVRQVOXGCMSE-UHFFFAOYSA-N -1 3 292.295 1.332 10 10 CDCEHM NC(=O)CN(Cc1ccc(F)c(F)c1[O-])C1CCCC1 ZINC000703490200 684865768 /nfs/dbraw/zinc/86/57/68/684865768.db2.gz KLFURBUOIXAWOK-UHFFFAOYSA-N -1 3 284.306 1.900 10 10 CDCEHM O=C(NCC1=CCCOC1)NCc1c([O-])cccc1F ZINC000922488464 685104153 /nfs/dbraw/zinc/10/41/53/685104153.db2.gz QOPZKBWAKGNCNU-UHFFFAOYSA-N -1 3 280.299 1.677 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H](O)CC12CCC2 ZINC000857291543 685908592 /nfs/dbraw/zinc/90/85/92/685908592.db2.gz GETOLXIWGZOBJR-JTQLQIEISA-N -1 3 277.320 1.617 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCn3nncc3C2)c1[O-] ZINC000847016527 687495477 /nfs/dbraw/zinc/49/54/77/687495477.db2.gz DGAHCMNAVAITDS-UHFFFAOYSA-N -1 3 290.298 1.341 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC2=C(CCC(=O)N2)C1 ZINC000855153621 688050776 /nfs/dbraw/zinc/05/07/76/688050776.db2.gz CDIILAWUOOOMKA-UHFFFAOYSA-N -1 3 288.303 1.108 10 10 CDCEHM O=C(Nc1cccc2c1CCNC2=O)c1cccc(O)c1[O-] ZINC001626450603 1165940021 /nfs/dbraw/zinc/94/00/21/1165940021.db2.gz CREVJMZEQOYCII-UHFFFAOYSA-N -1 3 298.298 1.636 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cc([N+](=O)[O-])c[nH]1 ZINC001645048426 1167361801 /nfs/dbraw/zinc/36/18/01/1167361801.db2.gz VOPVNXMZRWAFJK-UHFFFAOYSA-N -1 3 279.227 1.698 10 10 CDCEHM Cc1ncc(C(=O)NCc2c([O-])cccc2F)n1C ZINC001638862885 1166881108 /nfs/dbraw/zinc/88/11/08/1166881108.db2.gz HHDBBTNJMTZNLY-UHFFFAOYSA-N -1 3 263.272 1.503 10 10 CDCEHM CC1(C)CC[C@@H](O)[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001335766141 960017340 /nfs/dbraw/zinc/01/73/40/960017340.db2.gz CORYMUIECLEKHJ-GHMZBOCLSA-N -1 3 279.336 1.767 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC12CCOCC2 ZINC000365345446 359358968 /nfs/dbraw/zinc/35/89/68/359358968.db2.gz RYZBIJOVDWDGBN-UHFFFAOYSA-N -1 3 263.293 1.493 10 10 CDCEHM O=C(N[C@H]1CCc2nc[nH]c2C1)c1cccc(O)c1[O-] ZINC000366151628 361039687 /nfs/dbraw/zinc/03/96/87/361039687.db2.gz LVGUFGBVONFZDL-QMMMGPOBSA-N -1 3 273.292 1.108 10 10 CDCEHM COc1nccnc1CN(C)Cc1ccccc1[O-] ZINC000294917624 371106031 /nfs/dbraw/zinc/10/60/31/371106031.db2.gz SXRCLXAXBIVURS-UHFFFAOYSA-N -1 3 259.309 1.823 10 10 CDCEHM COC[C@H]1CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000293668981 378597237 /nfs/dbraw/zinc/59/72/37/378597237.db2.gz OPRGOVLDCYWTGG-SNVBAGLBSA-N -1 3 282.296 1.530 10 10 CDCEHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCCNC2=O)c1 ZINC000296352888 378726349 /nfs/dbraw/zinc/72/63/49/378726349.db2.gz IJFJQPYPIGKZDS-CABZTGNLSA-N -1 3 292.335 1.108 10 10 CDCEHM C[C@H](CCNC(=O)c1cc([O-])cs1)[S@@](C)=O ZINC000764758299 575944842 /nfs/dbraw/zinc/94/48/42/575944842.db2.gz SDAOXCMYCLXGJS-VGDKGRGNSA-N -1 3 261.368 1.341 10 10 CDCEHM COC(=O)[C@H](NC(=O)c1cc([O-])cs1)C(C)(C)C ZINC000763070997 576708864 /nfs/dbraw/zinc/70/88/64/576708864.db2.gz GCFFGLVQYAXMRC-VIFPVBQESA-N -1 3 271.338 1.771 10 10 CDCEHM COCCCOC1CN(C(=O)c2cc([O-])cs2)C1 ZINC000748423045 576910748 /nfs/dbraw/zinc/91/07/48/576910748.db2.gz LAEAOTCLUQPICD-UHFFFAOYSA-N -1 3 271.338 1.331 10 10 CDCEHM CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709629 620506198 /nfs/dbraw/zinc/50/61/98/620506198.db2.gz KFAPQJXQJJJMGC-VHSXEESVSA-N -1 3 295.310 1.737 10 10 CDCEHM O=C(C1=CC(=O)CS1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898212059 621366382 /nfs/dbraw/zinc/36/63/82/621366382.db2.gz BLECMJUJAOFKPO-SSDOTTSWSA-N -1 3 279.321 1.512 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCOC1 ZINC000917116287 632155442 /nfs/dbraw/zinc/15/54/42/632155442.db2.gz KREDBZBWFHVGQX-VIFPVBQESA-N -1 3 268.288 1.510 10 10 CDCEHM CCOC(=O)C1=CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000862878319 693892245 /nfs/dbraw/zinc/89/22/45/693892245.db2.gz JMHVDBQOZZOMHR-SNVBAGLBSA-N -1 3 291.303 1.480 10 10 CDCEHM CO[C@]1(CNC(=O)NCc2c([O-])cccc2F)CCOC1 ZINC000921983965 692319916 /nfs/dbraw/zinc/31/99/16/692319916.db2.gz XIGJNWRIOJQDTK-AWEZNQCLSA-N -1 3 298.314 1.136 10 10 CDCEHM CNC(=O)[C@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000133601667 692542211 /nfs/dbraw/zinc/54/22/11/692542211.db2.gz WIXRJROQUARADH-LLVKDONJSA-N -1 3 268.744 1.756 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000790901255 693164978 /nfs/dbraw/zinc/16/49/78/693164978.db2.gz NDFMAEHHEGWPLQ-NWDGAFQWSA-N -1 3 291.347 1.987 10 10 CDCEHM C[C@H]1C[C@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000792534427 693404738 /nfs/dbraw/zinc/40/47/38/693404738.db2.gz RHIYSAYLWBSYCH-IUCAKERBSA-N -1 3 298.364 1.387 10 10 CDCEHM Cc1cc(CN(C)C(=O)c2cccc(O)c2[O-])no1 ZINC000186904265 694733531 /nfs/dbraw/zinc/73/35/31/694733531.db2.gz NZAGDSRPNLLWDA-UHFFFAOYSA-N -1 3 262.265 1.666 10 10 CDCEHM Cc1cnc(CCNC(=O)c2cccc(O)c2[O-])cn1 ZINC001625994530 1160705887 /nfs/dbraw/zinc/70/58/87/1160705887.db2.gz BUGHLTYYGHMDKX-UHFFFAOYSA-N -1 3 273.292 1.169 10 10 CDCEHM COc1cncc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001584635428 1172839426 /nfs/dbraw/zinc/83/94/26/1172839426.db2.gz BLDDIBZJTCZVDP-UHFFFAOYSA-N -1 3 261.237 1.149 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1csc(=O)[nH]1 ZINC001596911623 1174248890 /nfs/dbraw/zinc/24/88/90/1174248890.db2.gz IIKXPYZDMFTZCS-UHFFFAOYSA-N -1 3 268.269 1.623 10 10 CDCEHM O=C(NCc1ccns1)c1cccc(O)c1[O-] ZINC000404512665 1186521985 /nfs/dbraw/zinc/52/19/85/1186521985.db2.gz RTWLDOMNDHBVBF-UHFFFAOYSA-N -1 3 250.279 1.484 10 10 CDCEHM CC(C)N(Cc1c([O-])ccc(Cl)c1F)C[C@H](O)CO ZINC000817417629 723213602 /nfs/dbraw/zinc/21/36/02/723213602.db2.gz LYYWKXUBMAWEEA-VIFPVBQESA-N -1 3 291.750 1.748 10 10 CDCEHM CC1(C)CO[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000717512975 1166553851 /nfs/dbraw/zinc/55/38/51/1166553851.db2.gz OXLWQTDASKSSOG-VIFPVBQESA-N -1 3 265.309 1.643 10 10 CDCEHM Cn1nccc1[C@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000839178041 905088985 /nfs/dbraw/zinc/08/89/85/905088985.db2.gz AFZRIMMYSHBAGL-JTQLQIEISA-N -1 3 299.733 1.741 10 10 CDCEHM CCOC(=O)NCCC(=O)NCc1c([O-])cccc1F ZINC000928711634 933174201 /nfs/dbraw/zinc/17/42/01/933174201.db2.gz KCUAPVULZYHSIU-UHFFFAOYSA-N -1 3 284.287 1.284 10 10 CDCEHM COc1c[nH]c(C(=O)NCc2c([O-])cccc2F)cc1=O ZINC001456031471 968851186 /nfs/dbraw/zinc/85/11/86/968851186.db2.gz XLUXGLZYOIWTAG-UHFFFAOYSA-N -1 3 292.266 1.158 10 10 CDCEHM Cn1cc([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)cn1 ZINC000193074464 358262817 /nfs/dbraw/zinc/26/28/17/358262817.db2.gz BKDHXKPFGNGIOP-SNVBAGLBSA-N -1 3 287.319 1.461 10 10 CDCEHM CN(Cc1c([O-])cccc1Cl)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295170220 371139303 /nfs/dbraw/zinc/13/93/03/371139303.db2.gz UDYGDEGHFCPGRF-HIFRSBDPSA-N -1 3 296.798 1.951 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCCN(C2CC2)CC1 ZINC000192993034 373663771 /nfs/dbraw/zinc/66/37/71/373663771.db2.gz UWGCEJHJSLQRMH-UHFFFAOYSA-N -1 3 276.336 1.408 10 10 CDCEHM CCn1ncc(CN[C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000527925081 330296301 /nfs/dbraw/zinc/29/63/01/330296301.db2.gz UGYSETBNCOYWEV-VIFPVBQESA-N -1 3 264.304 1.994 10 10 CDCEHM CC(C)C[C@H](CO)N(C)C(=O)c1cccc(O)c1[O-] ZINC000280433699 519357725 /nfs/dbraw/zinc/35/77/25/519357725.db2.gz JSVAUQGEHSTIOQ-SNVBAGLBSA-N -1 3 267.325 1.577 10 10 CDCEHM COC(=O)[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000732273829 575085489 /nfs/dbraw/zinc/08/54/89/575085489.db2.gz KDJZAUQXPPVRBF-ZETCQYMHSA-N -1 3 255.295 1.089 10 10 CDCEHM Cn1cc(CC2CN(C(=O)c3cccc(O)c3[O-])C2)cn1 ZINC000899007238 622017680 /nfs/dbraw/zinc/01/76/80/622017680.db2.gz JPENRMROLYRKPF-UHFFFAOYSA-N -1 3 287.319 1.146 10 10 CDCEHM C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928709799 695661500 /nfs/dbraw/zinc/66/15/00/695661500.db2.gz LUJVGJPROYLDGL-VIFPVBQESA-N -1 3 296.342 1.698 10 10 CDCEHM CO[C@H](C(=O)NCc1c([O-])cccc1F)[C@@H]1CCOC1 ZINC000928706998 695818007 /nfs/dbraw/zinc/81/80/07/695818007.db2.gz ZMLZECMILHPJIQ-RNCFNFMXSA-N -1 3 283.299 1.199 10 10 CDCEHM CC[C@@H]1OCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000830180013 695881626 /nfs/dbraw/zinc/88/16/26/695881626.db2.gz GAUHTHJCPUGJRC-RNCFNFMXSA-N -1 3 267.300 1.963 10 10 CDCEHM Cc1cc([O-])c(CN2C[C@@H]3COC[C@H](C2)O3)cc1Cl ZINC000825784873 1165721975 /nfs/dbraw/zinc/72/19/75/1165721975.db2.gz QVCYEGPARGPFBN-TXEJJXNPSA-N -1 3 283.755 1.954 10 10 CDCEHM Nc1cccnc1C(=O)NCc1c([O-])cccc1F ZINC001638867012 1166880834 /nfs/dbraw/zinc/88/08/34/1166880834.db2.gz XYPNQJPSGDWRIT-UHFFFAOYSA-N -1 3 261.256 1.439 10 10 CDCEHM CC[C@H]1[C@@H](CO)CCN1C(=O)c1cccc(O)c1[O-] ZINC000395067558 723722290 /nfs/dbraw/zinc/72/22/90/723722290.db2.gz BVFZVVKVWMLRFA-KOLCDFICSA-N -1 3 265.309 1.331 10 10 CDCEHM C[C@@H]1C[C@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000792534420 723805631 /nfs/dbraw/zinc/80/56/31/723805631.db2.gz RHIYSAYLWBSYCH-DTORHVGOSA-N -1 3 298.364 1.387 10 10 CDCEHM CC[C@H](O)[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712613 724056979 /nfs/dbraw/zinc/05/69/79/724056979.db2.gz SOFXTYQDWNIBQC-KCJUWKMLSA-N -1 3 255.289 1.555 10 10 CDCEHM CCNC(=O)[C@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000703330388 724333706 /nfs/dbraw/zinc/33/37/06/724333706.db2.gz XFQKKVMBMDIMES-ZETCQYMHSA-N -1 3 258.268 1.285 10 10 CDCEHM O=C(/C=C\[C@@H]1CCCO1)NCc1c([O-])cccc1F ZINC000928705286 724487412 /nfs/dbraw/zinc/48/74/12/724487412.db2.gz FUWYCNWJNNDDBA-GFVADAIESA-N -1 3 265.284 1.883 10 10 CDCEHM C[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1c([O-])cccc1F ZINC000928711123 725215374 /nfs/dbraw/zinc/21/53/74/725215374.db2.gz DULMXQOEUBVYJV-MNOVXSKESA-N -1 3 297.326 1.732 10 10 CDCEHM COC[C@@]1(C(=O)OC)CCCN1Cc1cc(F)ccc1[O-] ZINC000827489464 725325294 /nfs/dbraw/zinc/32/52/94/725325294.db2.gz RHLUMKNPXXOXEF-OAHLLOKOSA-N -1 3 297.326 1.685 10 10 CDCEHM COc1cnccc1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000189658322 725375800 /nfs/dbraw/zinc/37/58/00/725375800.db2.gz LTKYGYQQMHNWGA-VIFPVBQESA-N -1 3 288.303 1.992 10 10 CDCEHM CCC(=O)N1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000823497702 725381932 /nfs/dbraw/zinc/38/19/32/725381932.db2.gz KSUACHGSYBPWNY-UHFFFAOYSA-N -1 3 294.326 1.746 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](C2CCC2)C1 ZINC000839809075 725500654 /nfs/dbraw/zinc/50/06/54/725500654.db2.gz VWZOSGREXYPPOY-ZDUSSCGKSA-N -1 3 277.320 1.739 10 10 CDCEHM O=C(Nc1cnccc1CO)c1cccc(O)c1[O-] ZINC001137557934 936363739 /nfs/dbraw/zinc/36/37/39/936363739.db2.gz WOOMULBUCNMJTL-UHFFFAOYSA-N -1 3 260.249 1.237 10 10 CDCEHM COc1cncc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC001557506413 965180651 /nfs/dbraw/zinc/18/06/51/965180651.db2.gz OYANYAVJECFJTK-UHFFFAOYSA-N -1 3 275.264 1.457 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2ncon2)C1 ZINC001558450399 965285917 /nfs/dbraw/zinc/28/59/17/965285917.db2.gz RATYDEBWIKIRDW-SECBINFHSA-N -1 3 289.291 1.501 10 10 CDCEHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)NCCF ZINC000294767575 371088905 /nfs/dbraw/zinc/08/89/05/371088905.db2.gz SPYGKFVJLZGRSA-SSDOTTSWSA-N -1 3 292.713 1.749 10 10 CDCEHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccnn1C ZINC000774160433 575185798 /nfs/dbraw/zinc/18/57/98/575185798.db2.gz GDFDFPUWUZAUDF-SECBINFHSA-N -1 3 276.296 1.885 10 10 CDCEHM COC(=O)/C(C)=C/COC(=O)c1cc([O-])cs1 ZINC000748191943 576900652 /nfs/dbraw/zinc/90/06/52/576900652.db2.gz UHFYHXYRORGUDS-XVNBXDOJSA-N -1 3 256.279 1.730 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2ncccn2)C1 ZINC000899524601 622298526 /nfs/dbraw/zinc/29/85/26/622298526.db2.gz OIENGTOYRZCSGF-NSHDSACASA-N -1 3 299.330 1.908 10 10 CDCEHM CCN(Cc1cnn(C)c1)C(=O)c1cccc(O)c1[O-] ZINC000192990087 1184546513 /nfs/dbraw/zinc/54/65/13/1184546513.db2.gz IOAFQUGPDIQJDZ-UHFFFAOYSA-N -1 3 275.308 1.494 10 10 CDCEHM CC(C)(C)OC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000707136225 726416184 /nfs/dbraw/zinc/41/61/84/726416184.db2.gz CDVSKAXRWQOBTN-UHFFFAOYSA-N -1 3 265.309 1.737 10 10 CDCEHM CO[C@@H]1CC[C@@H]1N(C)C(=O)c1cccc(O)c1[O-] ZINC000724127247 727428998 /nfs/dbraw/zinc/42/89/98/727428998.db2.gz GUBGIWIRHORDRW-GXSJLCMTSA-N -1 3 251.282 1.347 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC=C[C@@H]2CO)c1[O-] ZINC000880487197 727795565 /nfs/dbraw/zinc/79/55/65/727795565.db2.gz SVOCOGZVERDUHE-GFCCVEGCSA-N -1 3 265.284 1.467 10 10 CDCEHM CSCCCCNC(=O)c1cccc(O)c1[O-] ZINC000126551522 727797323 /nfs/dbraw/zinc/79/73/23/727797323.db2.gz KNKLUQPSGQPFJH-UHFFFAOYSA-N -1 3 255.339 1.971 10 10 CDCEHM COC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000837170335 936831349 /nfs/dbraw/zinc/83/13/49/936831349.db2.gz FGVUQJBLGYLZLT-NSHDSACASA-N -1 3 279.336 1.987 10 10 CDCEHM COC(=O)N(C)CCNC(=O)NCc1c([O-])cccc1F ZINC000923309060 923736714 /nfs/dbraw/zinc/73/67/14/923736714.db2.gz PYEIPFGRKLWXJR-UHFFFAOYSA-N -1 3 299.302 1.029 10 10 CDCEHM CO[C@@H](C)CN(C(=O)c1cccc(O)c1[O-])C(C)C ZINC000688049838 934528829 /nfs/dbraw/zinc/52/88/29/934528829.db2.gz LEUZGIBEOHFWDS-JTQLQIEISA-N -1 3 267.325 1.983 10 10 CDCEHM O=C(NCCC(F)F)NCc1c([O-])cccc1F ZINC001346656714 965197926 /nfs/dbraw/zinc/19/79/26/965197926.db2.gz WWRXGIXRQQFLNG-UHFFFAOYSA-N -1 3 262.231 1.986 10 10 CDCEHM NC(=O)CC1(NC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC001558735455 965346667 /nfs/dbraw/zinc/34/66/67/965346667.db2.gz LSQGWCQNSDAABX-UHFFFAOYSA-N -1 3 292.335 1.406 10 10 CDCEHM O=[N+]([O-])c1cnc(NCc2c([O-])cccc2F)nc1 ZINC001655876008 1171733383 /nfs/dbraw/zinc/73/33/83/1171733383.db2.gz LMTVPUYELMTZMR-UHFFFAOYSA-N -1 3 264.216 1.842 10 10 CDCEHM CC(=O)c1cc(F)cc(CN(C)CC2(CO)CC2)c1[O-] ZINC000186822182 262111457 /nfs/dbraw/zinc/11/14/57/262111457.db2.gz GTKFHTSEOLHYQQ-UHFFFAOYSA-N -1 3 281.327 1.938 10 10 CDCEHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000126192388 524540460 /nfs/dbraw/zinc/54/04/60/524540460.db2.gz RATKMQFSSPCLFE-IUCAKERBSA-N -1 3 251.282 1.347 10 10 CDCEHM O=C(NCCCCN1CCOCC1)c1cc([O-])cs1 ZINC000731871882 575067661 /nfs/dbraw/zinc/06/76/61/575067661.db2.gz PJCDZEVTNSNZDK-UHFFFAOYSA-N -1 3 284.381 1.296 10 10 CDCEHM CC(C)N1C(=O)CN(C(=O)c2cc([O-])cs2)CC1(C)C ZINC000743745538 576652927 /nfs/dbraw/zinc/65/29/27/576652927.db2.gz BEJYQQHIOPZLRF-UHFFFAOYSA-N -1 3 296.392 1.925 10 10 CDCEHM Cc1cc([O-])c(CN(C)[C@H]2CCNC2=O)c(Cl)c1 ZINC000840920285 617712632 /nfs/dbraw/zinc/71/26/32/617712632.db2.gz FBYBQYAGGYPNOG-NSHDSACASA-N -1 3 268.744 1.674 10 10 CDCEHM COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(F)ccc1[O-] ZINC000895866580 619880812 /nfs/dbraw/zinc/88/08/12/619880812.db2.gz XXEPYELHOHFIJW-QWHCGFSZSA-N -1 3 297.326 1.732 10 10 CDCEHM C[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccnn1C ZINC000928705555 620503479 /nfs/dbraw/zinc/50/34/79/620503479.db2.gz JUORKEPSDJBRJK-SECBINFHSA-N -1 3 277.299 1.685 10 10 CDCEHM CCC1(NC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000389547965 1158754511 /nfs/dbraw/zinc/75/45/11/1158754511.db2.gz OVEKAMDWJFCLQO-UHFFFAOYSA-N -1 3 265.309 1.787 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC(c2ncon2)CC1 ZINC001638817743 1166874959 /nfs/dbraw/zinc/87/49/59/1166874959.db2.gz YZLWLKLVYSDDGW-UHFFFAOYSA-N -1 3 289.291 1.501 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1CCC(O)CC1 ZINC000928707682 728890980 /nfs/dbraw/zinc/89/09/80/728890980.db2.gz GLJKWELLZPSLCH-UHFFFAOYSA-N -1 3 267.300 1.699 10 10 CDCEHM CNC(=O)Cn1cc(NCc2cccc(F)c2[O-])cn1 ZINC000165028845 728506113 /nfs/dbraw/zinc/50/61/13/728506113.db2.gz JRFPFRUHADHQDK-UHFFFAOYSA-N -1 3 278.287 1.086 10 10 CDCEHM CCc1cc(C(=O)NCc2c([O-])cccc2F)n(C)n1 ZINC000928709800 729069389 /nfs/dbraw/zinc/06/93/89/729069389.db2.gz LUUPLLNVGPIPNO-UHFFFAOYSA-N -1 3 277.299 1.757 10 10 CDCEHM CC1(C)C[C@@H](NC(=O)c2cccc(O)c2[O-])CO1 ZINC000396559563 729611525 /nfs/dbraw/zinc/61/15/25/729611525.db2.gz WRYCPKKGNFJWDS-MRVPVSSYSA-N -1 3 251.282 1.395 10 10 CDCEHM C[C@H]1C(=O)N(C)CN1Cc1c([O-])ccc2ccncc21 ZINC000842639760 729912142 /nfs/dbraw/zinc/91/21/42/729912142.db2.gz FWEPBHLCTPPIAP-JTQLQIEISA-N -1 3 271.320 1.560 10 10 CDCEHM C[C@H]1COCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922202966 729980437 /nfs/dbraw/zinc/98/04/37/729980437.db2.gz SVOKUKSATFPUSI-CABZTGNLSA-N -1 3 282.315 1.756 10 10 CDCEHM O=C(NN1C[C@@H]2CCC[C@H]2C1)c1cccc(O)c1[O-] ZINC001558872259 965362984 /nfs/dbraw/zinc/36/29/84/965362984.db2.gz KNJQHEMZEBVWJA-UWVGGRQHSA-N -1 3 262.309 1.475 10 10 CDCEHM Cn1c(C=O)ccc1C(=O)NCc1c([O-])cccc1F ZINC001456030203 968850857 /nfs/dbraw/zinc/85/08/57/968850857.db2.gz RHXMNTPLNROCKX-UHFFFAOYSA-N -1 3 276.267 1.612 10 10 CDCEHM O=C(CCc1c[nH]cn1)NCc1c([O-])cccc1F ZINC001471976322 970527268 /nfs/dbraw/zinc/52/72/68/970527268.db2.gz WNFIXDCRJCMVRD-UHFFFAOYSA-N -1 3 263.272 1.503 10 10 CDCEHM O=C1C[C@]2(CCN(Cc3cc(Cl)c(F)cc3[O-])C2)CN1 ZINC000294619785 199110007 /nfs/dbraw/zinc/11/00/07/199110007.db2.gz JCYXVLYADIRFNB-CQSZACIVSA-N -1 3 298.745 1.897 10 10 CDCEHM O=C(NCC[C@H]1CCCOC1)c1cccc(O)c1[O-] ZINC000529602663 368084931 /nfs/dbraw/zinc/08/49/31/368084931.db2.gz ZGVZZGYIJGVSGE-SNVBAGLBSA-N -1 3 265.309 1.644 10 10 CDCEHM CN(Cc1nnc[nH]1)Cc1cc(Cl)c(F)cc1[O-] ZINC000295310745 371208845 /nfs/dbraw/zinc/20/88/45/371208845.db2.gz KPLFDMZFTVLKFJ-UHFFFAOYSA-N -1 3 270.695 1.935 10 10 CDCEHM CC1(CNCc2cc([N+](=O)[O-])ccc2[O-])OCCCO1 ZINC000192249524 262200399 /nfs/dbraw/zinc/20/03/99/262200399.db2.gz KKHNZTMWZUJAEI-UHFFFAOYSA-N -1 3 282.296 1.543 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@](O)(C(F)(F)F)C1 ZINC000185717324 262307839 /nfs/dbraw/zinc/30/78/39/262307839.db2.gz OAVBGGPUDQXZBA-LLVKDONJSA-N -1 3 291.225 1.237 10 10 CDCEHM C[C@@H](O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000230106978 333314662 /nfs/dbraw/zinc/31/46/62/333314662.db2.gz HJIUNJCOERGXAF-SECBINFHSA-N -1 3 265.309 1.331 10 10 CDCEHM Cc1c(CN(C)C(=O)c2cccc(O)c2[O-])cnn1C ZINC000791081797 1162190663 /nfs/dbraw/zinc/19/06/63/1162190663.db2.gz FITZVRWGFZPTLQ-UHFFFAOYSA-N -1 3 275.308 1.412 10 10 CDCEHM O=C1C[C@@]2(CCN(Cc3c([O-])ccc(Cl)c3F)C2)CN1 ZINC000366027267 527025375 /nfs/dbraw/zinc/02/53/75/527025375.db2.gz QPARDVATRVUYTG-AWEZNQCLSA-N -1 3 298.745 1.897 10 10 CDCEHM CCOc1ccc(CN2CCN(C3CC3)C(=O)C2)c([O-])c1 ZINC000769425159 576353323 /nfs/dbraw/zinc/35/33/23/576353323.db2.gz FBSRYKPHBQKEOS-UHFFFAOYSA-N -1 3 290.363 1.598 10 10 CDCEHM C[C@@H]1CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000804854879 617384463 /nfs/dbraw/zinc/38/44/63/617384463.db2.gz MPEYMUQIDJVDQX-KCJUWKMLSA-N -1 3 298.364 1.292 10 10 CDCEHM O=C(C1=CC(=O)CS1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898212060 621366139 /nfs/dbraw/zinc/36/61/39/621366139.db2.gz BLECMJUJAOFKPO-ZETCQYMHSA-N -1 3 279.321 1.512 10 10 CDCEHM Cc1ccn(C)c(=O)c1NC(=O)c1cccc(O)c1[O-] ZINC001629383696 1166136386 /nfs/dbraw/zinc/13/63/86/1166136386.db2.gz POBSEIRYSDGWFN-UHFFFAOYSA-N -1 3 274.276 1.357 10 10 CDCEHM Cn1ncc([N+](=O)[O-])c1NCc1c([O-])cccc1F ZINC001640434580 1167024061 /nfs/dbraw/zinc/02/40/61/1167024061.db2.gz DASMUWCJGOGOTD-UHFFFAOYSA-N -1 3 266.232 1.785 10 10 CDCEHM O=C([N-]N1CCCC1=O)c1cc2cc(O)c(O)cc2s1 ZINC001597277420 1174264985 /nfs/dbraw/zinc/26/49/85/1174264985.db2.gz HGENWVQUCWIXGC-UHFFFAOYSA-N -1 3 292.316 1.580 10 10 CDCEHM CCOC(CC(=O)NCc1c([O-])cccc1F)OCC ZINC000928707470 730626358 /nfs/dbraw/zinc/62/63/58/730626358.db2.gz FEAHUVVKSXLLLR-UHFFFAOYSA-N -1 3 285.315 1.937 10 10 CDCEHM CC(=O)NC(C)(C)C(=O)NCc1c([O-])cccc1F ZINC000928711210 933174524 /nfs/dbraw/zinc/17/45/24/933174524.db2.gz IALQLDYUYKXCRR-UHFFFAOYSA-N -1 3 268.288 1.062 10 10 CDCEHM Nc1ccc(-n2cnc3cc([O-])ccc3c2=O)cc1 ZINC000011731186 356277720 /nfs/dbraw/zinc/27/77/20/356277720.db2.gz RKASRAXNYKSQFX-UHFFFAOYSA-N -1 3 253.261 1.674 10 10 CDCEHM C[C@@H](O)CN1CCN(Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000180084900 357241742 /nfs/dbraw/zinc/24/17/42/357241742.db2.gz CYYIGUWORBOUMZ-VXGBXAGGSA-N -1 3 298.814 1.933 10 10 CDCEHM CC1(C)OCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000295993186 357591899 /nfs/dbraw/zinc/59/18/99/357591899.db2.gz UWGOOLMYRYAKPI-SNVBAGLBSA-N -1 3 251.282 1.395 10 10 CDCEHM CC(C)CN(CC(N)=O)Cc1cccc(F)c1[O-] ZINC000160211459 364320023 /nfs/dbraw/zinc/32/00/23/364320023.db2.gz TXAJSVOAPPTODO-UHFFFAOYSA-N -1 3 254.305 1.475 10 10 CDCEHM CC[C@H](O)CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180128943 261841426 /nfs/dbraw/zinc/84/14/26/261841426.db2.gz CQKYLTRMONVLHS-AWEZNQCLSA-N -1 3 282.359 1.420 10 10 CDCEHM Cc1ccc(C(=O)N(C)CCCCO)c([O-])c1O ZINC000276540179 526057850 /nfs/dbraw/zinc/05/78/50/526057850.db2.gz ZUGWZGKDEAFWEA-UHFFFAOYSA-N -1 3 253.298 1.251 10 10 CDCEHM [O-]c1cc2c(cc1CN1CCN(C3CC3)CC1)[C@@H](O)CO2 ZINC000768445608 576284174 /nfs/dbraw/zinc/28/41/74/576284174.db2.gz RRCMAYQJUNWNDC-HNNXBMFYSA-N -1 3 290.363 1.098 10 10 CDCEHM [O-]c1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)O3)[C@@H](O)CO2 ZINC000768465770 576287985 /nfs/dbraw/zinc/28/79/85/576287985.db2.gz KXBYQXKKFZJIPN-WDMOLILDSA-N -1 3 277.320 1.181 10 10 CDCEHM COc1cccc([O-])c1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000769471572 576357039 /nfs/dbraw/zinc/35/70/39/576357039.db2.gz VWCFPLTUOPAYEJ-GFCCVEGCSA-N -1 3 291.269 1.900 10 10 CDCEHM CN(C)c1ncc(NC(=O)c2cc([O-])cs2)cn1 ZINC000752647721 577117263 /nfs/dbraw/zinc/11/72/63/577117263.db2.gz MXQWOTUASPHOMA-UHFFFAOYSA-N -1 3 264.310 1.562 10 10 CDCEHM COC[C@H](C)CC(=O)NCc1c([O-])cccc1F ZINC000928705453 620504133 /nfs/dbraw/zinc/50/41/33/620504133.db2.gz KFXWVJHMDQUFHC-SECBINFHSA-N -1 3 255.289 1.820 10 10 CDCEHM CC(C)(C)n1cc(C(=O)NCc2c([O-])cccc2F)nn1 ZINC000928707127 620505056 /nfs/dbraw/zinc/50/50/56/620505056.db2.gz APBBRDPNTXVHBD-UHFFFAOYSA-N -1 3 292.314 1.808 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1nnc2ccccc2n1 ZINC001635367092 1166581858 /nfs/dbraw/zinc/58/18/58/1166581858.db2.gz YNWJLBZCCZFAMY-UHFFFAOYSA-N -1 3 298.277 1.800 10 10 CDCEHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])[nH]n1 ZINC001641524209 1167114389 /nfs/dbraw/zinc/11/43/89/1167114389.db2.gz TVMQONNFYOVCKO-UHFFFAOYSA-N -1 3 263.253 1.390 10 10 CDCEHM COC(=O)c1ccnc(NCc2c([O-])cccc2F)n1 ZINC001651438788 1171324503 /nfs/dbraw/zinc/32/45/03/1171324503.db2.gz QVEMKRVPXAGMEQ-UHFFFAOYSA-N -1 3 277.255 1.720 10 10 CDCEHM CN(C[C@@H](O)c1cccnc1)C(=O)c1cccc(O)c1[O-] ZINC001653447491 1171545825 /nfs/dbraw/zinc/54/58/25/1171545825.db2.gz JYLRXJDWBQWRSY-CYBMUJFWSA-N -1 3 288.303 1.298 10 10 CDCEHM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(O)c1[O-] ZINC000248721056 1181115520 /nfs/dbraw/zinc/11/55/20/1181115520.db2.gz GNUPEIYDVJMUBP-ZLKJLUDKSA-N -1 3 289.331 1.785 10 10 CDCEHM C[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)[C@H](C)O1 ZINC000923614474 735412456 /nfs/dbraw/zinc/41/24/56/735412456.db2.gz JRMATIFXGHRRDL-PTRXPTGYSA-N -1 3 282.315 1.896 10 10 CDCEHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])N1CCCCC1=O ZINC000793922189 735889582 /nfs/dbraw/zinc/88/95/82/735889582.db2.gz FHCUARPOHFESAK-JTQLQIEISA-N -1 3 292.335 1.229 10 10 CDCEHM C[C@@H]1COCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928707191 736017376 /nfs/dbraw/zinc/01/73/76/736017376.db2.gz BWMOXIITNFUQHC-ZJUUUORDSA-N -1 3 267.300 1.820 10 10 CDCEHM CC(=O)N1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928710171 733568849 /nfs/dbraw/zinc/56/88/49/733568849.db2.gz PDPMKEWDRWIKPG-NSHDSACASA-N -1 3 294.326 1.406 10 10 CDCEHM CCOC1CC2(C[C@H]2NC(=O)c2cccc(O)c2[O-])C1 ZINC000721160338 734105709 /nfs/dbraw/zinc/10/57/09/734105709.db2.gz QFSBJIXYFNOLLF-YAKODHLKSA-N -1 3 277.320 1.785 10 10 CDCEHM C[C@H]1C[C@@H](C(=O)NCc2c([O-])cccc2F)CCO1 ZINC000928707461 734309464 /nfs/dbraw/zinc/30/94/64/734309464.db2.gz DYDNGKRGTBLILD-UWVGGRQHSA-N -1 3 267.300 1.963 10 10 CDCEHM COC(=O)N[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708432838 734800708 /nfs/dbraw/zinc/80/07/08/734800708.db2.gz DFGGNPKESDSRTK-JTQLQIEISA-N -1 3 286.278 1.601 10 10 CDCEHM CC1(C)[C@@H](O)CCN1C(=O)c1cccc(O)c1[O-] ZINC000386489771 735191310 /nfs/dbraw/zinc/19/13/10/735191310.db2.gz JODXVMGZARAADP-JTQLQIEISA-N -1 3 251.282 1.083 10 10 CDCEHM C[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)[C@@H](C)O1 ZINC000923614472 735809214 /nfs/dbraw/zinc/80/92/14/735809214.db2.gz JRMATIFXGHRRDL-KBVBSXBZSA-N -1 3 282.315 1.896 10 10 CDCEHM CC1(C)CC[C@@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000691887194 937222356 /nfs/dbraw/zinc/22/23/56/937222356.db2.gz YPOTVTNWOHDRIT-VIFPVBQESA-N -1 3 265.309 1.785 10 10 CDCEHM COC(=O)[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000267459445 363826599 /nfs/dbraw/zinc/82/65/99/363826599.db2.gz QXCQNHIUPNIPGM-SNVBAGLBSA-N -1 3 295.310 1.729 10 10 CDCEHM Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2O)c([O-])c1O ZINC000271247336 364978269 /nfs/dbraw/zinc/97/82/69/364978269.db2.gz GLAOYWQMMWREHW-GXSJLCMTSA-N -1 3 265.309 1.297 10 10 CDCEHM CCOC(=O)CC[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272960706 365459112 /nfs/dbraw/zinc/45/91/12/365459112.db2.gz JNGCPXKRFUVDQB-SNVBAGLBSA-N -1 3 295.335 1.868 10 10 CDCEHM CC1(C)[C@H](NC(=O)c2cccc(O)c2[O-])[C@H]2CCO[C@H]21 ZINC000251551720 377600767 /nfs/dbraw/zinc/60/07/67/377600767.db2.gz HPKCZNQICSJULN-OASPWFOLSA-N -1 3 277.320 1.641 10 10 CDCEHM CCCOc1ccc(C=C2C(=O)[N-]NC2=O)c(C)c1C ZINC000006718639 170231752 /nfs/dbraw/zinc/23/17/52/170231752.db2.gz AURRNEHMLNOUKV-UHFFFAOYSA-N -1 3 274.320 1.637 10 10 CDCEHM CCCOc1ccc(/C=C2\C(=O)[N-]NC2=O)c(C)c1C ZINC000006718639 170231753 /nfs/dbraw/zinc/23/17/53/170231753.db2.gz AURRNEHMLNOUKV-UHFFFAOYSA-N -1 3 274.320 1.637 10 10 CDCEHM CCCOc1ccc(/C=C2/C(=O)[N-]NC2=O)c(C)c1C ZINC000006718639 170231754 /nfs/dbraw/zinc/23/17/54/170231754.db2.gz AURRNEHMLNOUKV-UHFFFAOYSA-N -1 3 274.320 1.637 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([O-])c1O ZINC000529986595 333516548 /nfs/dbraw/zinc/51/65/48/333516548.db2.gz YFUAKNGWNZKDFB-WYFGTUCQSA-N -1 3 279.336 1.948 10 10 CDCEHM O=C(NC[C@@H](O)Cc1ccccc1)c1cc([O-])cs1 ZINC000732287515 575087143 /nfs/dbraw/zinc/08/71/43/575087143.db2.gz WCEHOMVXMZPKAU-NSHDSACASA-N -1 3 277.345 1.787 10 10 CDCEHM [O-]c1ccc(Cl)cc1CN1CCn2nnc(CO)c2C1 ZINC000894803870 619064872 /nfs/dbraw/zinc/06/48/72/619064872.db2.gz UVCRCEQVDBTSMM-UHFFFAOYSA-N -1 3 294.742 1.145 10 10 CDCEHM CC(=O)N[C@@H](CC(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928708376 620505788 /nfs/dbraw/zinc/50/57/88/620505788.db2.gz KISQPCIHJVGJPG-ZDUSSCGKSA-N -1 3 296.342 1.698 10 10 CDCEHM CC(C)C(=O)NCCNC(=O)NCc1c([O-])cccc1F ZINC000913900928 630873057 /nfs/dbraw/zinc/87/30/57/630873057.db2.gz LELPSEXFMMYKNT-UHFFFAOYSA-N -1 3 297.330 1.103 10 10 CDCEHM C[C@H]1CN(CCO)CCN1Cc1cccc(Cl)c1[O-] ZINC000825337942 736630419 /nfs/dbraw/zinc/63/04/19/736630419.db2.gz JHYMJWYBRAQHLZ-NSHDSACASA-N -1 3 284.787 1.544 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1[O-] ZINC000844431496 736739395 /nfs/dbraw/zinc/73/93/95/736739395.db2.gz QWFLANRGQNSGRR-JOOBJXAISA-N -1 3 297.351 1.439 10 10 CDCEHM CCC[C@H](O)CC(=O)NCc1c([O-])cccc1F ZINC000928704934 736926789 /nfs/dbraw/zinc/92/67/89/736926789.db2.gz GGZWBARMUOZMLE-VIFPVBQESA-N -1 3 255.289 1.699 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000923460644 738627856 /nfs/dbraw/zinc/62/78/56/738627856.db2.gz ANRZPLYYOMYGSF-HZMBPMFUSA-N -1 3 294.326 1.898 10 10 CDCEHM CCOCC1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928708746 736411966 /nfs/dbraw/zinc/41/19/66/736411966.db2.gz SAZXJXLGIYSQNH-UHFFFAOYSA-N -1 3 267.300 1.964 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCc2cncn2C1 ZINC000928706636 736891854 /nfs/dbraw/zinc/89/18/54/736891854.db2.gz SQIXRKMQMTYIAZ-SNVBAGLBSA-N -1 3 289.310 1.607 10 10 CDCEHM Cc1cc([O-])c(CN(C)CCS(C)(=O)=O)c(Cl)c1 ZINC000840911014 738386750 /nfs/dbraw/zinc/38/67/50/738386750.db2.gz TZQRSYJRBURNTH-UHFFFAOYSA-N -1 3 291.800 1.830 10 10 CDCEHM Cc1cc([O-])c(CN2CCN(C)C(=O)C2)c(Cl)c1 ZINC000840918207 739021466 /nfs/dbraw/zinc/02/14/66/739021466.db2.gz QDUJMWHDIHCDGE-UHFFFAOYSA-N -1 3 268.744 1.628 10 10 CDCEHM Cc1nonc1C(=O)NCc1c([O-])cccc1F ZINC001178412822 915429508 /nfs/dbraw/zinc/42/95/08/915429508.db2.gz GVRYFARKGKDYEZ-UHFFFAOYSA-N -1 3 251.217 1.153 10 10 CDCEHM CNC(=O)CN(C)Cc1c([O-])cc(C)cc1Cl ZINC000827862900 936610358 /nfs/dbraw/zinc/61/03/58/936610358.db2.gz UBJGBZFNFOHQAW-UHFFFAOYSA-N -1 3 256.733 1.532 10 10 CDCEHM O=C(NCC1(n2cccn2)CC1)c1cccc(O)c1[O-] ZINC001124070562 936280889 /nfs/dbraw/zinc/28/08/89/936280889.db2.gz ZERUTKKGQJIINW-UHFFFAOYSA-N -1 3 273.292 1.213 10 10 CDCEHM C[C@@H]1C(=O)N(C)CN1Cc1ccc(Br)cc1[O-] ZINC001330279819 941802985 /nfs/dbraw/zinc/80/29/85/941802985.db2.gz NMWNSTXQXJVOPR-MRVPVSSYSA-N -1 3 299.168 1.775 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC2(CC2(F)F)C1 ZINC000848259073 968907858 /nfs/dbraw/zinc/90/78/58/968907858.db2.gz ZAYYYSAJXAQGCV-UHFFFAOYSA-N -1 3 255.220 1.579 10 10 CDCEHM C[C@H]1CCOCCN1C(=O)c1cccc(O)c1[O-] ZINC000365941308 300007168 /nfs/dbraw/zinc/00/71/68/300007168.db2.gz NHPJRVKESJQCTF-VIFPVBQESA-N -1 3 251.282 1.349 10 10 CDCEHM Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)c([O-])c1O ZINC000177670071 391173730 /nfs/dbraw/zinc/17/37/30/391173730.db2.gz BJWPJNWTXJHJCG-MWLCHTKSSA-N -1 3 265.309 1.704 10 10 CDCEHM COc1c([O-])c(CN(C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000289422114 286186696 /nfs/dbraw/zinc/18/66/96/286186696.db2.gz JJTILUXOPQWIMM-QMMMGPOBSA-N -1 3 270.285 1.122 10 10 CDCEHM Cc1ccc(C(=O)NC[C@@H](O)C(C)C)c([O-])c1O ZINC000182622703 327814304 /nfs/dbraw/zinc/81/43/04/327814304.db2.gz ZCGHPVNFJHTVRG-SNVBAGLBSA-N -1 3 253.298 1.153 10 10 CDCEHM Cc1nnc(CC(=O)NCc2c([O-])cccc2F)s1 ZINC000928706978 620505148 /nfs/dbraw/zinc/50/51/48/620505148.db2.gz ZAVWWYPSLAOXBP-UHFFFAOYSA-N -1 3 281.312 1.550 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N(CCCO)C1CC1 ZINC000404280156 1186510377 /nfs/dbraw/zinc/51/03/77/1186510377.db2.gz QRUMWLNDMPYULA-UHFFFAOYSA-N -1 3 251.282 1.085 10 10 CDCEHM O=C(NCC[C@@H]1CCSC1)c1cccc(O)c1[O-] ZINC000704894918 739834045 /nfs/dbraw/zinc/83/40/45/739834045.db2.gz GJVMQAORGITXNP-SECBINFHSA-N -1 3 267.350 1.971 10 10 CDCEHM O=C(NCC[C@H]1CC1(F)F)c1cccc(O)c1[O-] ZINC000701931654 739881786 /nfs/dbraw/zinc/88/17/86/739881786.db2.gz LSFNQFNEKGXVGP-ZETCQYMHSA-N -1 3 257.236 1.873 10 10 CDCEHM C[C@@H]1CC[C@H](CO)N1C(=O)c1cccc(O)c1[O-] ZINC000922010013 739894623 /nfs/dbraw/zinc/89/46/23/739894623.db2.gz UXLULNMXUZYRRL-RKDXNWHRSA-N -1 3 251.282 1.083 10 10 CDCEHM Cc1nnc(CCC(=O)NCc2c([O-])cccc2F)o1 ZINC000928710183 740849148 /nfs/dbraw/zinc/84/91/48/740849148.db2.gz HZJXGQZBEFINBE-UHFFFAOYSA-N -1 3 279.271 1.472 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCC[C@](O)(CO)C2)c1[O-] ZINC000313686976 740886529 /nfs/dbraw/zinc/88/65/29/740886529.db2.gz DMLRLJIPLYJIKD-OAHLLOKOSA-N -1 3 297.326 1.053 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](C2CCC2)C1 ZINC000839809074 739633505 /nfs/dbraw/zinc/63/35/05/739633505.db2.gz VWZOSGREXYPPOY-CYBMUJFWSA-N -1 3 277.320 1.739 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@]1(O)CCSC1 ZINC000928705584 742563269 /nfs/dbraw/zinc/56/32/69/742563269.db2.gz LOQSAMVWKLPZHE-GFCCVEGCSA-N -1 3 271.313 1.016 10 10 CDCEHM O=C(NCCC1(O)CCC1)NCc1c([O-])cccc1F ZINC000922399102 742720750 /nfs/dbraw/zinc/72/07/50/742720750.db2.gz JQQGCNGZNNTAJY-UHFFFAOYSA-N -1 3 282.315 1.636 10 10 CDCEHM Cc1[nH]c(C=O)cc1C(=O)NCc1c([O-])cccc1F ZINC001646035257 1167617974 /nfs/dbraw/zinc/61/79/74/1167617974.db2.gz UNPKIEQGBBKRIJ-UHFFFAOYSA-N -1 3 276.267 1.910 10 10 CDCEHM NC(=O)c1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001178410894 915429191 /nfs/dbraw/zinc/42/91/91/915429191.db2.gz XUKGPSAGUTXLLD-UHFFFAOYSA-N -1 3 288.278 1.560 10 10 CDCEHM C[C@@H]1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000688966641 934757755 /nfs/dbraw/zinc/75/77/55/934757755.db2.gz GEQFFRGGWPJYSD-NXEZZACHSA-N -1 3 265.309 1.785 10 10 CDCEHM Cc1nnc(CNCc2cccc(F)c2[O-])s1 ZINC000391830783 944281325 /nfs/dbraw/zinc/28/13/25/944281325.db2.gz OAHYOWIDUREXKB-UHFFFAOYSA-N -1 3 253.302 1.981 10 10 CDCEHM O=C(N[C@@H]1CCn2ccnc21)c1cccc(O)c1[O-] ZINC001556718284 965085810 /nfs/dbraw/zinc/08/58/10/965085810.db2.gz QIFLGDPODYCBTN-SECBINFHSA-N -1 3 259.265 1.169 10 10 CDCEHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(O)c(O)c1 ZINC001556804101 965099097 /nfs/dbraw/zinc/09/90/97/965099097.db2.gz UGHXPNLHEUBQFW-SECBINFHSA-N -1 3 253.298 1.734 10 10 CDCEHM Cn1ncc(Cl)c1C(=O)NCc1c([O-])cccc1F ZINC001558455094 965284845 /nfs/dbraw/zinc/28/48/45/965284845.db2.gz NUNQPGVBGUQCSO-UHFFFAOYSA-N -1 3 283.690 1.848 10 10 CDCEHM CCOc1nc(C(=O)NCc2c([O-])cccc2F)co1 ZINC001456026968 968850652 /nfs/dbraw/zinc/85/06/52/968850652.db2.gz CMMLBTIAYSHXEV-UHFFFAOYSA-N -1 3 280.255 1.848 10 10 CDCEHM COC(=O)c1ccc(CN2C[C@H](C)CCC2=O)c([O-])c1 ZINC000584597664 346496018 /nfs/dbraw/zinc/49/60/18/346496018.db2.gz DLGOUVIGRYVLHH-SNVBAGLBSA-N -1 3 277.320 1.937 10 10 CDCEHM CN(CCCO)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000281782351 367685780 /nfs/dbraw/zinc/68/57/80/367685780.db2.gz NDMKPIFKUHSJTH-UHFFFAOYSA-N -1 3 274.704 1.768 10 10 CDCEHM CCOC(=O)CN(C(=O)c1cccc(O)c1[O-])C(C)C ZINC000126340877 260350787 /nfs/dbraw/zinc/35/07/87/260350787.db2.gz UKUGXXWUIMBKNI-UHFFFAOYSA-N -1 3 281.308 1.512 10 10 CDCEHM CCOC(=O)[C@H](C)N[C@@H](C)c1ccc(O)cc1[O-] ZINC000049367888 521210782 /nfs/dbraw/zinc/21/07/82/521210782.db2.gz AYLVGIJWKHLLOE-IUCAKERBSA-N -1 3 253.298 1.700 10 10 CDCEHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccnn1C ZINC000774160435 575185688 /nfs/dbraw/zinc/18/56/88/575185688.db2.gz GDFDFPUWUZAUDF-VIFPVBQESA-N -1 3 276.296 1.885 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCC(OCCCO)CC1 ZINC000769200146 576337176 /nfs/dbraw/zinc/33/71/76/576337176.db2.gz MCOCBGNLYMNVSN-UHFFFAOYSA-N -1 3 285.365 1.457 10 10 CDCEHM Cc1cc([O-])c(CNCc2nnn(C)n2)c(Cl)c1 ZINC000840940665 617643163 /nfs/dbraw/zinc/64/31/63/617643163.db2.gz JFEDBUYHBQTUOK-UHFFFAOYSA-N -1 3 267.720 1.167 10 10 CDCEHM Cc1cc([O-])c(CN(C)C2CS(=O)(=O)C2)cc1Cl ZINC000895398854 619637531 /nfs/dbraw/zinc/63/75/31/619637531.db2.gz FMRZWSIZZIEXRL-UHFFFAOYSA-N -1 3 289.784 1.583 10 10 CDCEHM COC/C(C)=C/C(=O)NCc1c([O-])cccc1F ZINC000928704884 620503683 /nfs/dbraw/zinc/50/36/83/620503683.db2.gz AKAPCMGDLPQFIS-RMKNXTFCSA-N -1 3 253.273 1.740 10 10 CDCEHM CCn1nncc1C(=O)NCc1c([O-])cccc1F ZINC000928705365 620504305 /nfs/dbraw/zinc/50/43/05/620504305.db2.gz HQXVGUZNNMLUKB-UHFFFAOYSA-N -1 3 264.260 1.073 10 10 CDCEHM COC(=O)[C@@](C)(CCF)NCc1cc(F)ccc1[O-] ZINC000827353027 630685102 /nfs/dbraw/zinc/68/51/02/630685102.db2.gz WTTFNZLMYUELJO-CYBMUJFWSA-N -1 3 273.279 1.912 10 10 CDCEHM CSCCNC(=O)NCc1c([O-])cccc1F ZINC000916098132 631907399 /nfs/dbraw/zinc/90/73/99/631907399.db2.gz AKZCVRQOJBUENS-UHFFFAOYSA-N -1 3 258.318 1.694 10 10 CDCEHM [O-]c1cccc(F)c1CNc1ccc2nccnc2n1 ZINC001612950789 1165525589 /nfs/dbraw/zinc/52/55/89/1165525589.db2.gz WOCVIGBUMUVDHY-UHFFFAOYSA-N -1 3 270.267 1.855 10 10 CDCEHM CCn1ccnc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001637799898 1166786868 /nfs/dbraw/zinc/78/68/68/1166786868.db2.gz ZBCRQWMTOYHLNV-UHFFFAOYSA-N -1 3 261.281 1.875 10 10 CDCEHM Cc1cc([O-])c(CNCc2cn(C)nn2)c(Cl)c1 ZINC000840938026 743500647 /nfs/dbraw/zinc/50/06/47/743500647.db2.gz WQPIBGZJHRRDQF-UHFFFAOYSA-N -1 3 266.732 1.772 10 10 CDCEHM CC(=O)N1CCCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928712261 742879322 /nfs/dbraw/zinc/87/93/22/742879322.db2.gz PQQFPEOUBGGJRH-CYBMUJFWSA-N -1 3 294.326 1.549 10 10 CDCEHM O=S1(=O)CCN(Cc2cc(F)ccc2[O-])[C@@H]2CCC[C@@H]21 ZINC000825201710 743041569 /nfs/dbraw/zinc/04/15/69/743041569.db2.gz NBMCHQYQZLIGEC-OCCSQVGLSA-N -1 3 299.367 1.683 10 10 CDCEHM COC[C@@H]1C[C@@H](O)CN1Cc1c([O-])ccc(Cl)c1F ZINC000846048192 745081846 /nfs/dbraw/zinc/08/18/46/745081846.db2.gz YVCFRXAYVXSQKU-DTWKUNHWSA-N -1 3 289.734 1.766 10 10 CDCEHM COCCC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000819572477 745768775 /nfs/dbraw/zinc/76/87/75/745768775.db2.gz ZSKYJUWRYXKZKD-UHFFFAOYSA-N -1 3 251.282 1.206 10 10 CDCEHM CCn1cc(S(=O)(=O)NCc2c([O-])cccc2F)cn1 ZINC000921452504 746207062 /nfs/dbraw/zinc/20/70/62/746207062.db2.gz RAXXRMRBSCCFCL-UHFFFAOYSA-N -1 3 299.327 1.226 10 10 CDCEHM O=C(N[C@H]1C[C@H](O)C12CCC2)c1cccc(O)c1[O-] ZINC000855919456 746247485 /nfs/dbraw/zinc/24/74/85/746247485.db2.gz DBJZWSWBNJSPDK-QWRGUYRKSA-N -1 3 263.293 1.131 10 10 CDCEHM O=C(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc(O)c1[O-] ZINC000831162894 746858634 /nfs/dbraw/zinc/85/86/34/746858634.db2.gz CXWUZYMNEJOVIP-AXFHLTTASA-N -1 3 275.304 1.419 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCC12OCCO2 ZINC000928707147 748466105 /nfs/dbraw/zinc/46/61/05/748466105.db2.gz BEQZYSLZPXUMDN-LLVKDONJSA-N -1 3 295.310 1.691 10 10 CDCEHM COC[C@H](NC(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC000855292800 748641010 /nfs/dbraw/zinc/64/10/10/748641010.db2.gz VZDMHXPZLTZWCO-LBPRGKRZSA-N -1 3 295.335 1.269 10 10 CDCEHM CC(C)(C)n1cnc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790927684 749048563 /nfs/dbraw/zinc/04/85/63/749048563.db2.gz MNWCSNUZXRFHGN-UHFFFAOYSA-N -1 3 276.296 1.697 10 10 CDCEHM O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1cccc(O)c1[O-] ZINC000691425813 928414372 /nfs/dbraw/zinc/41/43/72/928414372.db2.gz FNFOPPYKEYWYAS-BXKDBHETSA-N -1 3 263.293 1.395 10 10 CDCEHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CC1(F)F ZINC000689185752 936029729 /nfs/dbraw/zinc/02/97/29/936029729.db2.gz RPMMWWRYTULKTR-NSHDSACASA-N -1 3 257.236 1.873 10 10 CDCEHM CN(Cc1nnnn1C(C)(C)C)Cc1ccccc1[O-] ZINC000766815577 576136605 /nfs/dbraw/zinc/13/66/05/576136605.db2.gz VWTOENXTOGYIIQ-UHFFFAOYSA-N -1 3 275.356 1.766 10 10 CDCEHM O=C(CC1OCCCO1)NCc1c([O-])cccc1F ZINC000928708683 620506407 /nfs/dbraw/zinc/50/64/07/620506407.db2.gz QASPSMXQQDNFBU-UHFFFAOYSA-N -1 3 269.272 1.301 10 10 CDCEHM Cc1cc(=O)c(C(=O)NCc2c([O-])cccc2F)cn1C ZINC001649075992 1161362429 /nfs/dbraw/zinc/36/24/29/1161362429.db2.gz MATQVJAAGHCHTG-UHFFFAOYSA-N -1 3 290.294 1.468 10 10 CDCEHM C/C=C\C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OCC ZINC001632615333 1166362306 /nfs/dbraw/zinc/36/23/06/1166362306.db2.gz MHUJSGFCCAWJJN-USEMIUTHSA-N -1 3 293.319 1.726 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000846622355 751917939 /nfs/dbraw/zinc/91/79/39/751917939.db2.gz VHLHAKNYBSWTKJ-GFCCVEGCSA-N -1 3 269.247 1.969 10 10 CDCEHM Cc1cc([O-])c(CN2CCN3CCOC[C@@H]3C2)c(Cl)c1 ZINC000840939145 749758942 /nfs/dbraw/zinc/75/89/42/749758942.db2.gz KCQCJVXKZHOGHY-LBPRGKRZSA-N -1 3 296.798 1.870 10 10 CDCEHM C[C@H](CN1CCOCC1)C(=O)NCc1c([O-])cccc1F ZINC000928705654 749883334 /nfs/dbraw/zinc/88/33/34/749883334.db2.gz MNEIPJTYLBZGMQ-LLVKDONJSA-N -1 3 296.342 1.116 10 10 CDCEHM C[C@@H]1CCCN1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452604 750371272 /nfs/dbraw/zinc/37/12/72/750371272.db2.gz UCWCMHHLHJWIAV-SECBINFHSA-N -1 3 288.344 1.350 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CCOC2)C1 ZINC000837069478 750828759 /nfs/dbraw/zinc/82/87/59/750828759.db2.gz RYTMXRPFTNVQAV-OAHLLOKOSA-N -1 3 277.320 1.741 10 10 CDCEHM C[C@H](N[C@@H](CO)c1ccnn1C)c1cc(F)cc(F)c1[O-] ZINC000858434833 751312679 /nfs/dbraw/zinc/31/26/79/751312679.db2.gz QRWKHQJSCPXLHN-UFBFGSQYSA-N -1 3 297.305 1.788 10 10 CDCEHM CC(C)(C)C(=O)NCC(=O)NCc1c([O-])cccc1F ZINC000928710725 752403888 /nfs/dbraw/zinc/40/38/88/752403888.db2.gz WICOFGFXLWNSAN-UHFFFAOYSA-N -1 3 282.315 1.310 10 10 CDCEHM O=S(=O)(NCc1c([O-])cccc1F)N1CCCCC1 ZINC000921452500 914935076 /nfs/dbraw/zinc/93/50/76/914935076.db2.gz QWZMUQRWPILVJV-UHFFFAOYSA-N -1 3 288.344 1.352 10 10 CDCEHM CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cccc(O)c1[O-] ZINC001295755507 954741675 /nfs/dbraw/zinc/74/16/75/954741675.db2.gz PAEQUYHEIVSGIU-PWSUYJOCSA-N -1 3 279.336 1.721 10 10 CDCEHM Nc1nccc2c1CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001302093393 955995079 /nfs/dbraw/zinc/99/50/79/955995079.db2.gz VBRFHPFOEIPNJQ-UHFFFAOYSA-N -1 3 285.303 1.274 10 10 CDCEHM CCNC(=O)[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000293762167 370785248 /nfs/dbraw/zinc/78/52/48/370785248.db2.gz ZCZQMYNTRIUTIK-SSDOTTSWSA-N -1 3 274.723 1.799 10 10 CDCEHM CN(Cc1cccc(F)c1[O-])[C@@H]1CCN(C)C1=O ZINC000272240545 365147088 /nfs/dbraw/zinc/14/70/88/365147088.db2.gz GNQADQDCQXYMRR-LLVKDONJSA-N -1 3 252.289 1.194 10 10 CDCEHM Cc1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)c([O-])c1O ZINC000372490824 391854885 /nfs/dbraw/zinc/85/48/85/391854885.db2.gz MQZBSLYPUWYWRX-GFCCVEGCSA-N -1 3 277.320 1.657 10 10 CDCEHM O=C(N[C@@H]1CCCC[C@@H]1O)c1cccc(O)c1[O-] ZINC000126381910 260350252 /nfs/dbraw/zinc/35/02/52/260350252.db2.gz YNZQVYNKTDSVIN-ZJUUUORDSA-N -1 3 251.282 1.131 10 10 CDCEHM Cc1ccc(C(=O)N2CCN3CCC2CC3)c([O-])c1O ZINC000188854477 329373787 /nfs/dbraw/zinc/37/37/87/329373787.db2.gz NTQKYZLJKYGHMC-UHFFFAOYSA-N -1 3 276.336 1.326 10 10 CDCEHM CCn1ncc(CN[C@@H]2CCc3cccc([O-])c32)n1 ZINC000527923082 330296042 /nfs/dbraw/zinc/29/60/42/330296042.db2.gz JACBJHSFWPCCQG-GFCCVEGCSA-N -1 3 258.325 1.781 10 10 CDCEHM Cc1ccc(C(=O)NCC2(C)OCCCO2)c([O-])c1O ZINC000277099399 526156942 /nfs/dbraw/zinc/15/69/42/526156942.db2.gz QFNKXCNNPMCBDJ-UHFFFAOYSA-N -1 3 281.308 1.289 10 10 CDCEHM CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc([O-])cs3)[C@H]2C1 ZINC000755305671 576939584 /nfs/dbraw/zinc/93/95/84/576939584.db2.gz AMWVVRQAVRPEED-GRYCIOLGSA-N -1 3 297.376 1.862 10 10 CDCEHM C[C@H](O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000840979199 617990614 /nfs/dbraw/zinc/99/06/14/617990614.db2.gz ZHIGTUYIYIMFBH-ZANVPECISA-N -1 3 271.744 1.627 10 10 CDCEHM O=C(NCCOC1CCC1)NCc1c([O-])cccc1F ZINC000920802265 632842795 /nfs/dbraw/zinc/84/27/95/632842795.db2.gz CINRCKHMQWOQEL-UHFFFAOYSA-N -1 3 282.315 1.900 10 10 CDCEHM C[C@H]1C[C@H](CO)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000398783665 1158465069 /nfs/dbraw/zinc/46/50/69/1158465069.db2.gz POBGYDKXXVVNNT-UWVGGRQHSA-N -1 3 265.309 1.188 10 10 CDCEHM COc1ccc(O)c([C@H](C)NC(=O)c2cnncc2[O-])c1 ZINC001622779289 1165738261 /nfs/dbraw/zinc/73/82/61/1165738261.db2.gz MWCFEAQTJDTTJB-QMMMGPOBSA-N -1 3 289.291 1.387 10 10 CDCEHM COC[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000846046992 754203423 /nfs/dbraw/zinc/20/34/23/754203423.db2.gz GBAAXKAVCQALET-WDEREUQCSA-N -1 3 289.734 1.766 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1[O-] ZINC000844431494 755040227 /nfs/dbraw/zinc/04/02/27/755040227.db2.gz QWFLANRGQNSGRR-PVUDRZGPSA-N -1 3 297.351 1.439 10 10 CDCEHM CC1(C)CN(Cc2cc(F)ccc2[O-])[C@@H]2COC[C@H]2O1 ZINC000846118066 755813318 /nfs/dbraw/zinc/81/33/18/755813318.db2.gz KHMHJULSNYYPQZ-TZMCWYRMSA-N -1 3 281.327 1.910 10 10 CDCEHM C[C@@H]1C[C@H](C)[C@@H](C(=O)NCc2c([O-])cccc2F)O1 ZINC000928707456 756470100 /nfs/dbraw/zinc/47/01/00/756470100.db2.gz DPTUXHCFSUCEMY-RWEMILLDSA-N -1 3 267.300 1.961 10 10 CDCEHM Cc1cc([O-])c(CN2CCn3cnnc3C2)c(Cl)c1 ZINC000840913983 756640640 /nfs/dbraw/zinc/64/06/40/756640640.db2.gz NHYYITAGTNPVAJ-UHFFFAOYSA-N -1 3 278.743 1.961 10 10 CDCEHM O=C(CN1CCCCCC1=O)NCc1c([O-])cccc1F ZINC000928709303 756834136 /nfs/dbraw/zinc/83/41/36/756834136.db2.gz IEFCRXTYRAHYCM-UHFFFAOYSA-N -1 3 294.326 1.550 10 10 CDCEHM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709791 757020842 /nfs/dbraw/zinc/02/08/42/757020842.db2.gz LPPFDWXSOFEAGJ-AQUOVQTQSA-N -1 3 267.300 1.819 10 10 CDCEHM C[C@@H]1CC[C@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000922824091 757929818 /nfs/dbraw/zinc/92/98/18/757929818.db2.gz YDQKUKCPCNOELC-NXEZZACHSA-N -1 3 282.315 1.898 10 10 CDCEHM O=Cc1c[nH]c(C(=O)NCc2c([O-])cccc2F)c1 ZINC001638864377 1166880578 /nfs/dbraw/zinc/88/05/78/1166880578.db2.gz YNVQJCBGAIUMKS-UHFFFAOYSA-N -1 3 262.240 1.602 10 10 CDCEHM COCCN(CCF)C(=O)c1cccc(O)c1[O-] ZINC000697039358 937276440 /nfs/dbraw/zinc/27/64/40/937276440.db2.gz MGEARBUMKBSGOV-UHFFFAOYSA-N -1 3 257.261 1.156 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000928706285 933174116 /nfs/dbraw/zinc/17/41/16/933174116.db2.gz QJLVQLXANZLOCJ-AEJSXWLSSA-N -1 3 277.295 1.763 10 10 CDCEHM CCc1cc(C(=O)NCc2c([O-])cccc2F)[nH]n1 ZINC001471974827 970523603 /nfs/dbraw/zinc/52/36/03/970523603.db2.gz LHMYCVYPKRYOGE-UHFFFAOYSA-N -1 3 263.272 1.747 10 10 CDCEHM O=C1CCN(Cc2cc(Cl)c(F)cc2[O-])CCN1 ZINC000295394240 371254028 /nfs/dbraw/zinc/25/40/28/371254028.db2.gz QBOLUBIJEAHNMC-UHFFFAOYSA-N -1 3 272.707 1.507 10 10 CDCEHM O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cccc(O)c1[O-] ZINC000193140273 373682531 /nfs/dbraw/zinc/68/25/31/373682531.db2.gz HCJJWCNBAUDLIC-TZMCWYRMSA-N -1 3 285.299 1.486 10 10 CDCEHM Cc1ccc(C(=O)N2CCC([C@@H](C)O)CC2)c([O-])c1O ZINC000182471210 391234930 /nfs/dbraw/zinc/23/49/30/391234930.db2.gz YFIVZRKRMKGNJX-SNVBAGLBSA-N -1 3 279.336 1.639 10 10 CDCEHM COC(=O)[C@@H](N[C@@H](C)c1ccc(O)cc1[O-])C(C)C ZINC000035346492 172138607 /nfs/dbraw/zinc/13/86/07/172138607.db2.gz JOGXBZPKNURQLV-ZANVPECISA-N -1 3 267.325 1.946 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000126493803 260353616 /nfs/dbraw/zinc/35/36/16/260353616.db2.gz QUQPGUFRMJZMRY-MEDUHNTESA-N -1 3 291.347 1.865 10 10 CDCEHM COC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C(C)(C)C ZINC000770493114 575455898 /nfs/dbraw/zinc/45/58/98/575455898.db2.gz APOCZDPUSKTDMJ-LBPRGKRZSA-N -1 3 295.335 1.724 10 10 CDCEHM Cc1ccc(C(=O)NC2(CCO)CCOCC2)c([O-])c1O ZINC000765653169 576047843 /nfs/dbraw/zinc/04/78/43/576047843.db2.gz ZQMVWSKSFRYWIF-UHFFFAOYSA-N -1 3 295.335 1.068 10 10 CDCEHM C[C@@H](NCc1cccc(Cl)c1[O-])C1N=NC(=O)N1C ZINC000895177361 619425820 /nfs/dbraw/zinc/42/58/20/619425820.db2.gz REDIONSXEGLZEQ-SSDOTTSWSA-N -1 3 282.731 1.731 10 10 CDCEHM CC(=O)C1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928705097 620503624 /nfs/dbraw/zinc/50/36/24/620503624.db2.gz DVXZKFHJQVOHJS-UHFFFAOYSA-N -1 3 251.257 1.517 10 10 CDCEHM COCCn1cc(C(=O)NCc2c([O-])cccc2F)cn1 ZINC000928707725 620505244 /nfs/dbraw/zinc/50/52/44/620505244.db2.gz BFZYGXHOIYIFPU-UHFFFAOYSA-N -1 3 293.298 1.304 10 10 CDCEHM CC(C)(C)OC(=O)C(=O)NCc1c([O-])cccc1F ZINC000902944976 625628894 /nfs/dbraw/zinc/62/88/94/625628894.db2.gz PEPWHDNCJGYKMF-UHFFFAOYSA-N -1 3 269.272 1.489 10 10 CDCEHM Cc1nccnc1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001651402568 1171319918 /nfs/dbraw/zinc/31/99/18/1171319918.db2.gz RGQJDHFLMBLVBI-SECBINFHSA-N -1 3 273.292 1.687 10 10 CDCEHM CCn1nncc1CNC(=O)NCc1c([O-])cccc1F ZINC000923390336 769520240 /nfs/dbraw/zinc/52/02/40/769520240.db2.gz XMJCFTNDICSDFV-UHFFFAOYSA-N -1 3 293.302 1.142 10 10 CDCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccn(C)n1 ZINC000922856485 769648952 /nfs/dbraw/zinc/64/89/52/769648952.db2.gz ZOKCKJJIYFXVJY-SECBINFHSA-N -1 3 292.314 1.825 10 10 CDCEHM C[C@@H](C[S@@](C)=O)NC(=O)NCc1c([O-])cccc1F ZINC000921924293 771037241 /nfs/dbraw/zinc/03/72/41/771037241.db2.gz NROSKKVGWDVKMH-WPCRTTGESA-N -1 3 288.344 1.098 10 10 CDCEHM CCn1nccc1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452621 771038390 /nfs/dbraw/zinc/03/83/90/771038390.db2.gz UNCNCZIEWMPENL-UHFFFAOYSA-N -1 3 299.327 1.226 10 10 CDCEHM C[C@]12COC[C@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000855836339 771138184 /nfs/dbraw/zinc/13/81/84/771138184.db2.gz WXSWTVFVLZCBOU-OTYXRUKQSA-N -1 3 263.293 1.206 10 10 CDCEHM CC[C@@H](O)[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712610 771539654 /nfs/dbraw/zinc/53/96/54/771539654.db2.gz SOFXTYQDWNIBQC-GZMMTYOYSA-N -1 3 255.289 1.555 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@]1(O)CCSC1 ZINC000928705586 772013805 /nfs/dbraw/zinc/01/38/05/772013805.db2.gz LOQSAMVWKLPZHE-LBPRGKRZSA-N -1 3 271.313 1.016 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC2(C1)CCOCC2 ZINC000831867832 772015179 /nfs/dbraw/zinc/01/51/79/772015179.db2.gz JYZBGACIUYOCQK-UHFFFAOYSA-N -1 3 263.293 1.350 10 10 CDCEHM O=C(NCc1cscn1)c1cccc(O)c1[O-] ZINC000126420966 772171070 /nfs/dbraw/zinc/17/10/70/772171070.db2.gz IJGUWCIFSZKIAJ-UHFFFAOYSA-N -1 3 250.279 1.484 10 10 CDCEHM CCC[C@](C)(O)C(=O)NCc1c([O-])cccc1F ZINC000928705815 772259266 /nfs/dbraw/zinc/25/92/66/772259266.db2.gz NMQAOOMDZIBPRR-ZDUSSCGKSA-N -1 3 255.289 1.699 10 10 CDCEHM Cc1nc(NC(=O)NCc2c([O-])cccc2F)nn1C ZINC000931524842 772292012 /nfs/dbraw/zinc/29/20/12/772292012.db2.gz AIWSSYGLOYAEPZ-UHFFFAOYSA-N -1 3 279.275 1.290 10 10 CDCEHM O=C1NCC[C@@H]1NCc1c([O-])ccc(Cl)c1F ZINC000850342732 772391065 /nfs/dbraw/zinc/39/10/65/772391065.db2.gz JFCBCQZWAUBSNQ-QMMMGPOBSA-N -1 3 258.680 1.163 10 10 CDCEHM CCN1CN(Cc2cc(Cl)c(C)cc2[O-])CC1=O ZINC000825692993 772785091 /nfs/dbraw/zinc/78/50/91/772785091.db2.gz RAQBBGQDCVJKPW-UHFFFAOYSA-N -1 3 268.744 1.976 10 10 CDCEHM CC(=O)C(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000808539556 773046856 /nfs/dbraw/zinc/04/68/56/773046856.db2.gz GAYNUBOUIZLDCC-UHFFFAOYSA-N -1 3 282.267 1.555 10 10 CDCEHM CO[C@H]1C[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000923482831 773316747 /nfs/dbraw/zinc/31/67/47/773316747.db2.gz UZIMGNAHUVQLKZ-AOOOYVTPSA-N -1 3 282.315 1.756 10 10 CDCEHM CCN(C(=O)c1cccc(O)c1[O-])[C@H]1CCCOC1 ZINC000402701880 940907162 /nfs/dbraw/zinc/90/71/62/940907162.db2.gz PAAPRWKYUSWBIG-JTQLQIEISA-N -1 3 265.309 1.739 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N(CCO)Cc1cccnc1 ZINC001545910039 963205634 /nfs/dbraw/zinc/20/56/34/963205634.db2.gz DFJDQQIMVPQWRO-UHFFFAOYSA-N -1 3 288.303 1.128 10 10 CDCEHM O=C(NCc1ccc(O)cc1O)c1cccc(O)c1[O-] ZINC001451767855 968003843 /nfs/dbraw/zinc/00/38/43/968003843.db2.gz MOYWRBSSQDXKHZ-UHFFFAOYSA-N -1 3 275.260 1.439 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCn2ncnc21 ZINC001456029195 968850429 /nfs/dbraw/zinc/85/04/29/968850429.db2.gz KNOUXYARVABRQF-SECBINFHSA-N -1 3 290.298 1.317 10 10 CDCEHM CN1C[C@@H](NCc2cc(Cl)c(F)cc2[O-])CC1=O ZINC000294466983 199051288 /nfs/dbraw/zinc/05/12/88/199051288.db2.gz ZESPOZIRWFWXSI-QMMMGPOBSA-N -1 3 272.707 1.505 10 10 CDCEHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C(N)=O)O1 ZINC000092006645 360261187 /nfs/dbraw/zinc/26/11/87/360261187.db2.gz LCRHGJJZGLFFQY-PELKAZGASA-N -1 3 284.743 1.120 10 10 CDCEHM Cn1cc([C@@H](CO)NCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000293540949 378573435 /nfs/dbraw/zinc/57/34/35/378573435.db2.gz GAUUMCIGURHTHS-GFCCVEGCSA-N -1 3 299.733 1.741 10 10 CDCEHM COC[C@@H](CO)NCc1cc(Cl)c(F)cc1[O-] ZINC000294665370 378642388 /nfs/dbraw/zinc/64/23/88/378642388.db2.gz LTAJHMCFEQSXTH-MRVPVSSYSA-N -1 3 263.696 1.282 10 10 CDCEHM Cc1cc(I)c2c(c1[O-])CNC2=O ZINC000089211100 291926319 /nfs/dbraw/zinc/92/63/19/291926319.db2.gz FWNPAPGLHZACAY-UHFFFAOYSA-N -1 3 289.072 1.549 10 10 CDCEHM Cc1ccc(C(=O)N[C@H](C)[C@H](C)CO)c([O-])c1O ZINC000182820407 391245826 /nfs/dbraw/zinc/24/58/26/391245826.db2.gz CUFYKWUQCALYPE-RKDXNWHRSA-N -1 3 253.298 1.153 10 10 CDCEHM CNC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000184682310 262291314 /nfs/dbraw/zinc/29/13/14/262291314.db2.gz HSMXHUIKAKRXJP-NSHDSACASA-N -1 3 298.770 1.765 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)[N-]OCc1ccccn1 ZINC001626096745 1161502753 /nfs/dbraw/zinc/50/27/53/1161502753.db2.gz DLJNSZOVSMUSDN-UHFFFAOYSA-N -1 3 274.276 1.283 10 10 CDCEHM [O-]c1ccc(F)cc1CN1CCO[C@]2(CCCOC2)C1 ZINC000289657858 526349369 /nfs/dbraw/zinc/34/93/69/526349369.db2.gz YJZGZJDSAPFVHU-OAHLLOKOSA-N -1 3 281.327 1.913 10 10 CDCEHM C[C@@H](NCc1cn(C)nn1)c1cc(F)cc(F)c1[O-] ZINC000757657734 577048777 /nfs/dbraw/zinc/04/87/77/577048777.db2.gz QIZXLZINVRVZIZ-SSDOTTSWSA-N -1 3 268.267 1.650 10 10 CDCEHM CC1=NO[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928707016 620505234 /nfs/dbraw/zinc/50/52/34/620505234.db2.gz ZSCXWYIFWMHYMZ-NSHDSACASA-N -1 3 252.245 1.312 10 10 CDCEHM C[C@@H]1C[C@@H](C(=O)NCc2c([O-])cccc2F)[C@H](C)O1 ZINC000928707821 774891524 /nfs/dbraw/zinc/89/15/24/774891524.db2.gz CJQPOFRAFQJNHQ-KXUCPTDWSA-N -1 3 267.300 1.961 10 10 CDCEHM CN(C)C(=O)CCCC(=O)NCc1c([O-])cccc1F ZINC000928706279 776119289 /nfs/dbraw/zinc/11/92/89/776119289.db2.gz UHQGFFABSMLCND-UHFFFAOYSA-N -1 3 282.315 1.406 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)C1O ZINC000829282360 776243612 /nfs/dbraw/zinc/24/36/12/776243612.db2.gz YCMYRCBXMYRUKX-RKDXNWHRSA-N -1 3 265.309 1.187 10 10 CDCEHM COC(=O)[C@@](C)(CCF)NC(=O)c1cccc(O)c1[O-] ZINC000855910424 778685559 /nfs/dbraw/zinc/68/55/59/778685559.db2.gz MVPRGDBZLPPGSK-CYBMUJFWSA-N -1 3 285.271 1.119 10 10 CDCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ncnn1C ZINC000922159077 778812606 /nfs/dbraw/zinc/81/26/06/778812606.db2.gz DJOFRSKDSMXDOP-MRVPVSSYSA-N -1 3 293.302 1.220 10 10 CDCEHM O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ncccc2[O-])c1 ZINC000793258045 779859791 /nfs/dbraw/zinc/85/97/91/779859791.db2.gz GKMWBTZQBKKZLK-UHFFFAOYSA-N -1 3 275.264 1.691 10 10 CDCEHM CS[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000871095262 779879165 /nfs/dbraw/zinc/87/91/65/779879165.db2.gz OOIYWUVFOMIYBH-ZKCHVHJHSA-N -1 3 253.323 1.722 10 10 CDCEHM C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000235425430 779897807 /nfs/dbraw/zinc/89/78/07/779897807.db2.gz NBPPFBMXPBBVSI-ZDUSSCGKSA-N -1 3 253.273 1.970 10 10 CDCEHM C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000235425430 779897808 /nfs/dbraw/zinc/89/78/08/779897808.db2.gz NBPPFBMXPBBVSI-ZDUSSCGKSA-N -1 3 253.273 1.970 10 10 CDCEHM NC(=O)c1nccnc1NCc1c([O-])cccc1F ZINC001187676612 920601049 /nfs/dbraw/zinc/60/10/49/920601049.db2.gz DGJYXZLAGAXHDW-UHFFFAOYSA-N -1 3 262.244 1.032 10 10 CDCEHM CCCNC(=O)CCCC(=O)NCc1c([O-])cccc1F ZINC000928710312 933174487 /nfs/dbraw/zinc/17/44/87/933174487.db2.gz AXYWXOVSLCZIAL-UHFFFAOYSA-N -1 3 296.342 1.844 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1Cc2cccnc2C1 ZINC001347389419 965504057 /nfs/dbraw/zinc/50/40/57/965504057.db2.gz FTTWSDQCHYAJAN-NSHDSACASA-N -1 3 286.306 1.958 10 10 CDCEHM COC(=O)c1cc(NCc2c([O-])cccc2F)ncn1 ZINC001458620741 969322080 /nfs/dbraw/zinc/32/20/80/969322080.db2.gz OTQALIFHDBAHIH-UHFFFAOYSA-N -1 3 277.255 1.720 10 10 CDCEHM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cccc(O)c1[O-] ZINC000529790194 360996574 /nfs/dbraw/zinc/99/65/74/360996574.db2.gz AQCJOALYLILOHX-RMLUDKJBSA-N -1 3 263.293 1.395 10 10 CDCEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000529974797 368101615 /nfs/dbraw/zinc/10/16/15/368101615.db2.gz CWHSMLFRBPOHGK-UOKLYIGXSA-N -1 3 265.309 1.640 10 10 CDCEHM CC1(C)[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H]2CCO[C@H]21 ZINC000251551729 329930926 /nfs/dbraw/zinc/93/09/26/329930926.db2.gz HPKCZNQICSJULN-ZWKOPEQDSA-N -1 3 277.320 1.641 10 10 CDCEHM O=C(NCc1cc(Cl)ccc1[O-])NCC1COC1 ZINC000528307277 330320425 /nfs/dbraw/zinc/32/04/25/330320425.db2.gz SPBHSNBHJZBFCC-UHFFFAOYSA-N -1 3 270.716 1.491 10 10 CDCEHM Cn1nncc1CNCc1cccc(Cl)c1[O-] ZINC000290159588 527652079 /nfs/dbraw/zinc/65/20/79/527652079.db2.gz LTODELUMSBNGBD-UHFFFAOYSA-N -1 3 252.705 1.464 10 10 CDCEHM O=C(NCC1(O)Cc2ccccc2C1)c1cc([O-])cs1 ZINC000738550953 576087367 /nfs/dbraw/zinc/08/73/67/576087367.db2.gz FKNWMBNEJIHQRZ-UHFFFAOYSA-N -1 3 289.356 1.713 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](O)[C@@H](F)C2)c1[O-] ZINC000934573781 617664049 /nfs/dbraw/zinc/66/40/49/617664049.db2.gz HBUVPCPBJHVESE-QWHCGFSZSA-N -1 3 285.290 1.639 10 10 CDCEHM CC(C)NC(=O)CCNC(=O)NCc1c([O-])cccc1F ZINC000914002685 630949086 /nfs/dbraw/zinc/94/90/86/630949086.db2.gz PDXCALRISHHTIF-UHFFFAOYSA-N -1 3 297.330 1.245 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cccc2ncnn21 ZINC001635366554 1166581070 /nfs/dbraw/zinc/58/10/70/1166581070.db2.gz AVMQKFCHPFQXCA-UHFFFAOYSA-N -1 3 286.266 1.504 10 10 CDCEHM Cc1cnc(C(=O)NCc2c([O-])cccc2F)cn1 ZINC001645046058 1167360567 /nfs/dbraw/zinc/36/05/67/1167360567.db2.gz NXMSMOFXRYJBKR-UHFFFAOYSA-N -1 3 261.256 1.560 10 10 CDCEHM O=C(C=Cc1cccnc1)N1CCCc2c(=O)[n-]cnc21 ZINC001595852523 1174218636 /nfs/dbraw/zinc/21/86/36/1174218636.db2.gz NQEWRMPAFXFHFP-AATRIKPKSA-N -1 3 282.303 1.570 10 10 CDCEHM COC[C@]1(C(=O)OC)CCCN1Cc1cc(F)ccc1[O-] ZINC000827489463 783039748 /nfs/dbraw/zinc/03/97/48/783039748.db2.gz RHLUMKNPXXOXEF-HNNXBMFYSA-N -1 3 297.326 1.685 10 10 CDCEHM COCC(C)(C)CCNC(=O)c1cccc(O)c1[O-] ZINC000718952506 780250106 /nfs/dbraw/zinc/25/01/06/780250106.db2.gz TWTYMFCYJUPBKV-UHFFFAOYSA-N -1 3 267.325 1.890 10 10 CDCEHM CC[C@@](C)(CC(=O)OC)NC(=O)c1cccc(O)c1[O-] ZINC001635054680 1166558328 /nfs/dbraw/zinc/55/83/28/1166558328.db2.gz LDRFTGXYMSMYMW-AWEZNQCLSA-N -1 3 281.308 1.559 10 10 CDCEHM NC(=O)N[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000690736393 896725980 /nfs/dbraw/zinc/72/59/80/896725980.db2.gz ZAXAMZALRCTVMT-VIFPVBQESA-N -1 3 269.732 1.288 10 10 CDCEHM O=C(NCC[C@H]1CCSC1)c1cccc(O)c1[O-] ZINC000704894919 922923150 /nfs/dbraw/zinc/92/31/50/922923150.db2.gz GJVMQAORGITXNP-VIFPVBQESA-N -1 3 267.350 1.971 10 10 CDCEHM COC(=O)/C(C)=C\CNC(=O)NCc1c([O-])cccc1F ZINC000925013044 932842894 /nfs/dbraw/zinc/84/28/94/932842894.db2.gz SGPUVXJQBZPPDG-TWGQIWQCSA-N -1 3 296.298 1.450 10 10 CDCEHM COCCC1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928706562 933174543 /nfs/dbraw/zinc/17/45/43/933174543.db2.gz XHBJYJVUBLWVDS-UHFFFAOYSA-N -1 3 267.300 1.964 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccns1 ZINC001456029525 968850713 /nfs/dbraw/zinc/85/07/13/968850713.db2.gz OFELUNQRBGZMDX-UHFFFAOYSA-N -1 3 252.270 1.918 10 10 CDCEHM C[C@@H]1[C@H](O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000295993860 357592462 /nfs/dbraw/zinc/59/24/62/357592462.db2.gz JNWLSRPYNOCPLJ-PSASIEDQSA-N -1 3 251.282 1.083 10 10 CDCEHM CC[C@H](CO)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271196234 364971504 /nfs/dbraw/zinc/97/15/04/364971504.db2.gz TUTBOEXNBHVPMQ-GFCCVEGCSA-N -1 3 298.814 1.934 10 10 CDCEHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC(=O)N1C ZINC000800538144 781962768 /nfs/dbraw/zinc/96/27/68/781962768.db2.gz KSSYEBXBKUHTEN-SECBINFHSA-N -1 3 268.744 1.708 10 10 CDCEHM CC(C)NC(=O)CN(C)Cc1cccc(F)c1[O-] ZINC000160220945 390945534 /nfs/dbraw/zinc/94/55/34/390945534.db2.gz IBZJDXXYBCVJRK-UHFFFAOYSA-N -1 3 254.305 1.488 10 10 CDCEHM [O-]c1ccccc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000179572513 391211978 /nfs/dbraw/zinc/21/19/78/391211978.db2.gz BSRKLMSDFYVMHP-CQSZACIVSA-N -1 3 273.336 1.490 10 10 CDCEHM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000126479920 260353111 /nfs/dbraw/zinc/35/31/11/260353111.db2.gz KOKUWYJMOWVRJI-VXGBXAGGSA-N -1 3 290.363 1.797 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]2COCC[C@H]21 ZINC000790905424 1162176767 /nfs/dbraw/zinc/17/67/67/1162176767.db2.gz OGTMHHQTGDTPNK-CMPLNLGQSA-N -1 3 277.320 1.739 10 10 CDCEHM Cc1ccc(C(=O)NCC[C@H]2CCOC2)c([O-])c1O ZINC000753240199 574740302 /nfs/dbraw/zinc/74/03/02/574740302.db2.gz OYTMYHJJWTZQHG-JTQLQIEISA-N -1 3 265.309 1.563 10 10 CDCEHM CO[C@@H](C)c1noc(CN(C)C(=O)c2cc([O-])cs2)n1 ZINC000747943723 576889957 /nfs/dbraw/zinc/88/99/57/576889957.db2.gz IHIBQEFRZQAEOU-ZETCQYMHSA-N -1 3 297.336 1.816 10 10 CDCEHM C[C@H]1OCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928704507 620502881 /nfs/dbraw/zinc/50/28/81/620502881.db2.gz AGZDUIYFZDIPGI-RKDXNWHRSA-N -1 3 253.273 1.573 10 10 CDCEHM COc1c(C(=O)NCc2c([O-])cccc2F)c(C)nn1C ZINC000928706706 620505339 /nfs/dbraw/zinc/50/53/39/620505339.db2.gz YEZROXMISJIPCY-UHFFFAOYSA-N -1 3 293.298 1.512 10 10 CDCEHM C[C@@H](O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001168136003 907359905 /nfs/dbraw/zinc/35/99/05/907359905.db2.gz RBNDUVFBRPUGDC-QMTHXVAHSA-N -1 3 287.315 1.950 10 10 CDCEHM Cc1n[nH]c(C)c1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452394 914936960 /nfs/dbraw/zinc/93/69/60/914936960.db2.gz NULKKUWNLASSNL-UHFFFAOYSA-N -1 3 299.327 1.350 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@H](CC(N)=O)C2)c(Cl)c1 ZINC000862535457 929423862 /nfs/dbraw/zinc/42/38/62/929423862.db2.gz NSFHTKNZKWLLCA-SNVBAGLBSA-N -1 3 298.770 1.430 10 10 CDCEHM C[C@H](C(=O)NCc1c([O-])cccc1F)c1cnn(C)c1 ZINC000928706260 933174167 /nfs/dbraw/zinc/17/41/67/933174167.db2.gz TYZVIFXCUOIKIS-VIFPVBQESA-N -1 3 277.299 1.685 10 10 CDCEHM CC(=O)N[C@H](CC(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928709656 933174363 /nfs/dbraw/zinc/17/43/63/933174363.db2.gz KISQPCIHJVGJPG-CYBMUJFWSA-N -1 3 296.342 1.698 10 10 CDCEHM O=C(C[C@@H]1COC(=O)C1)NCc1c([O-])cccc1F ZINC000928706526 933174491 /nfs/dbraw/zinc/17/44/91/933174491.db2.gz VVRIQPGYPNCEKV-QMMMGPOBSA-N -1 3 267.256 1.101 10 10 CDCEHM Cn1nc(C2CC2)cc1NC(=O)c1cccc(O)c1[O-] ZINC001324480924 953409154 /nfs/dbraw/zinc/40/91/54/953409154.db2.gz BUDFTUDWMGAULG-UHFFFAOYSA-N -1 3 273.292 1.961 10 10 CDCEHM O=C(Cn1cc(C2CC2)nn1)NCc1c([O-])cccc1F ZINC001332478438 957581272 /nfs/dbraw/zinc/58/12/72/957581272.db2.gz URYFVFUYHGPFIG-UHFFFAOYSA-N -1 3 290.298 1.317 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccnn1CC(F)F ZINC001456027298 968850283 /nfs/dbraw/zinc/85/02/83/968850283.db2.gz DRYJLGSMFKEBBQ-UHFFFAOYSA-N -1 3 299.252 1.923 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000375309039 370805491 /nfs/dbraw/zinc/80/54/91/370805491.db2.gz MNQYZKXBZBKXSS-CYBMUJFWSA-N -1 3 279.311 1.691 10 10 CDCEHM COc1cc(Cl)cc(CN2CC(=O)N(C)[C@@H](C)C2)c1[O-] ZINC000282848627 368067479 /nfs/dbraw/zinc/06/74/79/368067479.db2.gz WFZZFKVWXHHWSI-VIFPVBQESA-N -1 3 298.770 1.717 10 10 CDCEHM Cc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)c([O-])c1O ZINC000179459319 391206396 /nfs/dbraw/zinc/20/63/96/391206396.db2.gz DAZKDAFQKPCDTM-LBPRGKRZSA-N -1 3 290.363 1.717 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H]2CCCC[C@H]21 ZINC000126350087 260350700 /nfs/dbraw/zinc/35/07/00/260350700.db2.gz YXWCYYCSBMKPJO-DGCLKSJQSA-N -1 3 277.320 1.881 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([O-])c1O ZINC000529986591 333516676 /nfs/dbraw/zinc/51/66/76/333516676.db2.gz YFUAKNGWNZKDFB-SVDPJWKOSA-N -1 3 279.336 1.948 10 10 CDCEHM COCCN1CCC[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000732284985 575086896 /nfs/dbraw/zinc/08/68/96/575086896.db2.gz LHMVSQYPMKEGOO-JTQLQIEISA-N -1 3 284.381 1.294 10 10 CDCEHM CNc1nnc(CC(=O)NCc2c([O-])cccc2F)s1 ZINC000928708413 620505870 /nfs/dbraw/zinc/50/58/70/620505870.db2.gz LARJOQQNUJYSEB-UHFFFAOYSA-N -1 3 296.327 1.283 10 10 CDCEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C1=CC(=O)CS1 ZINC001621421741 1165691238 /nfs/dbraw/zinc/69/12/38/1165691238.db2.gz CVALUMGBAUDCPF-UHFFFAOYSA-N -1 3 267.266 1.216 10 10 CDCEHM O=C(COCc1ccncc1)NCc1c([O-])cccc1F ZINC001635366564 1166582146 /nfs/dbraw/zinc/58/21/46/1166582146.db2.gz BGXCBODNIOGGQW-UHFFFAOYSA-N -1 3 290.294 1.759 10 10 CDCEHM CN(C)c1ncc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000185883549 785330207 /nfs/dbraw/zinc/33/02/07/785330207.db2.gz FOJYOLGGUPZDLI-UHFFFAOYSA-N -1 3 274.280 1.206 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000838321218 786822251 /nfs/dbraw/zinc/82/22/51/786822251.db2.gz WMQHJOPHMFHEOG-YUMQZZPRSA-N -1 3 251.307 1.428 10 10 CDCEHM C[C@@H](N[C@@H](CO)c1ccnn1C)c1cc(F)cc(F)c1[O-] ZINC000858434830 786824180 /nfs/dbraw/zinc/82/41/80/786824180.db2.gz QRWKHQJSCPXLHN-PELKAZGASA-N -1 3 297.305 1.788 10 10 CDCEHM CN(CC(=O)NC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000186793987 786830956 /nfs/dbraw/zinc/83/09/56/786830956.db2.gz UFJIAJIZIPMTBL-UHFFFAOYSA-N -1 3 280.324 1.085 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CO[C@H](C2CC2)C1 ZINC000923460647 787079241 /nfs/dbraw/zinc/07/92/41/787079241.db2.gz ANRZPLYYOMYGSF-YGRLFVJLSA-N -1 3 294.326 1.898 10 10 CDCEHM [O-]c1cccc(Cl)c1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000802657223 788848632 /nfs/dbraw/zinc/84/86/32/788848632.db2.gz WLXDKHBXISJKJP-AOOOYVTPSA-N -1 3 269.728 1.645 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](C(F)F)C1 ZINC000801423708 789742244 /nfs/dbraw/zinc/74/22/44/789742244.db2.gz HBCZCHYIRRPJPF-SECBINFHSA-N -1 3 273.235 1.204 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1csnn1 ZINC001646028384 1167616745 /nfs/dbraw/zinc/61/67/45/1167616745.db2.gz HMUIFPLBSUFORR-UHFFFAOYSA-N -1 3 253.258 1.313 10 10 CDCEHM Cc1nc([C@H](C)NC(=O)NCc2c([O-])cccc2F)no1 ZINC001478762414 971243357 /nfs/dbraw/zinc/24/33/57/971243357.db2.gz TZGWMMGYQSWEFN-ZETCQYMHSA-N -1 3 294.286 1.783 10 10 CDCEHM O=C(N[C@H]1COc2ccccc2C1=O)c1cccc(O)c1[O-] ZINC001295088946 954606069 /nfs/dbraw/zinc/60/60/69/954606069.db2.gz LRDHFYZGBJHQJO-NSHDSACASA-N -1 3 299.282 1.472 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccc(CO)nc1 ZINC001456028412 968851213 /nfs/dbraw/zinc/85/12/13/968851213.db2.gz IGIXCCYTLVJSIL-UHFFFAOYSA-N -1 3 276.267 1.349 10 10 CDCEHM [N-]=[N+]=C1C(=O)C[C@H](S(=O)(=O)[O-])c2ccccc21 ZINC000575346338 364042375 /nfs/dbraw/zinc/04/23/75/364042375.db2.gz XZHKQCIXSLIOAC-VIFPVBQESA-O -1 3 253.259 1.099 10 10 CDCEHM COc1cc(Cl)cc(CN2CC[C@H](NC(N)=O)C2)c1[O-] ZINC000273736123 365520309 /nfs/dbraw/zinc/52/03/09/365520309.db2.gz LAOJXGMWNQSEPT-JTQLQIEISA-N -1 3 299.758 1.297 10 10 CDCEHM Nc1nc(CN=Nc2ccc([N+](=O)[O-])cc2)cc(=O)[n-]1 ZINC000067350902 377023444 /nfs/dbraw/zinc/02/34/44/377023444.db2.gz LUFVAKBBAVXMOG-DTQAZKPQSA-N -1 3 274.240 1.544 10 10 CDCEHM C[C@@H](CS(C)(=O)=O)NCc1cc(Cl)c(F)cc1[O-] ZINC000293539257 378582043 /nfs/dbraw/zinc/58/20/43/378582043.db2.gz FSRPYPWHSORVNF-ZETCQYMHSA-N -1 3 295.763 1.707 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC(O)(C3CC3)C2)c1[O-] ZINC000372691700 260004927 /nfs/dbraw/zinc/00/49/27/260004927.db2.gz KHYYJLLJZUHGGL-UHFFFAOYSA-N -1 3 279.311 1.691 10 10 CDCEHM CC(=O)N1CCN(Cc2cccc(F)c2[O-])[C@H](C)C1 ZINC000272327188 391311450 /nfs/dbraw/zinc/31/14/50/391311450.db2.gz VLQMXLBLHMODTI-SNVBAGLBSA-N -1 3 266.316 1.584 10 10 CDCEHM CCNC(=O)N1CC[C@H](NCc2c([O-])cccc2Cl)C1 ZINC000152717084 261068705 /nfs/dbraw/zinc/06/87/05/261068705.db2.gz PKWLCMBKGZPMSK-JTQLQIEISA-N -1 3 297.786 1.939 10 10 CDCEHM CO[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000380782115 1160679171 /nfs/dbraw/zinc/67/91/71/1160679171.db2.gz YVWIZCJQIQVBQZ-RKDXNWHRSA-N -1 3 251.282 1.395 10 10 CDCEHM Cc1cc([O-])c(CN2CCN3C(=O)N=NC3C2)c(Cl)c1 ZINC000840939944 617635381 /nfs/dbraw/zinc/63/53/81/617635381.db2.gz RUTMUOHIHADSEO-UHFFFAOYSA-N -1 3 294.742 1.667 10 10 CDCEHM COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(F)ccc1[O-] ZINC000895866581 619881019 /nfs/dbraw/zinc/88/10/19/619881019.db2.gz XXEPYELHOHFIJW-STQMWFEESA-N -1 3 297.326 1.732 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCc2n[nH]cc2C1 ZINC000928705825 620504520 /nfs/dbraw/zinc/50/45/20/620504520.db2.gz NWXOLWQHDMBHSX-VIFPVBQESA-N -1 3 289.310 1.676 10 10 CDCEHM O=C(/C=C\c1ccc(O)c(O)c1)NCc1ncccc1[O-] ZINC000792618934 1162337727 /nfs/dbraw/zinc/33/77/27/1162337727.db2.gz FAGPUYWYQOBPPF-XQRVVYSFSA-N -1 3 286.287 1.528 10 10 CDCEHM CO[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000380782109 1160679007 /nfs/dbraw/zinc/67/90/07/1160679007.db2.gz YVWIZCJQIQVBQZ-BDAKNGLRSA-N -1 3 251.282 1.395 10 10 CDCEHM Cn1ncc(NC(=O)c2cccc(O)c2[O-])c1C1CC1 ZINC000790937265 1162176437 /nfs/dbraw/zinc/17/64/37/1162176437.db2.gz NOSHTSNGRSKJMJ-UHFFFAOYSA-N -1 3 273.292 1.961 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccnc(F)c1 ZINC001635361004 1166580910 /nfs/dbraw/zinc/58/09/10/1166580910.db2.gz WGAWXINTYPORFG-UHFFFAOYSA-N -1 3 264.231 1.995 10 10 CDCEHM CC(C)(CNC(=O)c1cccc(O)c1[O-])[C@]1(O)CCOC1 ZINC000844042232 791097908 /nfs/dbraw/zinc/09/79/08/791097908.db2.gz UNSZZKCJWJIECJ-HNNXBMFYSA-N -1 3 295.335 1.005 10 10 CDCEHM CCN(OC)C(=O)CNCc1c([O-])ccc(Cl)c1F ZINC000842768587 792790166 /nfs/dbraw/zinc/79/01/66/792790166.db2.gz BQHRZBALKDKYSU-UHFFFAOYSA-N -1 3 290.722 1.684 10 10 CDCEHM COC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000776656254 792831247 /nfs/dbraw/zinc/83/12/47/792831247.db2.gz SDECYPWSUZKSGR-NSHDSACASA-N -1 3 281.308 1.415 10 10 CDCEHM [O-]c1ccc(Cl)c(F)c1CNC1COCCOC1 ZINC000813789602 793814672 /nfs/dbraw/zinc/81/46/72/793814672.db2.gz VIRGQORJJROVOV-UHFFFAOYSA-N -1 3 275.707 1.690 10 10 CDCEHM CC(=O)N[C@@H](C(=O)NCc1c([O-])cccc1F)C(C)C ZINC000928711083 795024709 /nfs/dbraw/zinc/02/47/09/795024709.db2.gz ZXJACJHJIJHFQG-CYBMUJFWSA-N -1 3 282.315 1.308 10 10 CDCEHM O=C(CCCn1cccn1)NCc1c([O-])cccc1F ZINC000928712251 795132074 /nfs/dbraw/zinc/13/20/74/795132074.db2.gz PHHJDKUCOOFWIG-UHFFFAOYSA-N -1 3 277.299 1.824 10 10 CDCEHM CCOC(=O)C1(C(=O)NCc2c([O-])cccc2F)CCC1 ZINC000928705233 796209330 /nfs/dbraw/zinc/20/93/30/796209330.db2.gz HYMZHLUHHPMGTD-UHFFFAOYSA-N -1 3 295.310 1.881 10 10 CDCEHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCCCN(C)C1=O ZINC000870603018 796309243 /nfs/dbraw/zinc/30/92/43/796309243.db2.gz BXZQFCZIBCIILD-NSHDSACASA-N -1 3 292.335 1.181 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cc[nH]c(=O)c1 ZINC001638862554 1166880077 /nfs/dbraw/zinc/88/00/77/1166880077.db2.gz AVASKQKPMKYHKI-UHFFFAOYSA-N -1 3 262.240 1.562 10 10 CDCEHM O=C(NCc1cccc(O)c1O)c1cccc(O)c1[O-] ZINC001176565739 914183640 /nfs/dbraw/zinc/18/36/40/914183640.db2.gz OMAAMTJFCUNEEK-UHFFFAOYSA-N -1 3 275.260 1.439 10 10 CDCEHM CN1CCCc2cc(CNC(=O)c3cnncc3[O-])ccc21 ZINC001142469992 937017581 /nfs/dbraw/zinc/01/75/81/937017581.db2.gz QEWBXWQOVZAKAA-UHFFFAOYSA-N -1 3 298.346 1.495 10 10 CDCEHM C[C@@H](N[C@H](CO)c1ccnn1C)c1ccc(F)cc1[O-] ZINC000858434422 928860447 /nfs/dbraw/zinc/86/04/47/928860447.db2.gz GNVXEVLOKGAPTK-BXKDBHETSA-N -1 3 279.315 1.649 10 10 CDCEHM CN(C)c1ccc(CNC(=O)c2cnncc2[O-])cc1 ZINC001135825175 930443017 /nfs/dbraw/zinc/44/30/17/930443017.db2.gz INYQQXBUBLHMNG-UHFFFAOYSA-N -1 3 272.308 1.178 10 10 CDCEHM COC(=O)[C@@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC001556148336 965001587 /nfs/dbraw/zinc/00/15/87/965001587.db2.gz CJMJVNLBEQJBKI-NSHDSACASA-N -1 3 293.319 1.656 10 10 CDCEHM O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC001557270813 965160773 /nfs/dbraw/zinc/16/07/73/965160773.db2.gz LNEQCSGEMNDHDF-CKYFFXLPSA-N -1 3 263.293 1.395 10 10 CDCEHM Cc1ccc(C(=O)N2CCC(=O)[C@@H](C)C2)c([O-])c1O ZINC000193935666 391348317 /nfs/dbraw/zinc/34/83/17/391348317.db2.gz CDZFRMDSLXNTAY-VIFPVBQESA-N -1 3 263.293 1.457 10 10 CDCEHM Cc1ccc(C(=O)N2CCC(=O)[C@H](C)C2)c([O-])c1O ZINC000193935650 292050371 /nfs/dbraw/zinc/05/03/71/292050371.db2.gz CDZFRMDSLXNTAY-SECBINFHSA-N -1 3 263.293 1.457 10 10 CDCEHM Cc1ccc(C(=O)N2CCOCC[C@@H]2C)c([O-])c1O ZINC000373317422 267663964 /nfs/dbraw/zinc/66/39/64/267663964.db2.gz MFOXVFQIGKKDNL-JTQLQIEISA-N -1 3 265.309 1.657 10 10 CDCEHM COC(=O)[C@H]1C[C@H](OC)CN1Cc1ccccc1[O-] ZINC000180150173 329217803 /nfs/dbraw/zinc/21/78/03/329217803.db2.gz VTWQZTBVIKZFSU-NWDGAFQWSA-N -1 3 265.309 1.155 10 10 CDCEHM CNC(=O)[C@@H]1CN(Cc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000182438045 329239411 /nfs/dbraw/zinc/23/94/11/329239411.db2.gz DSCIGRQMGDSPJN-LBPRGKRZSA-N -1 3 298.770 1.301 10 10 CDCEHM CCn1ncc(CN[C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000527923560 330296059 /nfs/dbraw/zinc/29/60/59/330296059.db2.gz LDTNDTDBQCPGCH-VIFPVBQESA-N -1 3 264.304 1.994 10 10 CDCEHM CC[C@H](CO)N1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000769503477 575353770 /nfs/dbraw/zinc/35/37/70/575353770.db2.gz ZPCHSVOTJRVCEU-CYBMUJFWSA-N -1 3 294.395 1.289 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCO[C@@]2(CCOC2)C1 ZINC000769654700 575367832 /nfs/dbraw/zinc/36/78/32/575367832.db2.gz REDXULMFPGCCAB-LBPRGKRZSA-N -1 3 269.322 1.085 10 10 CDCEHM O=C(NCC1(CCO)CCC1)c1cc([O-])cs1 ZINC000764861775 575954098 /nfs/dbraw/zinc/95/40/98/575954098.db2.gz GKKVCYGKKJHCCK-UHFFFAOYSA-N -1 3 255.339 1.736 10 10 CDCEHM NC(=O)C[C@@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000765202379 575997381 /nfs/dbraw/zinc/99/73/81/575997381.db2.gz FEELUHBDLPNGSS-QMMMGPOBSA-N -1 3 268.338 1.324 10 10 CDCEHM COc1cccc([O-])c1CN1CCN(C2CC2)C(=O)C1 ZINC000769426168 576353339 /nfs/dbraw/zinc/35/33/39/576353339.db2.gz NFPYFSKMNZCFIJ-UHFFFAOYSA-N -1 3 276.336 1.207 10 10 CDCEHM [O-]c1cccc(Cl)c1CN1CCN2CCOC[C@H]2C1 ZINC000757931306 577061553 /nfs/dbraw/zinc/06/15/53/577061553.db2.gz YTSOBEWULATZAP-LLVKDONJSA-N -1 3 282.771 1.562 10 10 CDCEHM CC[C@H](COC)NC(=O)NCc1c([O-])cccc1F ZINC000919721856 632664228 /nfs/dbraw/zinc/66/42/28/632664228.db2.gz ZHIMQEKODMAJLM-SECBINFHSA-N -1 3 270.304 1.756 10 10 CDCEHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001622779940 1165739180 /nfs/dbraw/zinc/73/91/80/1165739180.db2.gz YVTWUEDQVSOMBR-MRVPVSSYSA-N -1 3 289.291 1.387 10 10 CDCEHM O=C(NCc1c(O)ccc2ccccc21)c1cnncc1[O-] ZINC001635969314 1166637709 /nfs/dbraw/zinc/63/77/09/1166637709.db2.gz PAOUWHIFHRXLNM-UHFFFAOYSA-N -1 3 295.298 1.971 10 10 CDCEHM CCCCN(CCO)C(=O)c1cccc(O)c1[O-] ZINC000126291433 1175450021 /nfs/dbraw/zinc/45/00/21/1175450021.db2.gz ATIUWNAISUFCQO-UHFFFAOYSA-N -1 3 253.298 1.332 10 10 CDCEHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)c1ccccc1O ZINC000867836277 1164872607 /nfs/dbraw/zinc/87/26/07/1164872607.db2.gz MGSFPSYBVDZWRO-QMMMGPOBSA-N -1 3 282.321 1.728 10 10 CDCEHM C/C=C\CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000863116927 796592309 /nfs/dbraw/zinc/59/23/09/796592309.db2.gz CRHXOTHTASEURD-ARJAWSKDSA-N -1 3 284.337 1.070 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1n[nH]c2c1CCC2 ZINC000928712003 797369200 /nfs/dbraw/zinc/36/92/00/797369200.db2.gz MZGAFTONXKQODP-UHFFFAOYSA-N -1 3 275.283 1.673 10 10 CDCEHM C[C@@]12COC[C@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000855836341 928492608 /nfs/dbraw/zinc/49/26/08/928492608.db2.gz WXSWTVFVLZCBOU-YMTOWFKASA-N -1 3 263.293 1.206 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@@H]1CCO ZINC000803624466 936148621 /nfs/dbraw/zinc/14/86/21/936148621.db2.gz VLZLILBJLJYSFX-LLVKDONJSA-N -1 3 279.336 1.865 10 10 CDCEHM C[C@H](O)c1ncc(C(=O)NCc2c([O-])cccc2F)s1 ZINC001652298691 1171421344 /nfs/dbraw/zinc/42/13/44/1171421344.db2.gz NGJJOYRSPAQLCC-ZETCQYMHSA-N -1 3 296.323 1.971 10 10 CDCEHM COC(=O)[C@H]1CN(Cc2ccccc2[O-])C[C@@H](C)O1 ZINC000179586372 329210079 /nfs/dbraw/zinc/21/00/79/329210079.db2.gz FWXFGNVLQANFER-ZWNOBZJWSA-N -1 3 265.309 1.155 10 10 CDCEHM C[S@](=O)[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001649110248 1161382343 /nfs/dbraw/zinc/38/23/43/1161382343.db2.gz XPXSILZTJFFSKQ-MGOSUKFUSA-N -1 3 283.349 1.127 10 10 CDCEHM CC(C)(C)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731912654 575070621 /nfs/dbraw/zinc/07/06/21/575070621.db2.gz WXQCKXPBQDMXOA-UHFFFAOYSA-N -1 3 257.311 1.525 10 10 CDCEHM CN(Cc1cc(Cl)ccc1[O-])C1CS(=O)(=O)C1 ZINC000895401146 619633020 /nfs/dbraw/zinc/63/30/20/619633020.db2.gz UZZXJVIWKHAZSS-UHFFFAOYSA-N -1 3 275.757 1.274 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1(C(=O)C2CC2)CC1 ZINC000928706811 620505079 /nfs/dbraw/zinc/50/50/79/620505079.db2.gz VLCZPRBYKQNGLD-UHFFFAOYSA-N -1 3 277.295 1.907 10 10 CDCEHM CCC/C=C/[C@@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928710516 620506572 /nfs/dbraw/zinc/50/65/72/620506572.db2.gz UFHPURAECYEWSX-WXJAXGNASA-N -1 3 267.300 1.865 10 10 CDCEHM CCOC(=O)[C@@H](C(=O)NCc1c([O-])cccc1F)C(C)C ZINC000928710237 620506775 /nfs/dbraw/zinc/50/67/75/620506775.db2.gz QWJFFWDUZHGQGY-CYBMUJFWSA-N -1 3 297.326 1.983 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnc2c[nH]nc2c1 ZINC001638866911 1166880145 /nfs/dbraw/zinc/88/01/45/1166880145.db2.gz SZSNPJUIRUIZSB-UHFFFAOYSA-N -1 3 286.266 1.733 10 10 CDCEHM O=C(N[C@H]1CCC2(C1)OCCO2)c1cccc(O)c1[O-] ZINC001566944320 1168476982 /nfs/dbraw/zinc/47/69/82/1168476982.db2.gz CYOOPMHMPKXSKQ-VIFPVBQESA-N -1 3 279.292 1.123 10 10 CDCEHM Cc1nc2ccccn2c1CNC(=O)c1cccc(O)c1[O-] ZINC001648489590 1169133819 /nfs/dbraw/zinc/13/38/19/1169133819.db2.gz RTTBYIAVJDLQTL-UHFFFAOYSA-N -1 3 297.314 1.984 10 10 CDCEHM COc1ccc(C(=O)NCc2cc(O)ccc2O)c([O-])c1 ZINC001593873731 1174174401 /nfs/dbraw/zinc/17/44/01/1174174401.db2.gz YTMFZJHHUHYHDE-UHFFFAOYSA-N -1 3 289.287 1.742 10 10 CDCEHM COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000844006916 805041743 /nfs/dbraw/zinc/04/17/43/805041743.db2.gz FCEYPBNTPDRVSX-SNVBAGLBSA-N -1 3 295.335 1.805 10 10 CDCEHM COCc1nnc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])[n-]1 ZINC000850514746 812853068 /nfs/dbraw/zinc/85/30/68/812853068.db2.gz QEETVMXFRJJWAG-QMMMGPOBSA-N -1 3 280.303 1.647 10 10 CDCEHM C[C@H]1COCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922202967 813376849 /nfs/dbraw/zinc/37/68/49/813376849.db2.gz SVOKUKSATFPUSI-JOYOIKCWSA-N -1 3 282.315 1.756 10 10 CDCEHM COC(=O)[C@H](CF)NCc1cc(Cl)ccc1[O-] ZINC000809776290 813860815 /nfs/dbraw/zinc/86/08/15/813860815.db2.gz ACBILPWWHLUBAO-VIFPVBQESA-N -1 3 261.680 1.646 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)NOC[C@@H]1CCOC1 ZINC000922148993 814613404 /nfs/dbraw/zinc/61/34/04/814613404.db2.gz JJEZBINPTXAONI-SECBINFHSA-N -1 3 284.287 1.299 10 10 CDCEHM Cc1cc([O-])c(CNCc2nnnn2C2CC2)c(Cl)c1 ZINC000840900769 817099771 /nfs/dbraw/zinc/09/97/71/817099771.db2.gz DLXOMRGQEXICPW-UHFFFAOYSA-N -1 3 293.758 1.965 10 10 CDCEHM CC1(C)[C@H]2[C@H](CCCN2C(=O)c2cccc(O)c2[O-])[C@@H]1O ZINC000869823990 817828156 /nfs/dbraw/zinc/82/81/56/817828156.db2.gz KSUKULZQAWLYSR-GDLCADMTSA-N -1 3 291.347 1.719 10 10 CDCEHM CC[C@@]1(C)COCCN1C(=O)c1cccc(O)c1[O-] ZINC000707237202 896090768 /nfs/dbraw/zinc/09/07/68/896090768.db2.gz YZKAUYHDSAEADS-AWEZNQCLSA-N -1 3 265.309 1.739 10 10 CDCEHM O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1cccc(O)c1[O-] ZINC000691425815 928415184 /nfs/dbraw/zinc/41/51/84/928415184.db2.gz FNFOPPYKEYWYAS-CABZTGNLSA-N -1 3 263.293 1.395 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H](O)C1CCC1 ZINC000928706690 933174432 /nfs/dbraw/zinc/17/44/32/933174432.db2.gz VDLRJXYHBYJRPR-LBPRGKRZSA-N -1 3 253.273 1.309 10 10 CDCEHM CCOC1CC2(C[C@@H]2NC(=O)c2cccc(O)c2[O-])C1 ZINC000721160337 935319113 /nfs/dbraw/zinc/31/91/13/935319113.db2.gz QFSBJIXYFNOLLF-RHJSQNMRSA-N -1 3 277.320 1.785 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)[N-]OC1CCCC1 ZINC001295619838 954713084 /nfs/dbraw/zinc/71/30/84/954713084.db2.gz VWFJRVKDGMNKPX-UHFFFAOYSA-N -1 3 251.282 1.631 10 10 CDCEHM O=C(NCc1cnn2c1CCCC2)c1cccc(O)c1[O-] ZINC001350717072 966744013 /nfs/dbraw/zinc/74/40/13/966744013.db2.gz KKDBHTSVYUKEHG-UHFFFAOYSA-N -1 3 287.319 1.561 10 10 CDCEHM O=C(NCc1ccc(O)cc1O)c1cncc([O-])c1 ZINC001451772379 968006520 /nfs/dbraw/zinc/00/65/20/968006520.db2.gz VNLUVGNSNXCWIX-UHFFFAOYSA-N -1 3 260.249 1.128 10 10 CDCEHM CCn1ccc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC001469928608 970279240 /nfs/dbraw/zinc/27/92/40/970279240.db2.gz CVSVBTLFIKISAW-UHFFFAOYSA-N -1 3 261.281 1.875 10 10 CDCEHM Cc1nc[nH]c1CC(=O)NCc1c([O-])cccc1F ZINC001652298956 1171420515 /nfs/dbraw/zinc/42/05/15/1171420515.db2.gz WDOULBADVAYYRT-UHFFFAOYSA-N -1 3 263.272 1.422 10 10 CDCEHM COC(=O)c1ccc(CN2CCCCC2=O)c([O-])c1 ZINC000584597950 346496383 /nfs/dbraw/zinc/49/63/83/346496383.db2.gz WNXKTSOCXOKZNS-UHFFFAOYSA-N -1 3 263.293 1.691 10 10 CDCEHM Cn1cnnc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000294350534 371053420 /nfs/dbraw/zinc/05/34/20/371053420.db2.gz SOCBWQNAWZTSNO-UHFFFAOYSA-N -1 3 270.695 1.603 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1C ZINC000293865923 378600387 /nfs/dbraw/zinc/60/03/87/378600387.db2.gz AOGWDQKEMAFSFY-BDAKNGLRSA-N -1 3 298.364 1.244 10 10 CDCEHM O=C1NCc2c1c(I)ccc2[O-] ZINC000089211319 296385911 /nfs/dbraw/zinc/38/59/11/296385911.db2.gz XNIZEMLNENOEBQ-UHFFFAOYSA-N -1 3 275.045 1.240 10 10 CDCEHM O=C(NCc1ccc(O)cc1O)c1ccc(O)cc1[O-] ZINC000040556753 174330792 /nfs/dbraw/zinc/33/07/92/174330792.db2.gz SIXBAQROJXVKSF-UHFFFAOYSA-N -1 3 275.260 1.439 10 10 CDCEHM COC(=O)[C@@H]1C[C@H](OC)CN1Cc1ccccc1[O-] ZINC000180150212 329217885 /nfs/dbraw/zinc/21/78/85/329217885.db2.gz VTWQZTBVIKZFSU-RYUDHWBXSA-N -1 3 265.309 1.155 10 10 CDCEHM C[C@@H](N[C@H]1CCCNC1=O)c1ccc(F)cc1[O-] ZINC000062748414 525677604 /nfs/dbraw/zinc/67/76/04/525677604.db2.gz CWIGLHDRMUAPTH-KCJUWKMLSA-N -1 3 252.289 1.461 10 10 CDCEHM COCCN1CCC[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000732284986 575086948 /nfs/dbraw/zinc/08/69/48/575086948.db2.gz LHMVSQYPMKEGOO-SNVBAGLBSA-N -1 3 284.381 1.294 10 10 CDCEHM Cc1nc2ccc(NC(=O)c3cccc(O)c3[O-])cn2n1 ZINC001626378381 1165934753 /nfs/dbraw/zinc/93/47/53/1165934753.db2.gz RQVBXGHGDIQARU-UHFFFAOYSA-N -1 3 284.275 1.701 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1C(F)(F)F ZINC001565846857 1168183676 /nfs/dbraw/zinc/18/36/76/1168183676.db2.gz MQQKWFUSQPNGEC-SECBINFHSA-N -1 3 291.225 1.501 10 10 CDCEHM C[C@@H]1COC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000926030290 818653563 /nfs/dbraw/zinc/65/35/63/818653563.db2.gz PHFCALPXMBCZPP-LDYMZIIASA-N -1 3 268.288 1.365 10 10 CDCEHM CC(C)(O)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000721850108 818732943 /nfs/dbraw/zinc/73/29/43/818732943.db2.gz HXNUOFJSZQHAGI-SECBINFHSA-N -1 3 265.309 1.331 10 10 CDCEHM CO[C@@H]1CCCN(NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000928416527 819703231 /nfs/dbraw/zinc/70/32/31/819703231.db2.gz NEYZTSASAHMJFL-SNVBAGLBSA-N -1 3 280.324 1.162 10 10 CDCEHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)C(N)=O)c1[O-] ZINC000711086677 820800640 /nfs/dbraw/zinc/80/06/40/820800640.db2.gz YUJGLXKBALGETQ-ZETCQYMHSA-N -1 3 268.288 1.040 10 10 CDCEHM COC[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000714276988 820837056 /nfs/dbraw/zinc/83/70/56/820837056.db2.gz VZQFJVXLNVXSNS-DTORHVGOSA-N -1 3 251.282 1.253 10 10 CDCEHM CO[C@@H]1CCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922723191 821311190 /nfs/dbraw/zinc/31/11/90/821311190.db2.gz JUSOMIBVCNFGQO-DGCLKSJQSA-N -1 3 282.315 1.898 10 10 CDCEHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)CCCOC1 ZINC000928708495 821501135 /nfs/dbraw/zinc/50/11/35/821501135.db2.gz MSPMGTULMSEEMK-CQSZACIVSA-N -1 3 267.300 1.964 10 10 CDCEHM Cn1ncnc1CNCc1cc(Br)ccc1[O-] ZINC000389301865 822590882 /nfs/dbraw/zinc/59/08/82/822590882.db2.gz HXADACBGGXQBNS-UHFFFAOYSA-N -1 3 297.156 1.573 10 10 CDCEHM COC1(C(F)(F)F)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000724136607 896538164 /nfs/dbraw/zinc/53/81/64/896538164.db2.gz FVAHMNHZRNOCCI-UHFFFAOYSA-N -1 3 291.225 1.501 10 10 CDCEHM CCn1cnc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001178412839 915429703 /nfs/dbraw/zinc/42/97/03/915429703.db2.gz HVNPUEBAXFUGAS-UHFFFAOYSA-N -1 3 263.272 1.678 10 10 CDCEHM CNC(=O)[C@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000160214324 362405122 /nfs/dbraw/zinc/40/51/22/362405122.db2.gz ADGCQFDVHPCJGM-GFCCVEGCSA-N -1 3 266.316 1.632 10 10 CDCEHM Cc1cc(C[C@H](C)NC(=O)c2cccc(O)c2[O-])[nH]n1 ZINC000187196589 357740356 /nfs/dbraw/zinc/74/03/56/357740356.db2.gz SXHUPHJAMMGWFL-QMMMGPOBSA-N -1 3 275.308 1.490 10 10 CDCEHM COCCN1CCCN(Cc2ccccc2[O-])CC1=O ZINC000191703709 373548308 /nfs/dbraw/zinc/54/83/08/373548308.db2.gz MQSXPDMUORNAJD-UHFFFAOYSA-N -1 3 278.352 1.073 10 10 CDCEHM Cc1ccc(C(=O)N2CCC([C@H](C)O)CC2)c([O-])c1O ZINC000182471230 391234984 /nfs/dbraw/zinc/23/49/84/391234984.db2.gz YFIVZRKRMKGNJX-JTQLQIEISA-N -1 3 279.336 1.639 10 10 CDCEHM Cc1cc(C[C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])[nH]n1 ZINC000182831199 391245685 /nfs/dbraw/zinc/24/56/85/391245685.db2.gz HNTKYSDZXNNTHV-SECBINFHSA-N -1 3 289.335 1.799 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnc(Cl)cn1 ZINC001649075648 1161362304 /nfs/dbraw/zinc/36/23/04/1161362304.db2.gz ACYDFBRGFHONIJ-UHFFFAOYSA-N -1 3 281.674 1.905 10 10 CDCEHM Cc1nc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])n[nH]1 ZINC001611278644 1165486899 /nfs/dbraw/zinc/48/68/99/1165486899.db2.gz TZOVZOJHJXKAQD-YFKPBYRVSA-N -1 3 280.259 1.154 10 10 CDCEHM Cc1cccc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC000126378738 1165986082 /nfs/dbraw/zinc/98/60/82/1165986082.db2.gz YCYWBVBLKNMXPX-UHFFFAOYSA-N -1 3 258.277 1.731 10 10 CDCEHM Cc1c[nH]c(C2(NC(=O)c3cccc(O)c3[O-])CCC2)n1 ZINC001636534626 1166681782 /nfs/dbraw/zinc/68/17/82/1166681782.db2.gz REDSZWWJHZOSIY-UHFFFAOYSA-N -1 3 287.319 1.939 10 10 CDCEHM O=c1[n-]ccc(NCCc2ccc(O)c(O)c2)c1[N+](=O)[O-] ZINC001639570662 1166951891 /nfs/dbraw/zinc/95/18/91/1166951891.db2.gz XYZZLCDSXLLJIO-UHFFFAOYSA-N -1 3 291.263 1.761 10 10 CDCEHM O=C(NCc1cc(Cl)ccc1O)c1cnncc1[O-] ZINC001640924107 1167060310 /nfs/dbraw/zinc/06/03/10/1167060310.db2.gz HMCZSAQKNXRJNS-UHFFFAOYSA-N -1 3 279.683 1.471 10 10 CDCEHM COCCn1ccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000928708302 824373314 /nfs/dbraw/zinc/37/33/14/824373314.db2.gz JTIXMBPULIWPAD-UHFFFAOYSA-N -1 3 293.298 1.304 10 10 CDCEHM O=C1OC[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)C[C@@H]12 ZINC000862546431 824933131 /nfs/dbraw/zinc/93/31/31/824933131.db2.gz MIPSDWIENJRGCY-HTQZYQBOSA-N -1 3 285.702 1.790 10 10 CDCEHM Cc1cc(C)n(CC(=O)NCc2c([O-])cccc2F)n1 ZINC000928707845 825814985 /nfs/dbraw/zinc/81/49/85/825814985.db2.gz CWUYJIHBOISEIJ-UHFFFAOYSA-N -1 3 277.299 1.661 10 10 CDCEHM CCOCCOCCCC(=O)NCc1c([O-])cccc1F ZINC000928712770 826304263 /nfs/dbraw/zinc/30/42/63/826304263.db2.gz URVDCXPXDDEDLP-UHFFFAOYSA-N -1 3 299.342 1.981 10 10 CDCEHM CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709792 826341227 /nfs/dbraw/zinc/34/12/27/826341227.db2.gz LPPFDWXSOFEAGJ-BZHVJNSISA-N -1 3 267.300 1.819 10 10 CDCEHM C[C@@H]1C[C@H](C(=O)NCc2c([O-])cccc2F)[C@@H](C)O1 ZINC000928707820 826871912 /nfs/dbraw/zinc/87/19/12/826871912.db2.gz CJQPOFRAFQJNHQ-BBBLOLIVSA-N -1 3 267.300 1.961 10 10 CDCEHM Cc1cc([O-])c(CN2CC3(C2)CNC(=O)O3)c(Cl)c1 ZINC000817418525 827104009 /nfs/dbraw/zinc/10/40/09/827104009.db2.gz VEODZTMXSMQQTB-UHFFFAOYSA-N -1 3 282.727 1.648 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN1C[C@H](O)C[C@H](O)C1 ZINC000816520576 827302781 /nfs/dbraw/zinc/30/27/81/827302781.db2.gz SDGUMBSLRPACQK-DTORHVGOSA-N -1 3 275.707 1.112 10 10 CDCEHM C[C@@H]1C[C@H](CO)CCN1C(=O)c1cccc(O)c1[O-] ZINC000831221202 827992802 /nfs/dbraw/zinc/99/28/02/827992802.db2.gz UMMOIPUHRHYEDT-NXEZZACHSA-N -1 3 265.309 1.331 10 10 CDCEHM NC(=O)c1ccc(C(=O)NCc2c([O-])cccc2F)o1 ZINC001645047915 1167362179 /nfs/dbraw/zinc/36/21/79/1167362179.db2.gz CPMZGCPJBXVEFC-UHFFFAOYSA-N -1 3 278.239 1.153 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001545013801 967398510 /nfs/dbraw/zinc/39/85/10/967398510.db2.gz JQPLLIYCNRCFFL-DTWKUNHWSA-N -1 3 269.247 1.825 10 10 CDCEHM CC(=O)C(=N[N-]c1cnn(C)c1)C(=O)OC(C)(C)C ZINC000616220954 349380152 /nfs/dbraw/zinc/38/01/52/349380152.db2.gz NLHXAYMVGNXXTN-JTQLQIEISA-N -1 3 266.301 1.803 10 10 CDCEHM C[C@@]1(C(N)=O)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294797712 371092243 /nfs/dbraw/zinc/09/22/43/371092243.db2.gz VULUUSJVBIYHRB-CYBMUJFWSA-N -1 3 286.734 1.882 10 10 CDCEHM CCS(=O)(=O)CCNCc1cc(Cl)c(F)cc1[O-] ZINC000294321152 378630832 /nfs/dbraw/zinc/63/08/32/378630832.db2.gz RABPLQUGIYRBNQ-UHFFFAOYSA-N -1 3 295.763 1.709 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CO)c([O-])c1O ZINC000182819666 391245660 /nfs/dbraw/zinc/24/56/60/391245660.db2.gz QNSMJRVNNJQLTE-CMPLNLGQSA-N -1 3 279.336 1.687 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2OCC[C@H]2C1 ZINC000373360391 267669999 /nfs/dbraw/zinc/66/99/99/267669999.db2.gz QZGULNGASFHPSU-JOYOIKCWSA-N -1 3 263.293 1.349 10 10 CDCEHM Cc1noc([C@@H]2COCCN2Cc2cc(F)ccc2[O-])n1 ZINC000188479490 329369169 /nfs/dbraw/zinc/36/91/69/329369169.db2.gz UDFRAKISLAJHDQ-LBPRGKRZSA-N -1 3 293.298 1.796 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2COC[C@@H]2C1 ZINC000690765881 1159368130 /nfs/dbraw/zinc/36/81/30/1159368130.db2.gz MNMFERMXHWKLPX-UWVGGRQHSA-N -1 3 263.293 1.206 10 10 CDCEHM CCN(C)C(=O)[C@H](C)NCc1cccc(F)c1[O-] ZINC000231845366 520214289 /nfs/dbraw/zinc/21/42/89/520214289.db2.gz LAQKFDIOHICADM-VIFPVBQESA-N -1 3 254.305 1.488 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCO[C@]2(CCOC2)C1 ZINC000769654695 575367675 /nfs/dbraw/zinc/36/76/75/575367675.db2.gz REDXULMFPGCCAB-GFCCVEGCSA-N -1 3 269.322 1.085 10 10 CDCEHM COC[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000924015753 632367892 /nfs/dbraw/zinc/36/78/92/632367892.db2.gz UXCWKMRCSIYWHL-AOOOYVTPSA-N -1 3 282.315 1.756 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1c2ccccc2C[C@H]1CO ZINC001641154709 1167081566 /nfs/dbraw/zinc/08/15/66/1167081566.db2.gz HOUVJALMMSSOQV-NSHDSACASA-N -1 3 285.299 1.662 10 10 CDCEHM COCCc1cc(NC(=O)c2cccc(O)c2[O-])n(C)n1 ZINC000193138603 1184553451 /nfs/dbraw/zinc/55/34/51/1184553451.db2.gz MDDLKDOWOUVYJP-UHFFFAOYSA-N -1 3 291.307 1.273 10 10 CDCEHM O=C(CNCc1ccc(F)c(F)c1[O-])NCC1CC1 ZINC000703395318 833356543 /nfs/dbraw/zinc/35/65/43/833356543.db2.gz RADGGGDBHWVXRH-UHFFFAOYSA-N -1 3 270.279 1.286 10 10 CDCEHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CC(=O)N1C ZINC000800538147 832854605 /nfs/dbraw/zinc/85/46/05/832854605.db2.gz KSSYEBXBKUHTEN-VIFPVBQESA-N -1 3 268.744 1.708 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCC=CO1 ZINC000928708763 832895398 /nfs/dbraw/zinc/89/53/98/832895398.db2.gz SUQOHVAXRIONFQ-GFCCVEGCSA-N -1 3 251.257 1.840 10 10 CDCEHM Cc1ccc(C(=O)Nc2cnc(N(C)C)nc2)c([O-])c1O ZINC000182892234 835061650 /nfs/dbraw/zinc/06/16/50/835061650.db2.gz HRNKIOURNVFCEK-UHFFFAOYSA-N -1 3 288.307 1.515 10 10 CDCEHM CC(=O)Nc1ccc(CN2CCOCC2)c([O-])c1 ZINC000136781282 342445497 /nfs/dbraw/zinc/44/54/97/342445497.db2.gz OQLOPIUWXPTBTL-UHFFFAOYSA-N -1 3 250.298 1.183 10 10 CDCEHM CC[C@H](O)CN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180164067 357248861 /nfs/dbraw/zinc/24/88/61/357248861.db2.gz WBYRVUBXAZNKRT-ZDUSSCGKSA-N -1 3 298.814 1.934 10 10 CDCEHM COC(=O)[C@H](CC(C)C)NCc1cccc(O)c1[O-] ZINC000044376387 175168549 /nfs/dbraw/zinc/16/85/49/175168549.db2.gz NWDUOBAJNVFDQN-NSHDSACASA-N -1 3 267.325 1.775 10 10 CDCEHM CCNC(=O)N1CC[C@@H](NCc2c([O-])cccc2Cl)C1 ZINC000152717176 261068731 /nfs/dbraw/zinc/06/87/31/261068731.db2.gz PKWLCMBKGZPMSK-SNVBAGLBSA-N -1 3 297.786 1.939 10 10 CDCEHM O=C(COCC(F)F)NCc1c([O-])cccc1F ZINC000928710123 620506659 /nfs/dbraw/zinc/50/66/59/620506659.db2.gz HDIXGPZMQUNXFV-UHFFFAOYSA-N -1 3 263.215 1.429 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@@]12CCOC2 ZINC000928708583 620505952 /nfs/dbraw/zinc/50/59/52/620505952.db2.gz PSDAHKBRQXZDJI-IINYFYTJSA-N -1 3 265.284 1.574 10 10 CDCEHM O=C(NCc1nccnc1Cl)c1cccc(O)c1[O-] ZINC001627203664 1165984041 /nfs/dbraw/zinc/98/40/41/1165984041.db2.gz HJQRUWMTQCJDOH-UHFFFAOYSA-N -1 3 279.683 1.471 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccc(F)cn1 ZINC001645048498 1167361494 /nfs/dbraw/zinc/36/14/94/1167361494.db2.gz XZRCVCDSTPVQMA-UHFFFAOYSA-N -1 3 264.231 1.995 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)NOC[C@H]1CCOC1 ZINC000922148994 836040483 /nfs/dbraw/zinc/04/04/83/836040483.db2.gz JJEZBINPTXAONI-VIFPVBQESA-N -1 3 284.287 1.299 10 10 CDCEHM Cc1cc([O-])c(CNCc2cnn(C)n2)c(Cl)c1 ZINC000840946794 837969015 /nfs/dbraw/zinc/96/90/15/837969015.db2.gz VAADVKMYVZJQPP-UHFFFAOYSA-N -1 3 266.732 1.772 10 10 CDCEHM C[C@@]12COC[C@]1(C)CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000855542057 839552365 /nfs/dbraw/zinc/55/23/65/839552365.db2.gz AFXVVESKRDCWQJ-GASCZTMLSA-N -1 3 277.320 1.596 10 10 CDCEHM C[C@H]1CN(Cc2c([O-])ccc3ccncc32)CC(=O)N1C ZINC000799954516 839768493 /nfs/dbraw/zinc/76/84/93/839768493.db2.gz YKCSONYGPRMKLN-NSHDSACASA-N -1 3 285.347 1.603 10 10 CDCEHM CC[C@@H]1[C@H](CO)CCN1C(=O)c1cccc(O)c1[O-] ZINC000395067555 840093900 /nfs/dbraw/zinc/09/39/00/840093900.db2.gz BVFZVVKVWMLRFA-GXSJLCMTSA-N -1 3 265.309 1.331 10 10 CDCEHM Cc1ccc(C(=O)Nc2nc3cc[nH]cc-3n2)c([O-])c1O ZINC000780999695 841559493 /nfs/dbraw/zinc/55/94/93/841559493.db2.gz RAUIFQTXNGUTTC-UHFFFAOYSA-N -1 3 284.275 1.930 10 10 CDCEHM O=C([O-])[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236440268 841803837 /nfs/dbraw/zinc/80/38/37/841803837.db2.gz UFTXMGIHNJHNHG-SECBINFHSA-N -1 3 253.273 1.828 10 10 CDCEHM O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236440268 841803845 /nfs/dbraw/zinc/80/38/45/841803845.db2.gz UFTXMGIHNJHNHG-SECBINFHSA-N -1 3 253.273 1.828 10 10 CDCEHM O=C(NCc1cccc(Cl)c1[O-])c1nnc[nH]1 ZINC001457034755 969095500 /nfs/dbraw/zinc/09/55/00/969095500.db2.gz IPVSHLRNIDAFMN-UHFFFAOYSA-N -1 3 252.661 1.094 10 10 CDCEHM CC[C@@H](CO)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271767136 364997540 /nfs/dbraw/zinc/99/75/40/364997540.db2.gz FPLYXNKGEOXJEM-ZDUSSCGKSA-N -1 3 298.814 1.934 10 10 CDCEHM [O-]c1ccccc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000179572497 391212073 /nfs/dbraw/zinc/21/20/73/391212073.db2.gz BSRKLMSDFYVMHP-AWEZNQCLSA-N -1 3 273.336 1.490 10 10 CDCEHM Cc1nnc([C@H]2CN(Cc3cc(F)ccc3[O-])CCO2)[nH]1 ZINC000180238606 329218910 /nfs/dbraw/zinc/21/89/10/329218910.db2.gz IZQCAGXRGWUETC-CYBMUJFWSA-N -1 3 292.314 1.531 10 10 CDCEHM Cc1cc(C[C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])n[nH]1 ZINC000276530121 524824964 /nfs/dbraw/zinc/82/49/64/524824964.db2.gz HKFZHRUKYAIVGQ-SSDOTTSWSA-N -1 3 293.298 1.629 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCc2n[nH]cc2C1 ZINC000928705824 620504717 /nfs/dbraw/zinc/50/47/17/620504717.db2.gz NWXOLWQHDMBHSX-SECBINFHSA-N -1 3 289.310 1.676 10 10 CDCEHM NC(=O)C1(NC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC001626140945 1166509187 /nfs/dbraw/zinc/50/91/87/1166509187.db2.gz IEIQAPUFFHOEBR-UHFFFAOYSA-N -1 3 278.308 1.016 10 10 CDCEHM O=C(Cc1ccc([O-])c(F)c1)NCc1cc(O)ccc1O ZINC001637125977 1166726601 /nfs/dbraw/zinc/72/66/01/1166726601.db2.gz JQMAVAXYCMDOBT-UHFFFAOYSA-N -1 3 291.278 1.801 10 10 CDCEHM CN(C)c1cnc(C(=O)NCc2c([O-])cccc2F)cn1 ZINC001645047905 1167361688 /nfs/dbraw/zinc/36/16/88/1167361688.db2.gz CEMHBQRMPSDODP-UHFFFAOYSA-N -1 3 290.298 1.317 10 10 CDCEHM CCn1ccnc1C(=O)NCc1c([O-])cccc1F ZINC001646035534 1167619182 /nfs/dbraw/zinc/61/91/82/1167619182.db2.gz YAOGQTAFYHYTGP-UHFFFAOYSA-N -1 3 263.272 1.678 10 10 CDCEHM COC(=O)c1cncnc1NCc1c([O-])cccc1F ZINC001652252681 1171411774 /nfs/dbraw/zinc/41/17/74/1171411774.db2.gz PDXWACVUDIUXFB-UHFFFAOYSA-N -1 3 277.255 1.720 10 10 CDCEHM C[C@H](CNC(=O)c1cccc(O)c1[O-])Cn1ccnc1 ZINC001618213218 1165625342 /nfs/dbraw/zinc/62/53/42/1165625342.db2.gz ZPDXGIYXLLYLOF-SNVBAGLBSA-N -1 3 275.308 1.360 10 10 CDCEHM Cc1cc([O-])c(CN2CN(C)C(=O)[C@@H]2C)c(Cl)c1 ZINC000843435199 845140302 /nfs/dbraw/zinc/14/03/02/845140302.db2.gz KNATWHLPMCMPFZ-VIFPVBQESA-N -1 3 268.744 1.974 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCCO1 ZINC000928705342 846186332 /nfs/dbraw/zinc/18/63/32/846186332.db2.gz JTLFTSUMHOCXAU-LBPRGKRZSA-N -1 3 253.273 1.717 10 10 CDCEHM CN1CCCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928705861 846949646 /nfs/dbraw/zinc/94/96/46/846949646.db2.gz OGVPXWPAKKIECR-LBPRGKRZSA-N -1 3 266.316 1.632 10 10 CDCEHM N#Cc1ccc(OCCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000193096551 847609671 /nfs/dbraw/zinc/60/96/71/847609671.db2.gz WDVLELMTXFWRQY-UHFFFAOYSA-N -1 3 298.298 1.778 10 10 CDCEHM C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452497 847734973 /nfs/dbraw/zinc/73/49/73/847734973.db2.gz QTTZLVCNVWFOPJ-QPUJVOFHSA-N -1 3 289.328 1.128 10 10 CDCEHM C[C@H]1C(=O)N(C)CN1Cc1ccc(Br)cc1[O-] ZINC001330279821 941803096 /nfs/dbraw/zinc/80/30/96/941803096.db2.gz NMWNSTXQXJVOPR-QMMMGPOBSA-N -1 3 299.168 1.775 10 10 CDCEHM Cc1csc(NCCNC(=O)c2cccc(O)c2[O-])n1 ZINC001299091109 955275460 /nfs/dbraw/zinc/27/54/60/955275460.db2.gz WPWTWZXISKMQBA-UHFFFAOYSA-N -1 3 293.348 1.705 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1c[nH]c(=S)[nH]1 ZINC001458027127 969250034 /nfs/dbraw/zinc/25/00/34/969250034.db2.gz LUXOKZNJNLIUQD-UHFFFAOYSA-N -1 3 267.285 1.473 10 10 CDCEHM C[C@@H](C(=O)NCc1c([O-])cccc1F)c1cnccn1 ZINC001471976422 970525645 /nfs/dbraw/zinc/52/56/45/970525645.db2.gz YRWPVWZMBCIJRT-SECBINFHSA-N -1 3 275.283 1.741 10 10 CDCEHM [O-]c1ccc(Br)cc1[C@H](CCO)NO ZINC000308608035 358853307 /nfs/dbraw/zinc/85/33/07/358853307.db2.gz XEBZKSFKXFCOFL-QMMMGPOBSA-N -1 3 262.103 1.557 10 10 CDCEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccnn2C)c1 ZINC000273399328 365493108 /nfs/dbraw/zinc/49/31/08/365493108.db2.gz MRTYJFPAIGPYHO-SNVBAGLBSA-N -1 3 289.335 1.763 10 10 CDCEHM CO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1 ZINC000285862693 368665169 /nfs/dbraw/zinc/66/51/69/368665169.db2.gz AYAKXVBDTGRPNJ-DTORHVGOSA-N -1 3 251.282 1.347 10 10 CDCEHM Nc1ccc(Nc2ccc3c(c2)C(=O)[N-]C3=O)nc1 ZINC000020584564 171258070 /nfs/dbraw/zinc/25/80/70/171258070.db2.gz CAFGONDVIYJXOQ-UHFFFAOYSA-N -1 3 254.249 1.291 10 10 CDCEHM CN(C)c1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000185274562 262048503 /nfs/dbraw/zinc/04/85/03/262048503.db2.gz JZRHXDYJOOFCIZ-UHFFFAOYSA-N -1 3 262.313 1.473 10 10 CDCEHM Cc1ccc(C(=O)NC(C)(C)[C@H](C)O)c([O-])c1O ZINC000272817241 263009118 /nfs/dbraw/zinc/00/91/18/263009118.db2.gz MRSYIJQWZPCONK-QMMMGPOBSA-N -1 3 253.298 1.295 10 10 CDCEHM Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)C3O)c([O-])c1O ZINC000182472388 329239795 /nfs/dbraw/zinc/23/97/95/329239795.db2.gz DLOZYIVAXFSJFL-BVUQATHDSA-N -1 3 291.347 1.639 10 10 CDCEHM COC(=O)[C@@H](OC(=O)c1cc([O-])cs1)C1CC1 ZINC000772116692 575662524 /nfs/dbraw/zinc/66/25/24/575662524.db2.gz YYLSEIFINSZBOU-VIFPVBQESA-N -1 3 256.279 1.562 10 10 CDCEHM CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc([O-])cs3)[C@H]2C1 ZINC000755305702 576939491 /nfs/dbraw/zinc/93/94/91/576939491.db2.gz AMWVVRQAVRPEED-WOPDTQHZSA-N -1 3 297.376 1.862 10 10 CDCEHM C[C@H]1CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000804854878 617384435 /nfs/dbraw/zinc/38/44/35/617384435.db2.gz MPEYMUQIDJVDQX-GZMMTYOYSA-N -1 3 298.364 1.292 10 10 CDCEHM [O-]c1cccc(Cl)c1CN1CCn2nnc(CO)c2C1 ZINC000894804486 619065342 /nfs/dbraw/zinc/06/53/42/619065342.db2.gz CTMOAHJJMKTVOZ-UHFFFAOYSA-N -1 3 294.742 1.145 10 10 CDCEHM CC(C)C[C@@H](C(N)=O)C(=O)NCc1c([O-])cccc1F ZINC000928706831 620505322 /nfs/dbraw/zinc/50/53/22/620505322.db2.gz VYBBUVJZMMSQMD-VIFPVBQESA-N -1 3 282.315 1.295 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)NCC1CCOCC1 ZINC000915616136 631775284 /nfs/dbraw/zinc/77/52/84/631775284.db2.gz VTLHVFVZHYGXRB-UHFFFAOYSA-N -1 3 282.315 1.757 10 10 CDCEHM CC[C@](NC(=O)c1cccc(O)c1[O-])(C(N)=O)C(C)C ZINC001611392594 1165492136 /nfs/dbraw/zinc/49/21/36/1165492136.db2.gz RFJVGGYXACFKSV-CQSZACIVSA-N -1 3 280.324 1.118 10 10 CDCEHM COc1ccc(C(=O)NCc2c([O-])cccc2F)cn1 ZINC001646029247 1167616589 /nfs/dbraw/zinc/61/65/89/1167616589.db2.gz SZOSXYCVAQXGEE-UHFFFAOYSA-N -1 3 276.267 1.865 10 10 CDCEHM CCn1cc(CNCc2cccc(F)c2[O-])nn1 ZINC000404472936 1186519498 /nfs/dbraw/zinc/51/94/98/1186519498.db2.gz SMZIQTALULOCCX-UHFFFAOYSA-N -1 3 250.277 1.433 10 10 CDCEHM COCc1nnc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])[n-]1 ZINC000850514745 697802094 /nfs/dbraw/zinc/80/20/94/697802094.db2.gz QEETVMXFRJJWAG-MRVPVSSYSA-N -1 3 280.303 1.647 10 10 CDCEHM Cc1nn(C)c(C)c1CCNC(=O)c1cccc(O)c1[O-] ZINC000188167308 697967595 /nfs/dbraw/zinc/96/75/95/697967595.db2.gz TUBCYPWCKLOKPD-UHFFFAOYSA-N -1 3 289.335 1.421 10 10 CDCEHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCS1(=O)=O ZINC000127898869 698053415 /nfs/dbraw/zinc/05/34/15/698053415.db2.gz VKJVCYGPWKMWHZ-SECBINFHSA-N -1 3 289.784 1.665 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1[C@@H]2COC[C@@H]21 ZINC000928711731 698393793 /nfs/dbraw/zinc/39/37/93/698393793.db2.gz OQXBQCZCIZAFLX-GDGBQDQQSA-N -1 3 251.257 1.040 10 10 CDCEHM C[C@@H]1C(=O)N(C)CN1Cc1c([O-])ccc2ccncc21 ZINC000842639761 698804252 /nfs/dbraw/zinc/80/42/52/698804252.db2.gz FWEPBHLCTPPIAP-SNVBAGLBSA-N -1 3 271.320 1.560 10 10 CDCEHM O=C(NCC[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000229417787 704835736 /nfs/dbraw/zinc/83/57/36/704835736.db2.gz WHSWPWBISDLFFP-SECBINFHSA-N -1 3 251.282 1.254 10 10 CDCEHM COC[C@@H](C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452369 704898598 /nfs/dbraw/zinc/89/85/98/704898598.db2.gz NCJUTXIJMCWDRE-SECBINFHSA-N -1 3 291.344 1.233 10 10 CDCEHM O=C(NC[C@H](CO)c1ccccc1)c1cccc(O)c1[O-] ZINC000193128283 848271613 /nfs/dbraw/zinc/27/16/13/848271613.db2.gz ZKCQGHWYBBRGIO-GFCCVEGCSA-N -1 3 287.315 1.604 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC(C2(O)CC2)CC1 ZINC000846325956 848818114 /nfs/dbraw/zinc/81/81/14/848818114.db2.gz GNAQDYUFORQMOE-UHFFFAOYSA-N -1 3 277.320 1.475 10 10 CDCEHM CC(C)(O)CCC(=O)NCc1c([O-])cccc1F ZINC000928709040 849583191 /nfs/dbraw/zinc/58/31/91/849583191.db2.gz WISNEEQIYXGJMZ-UHFFFAOYSA-N -1 3 255.289 1.699 10 10 CDCEHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1noc(C)n1 ZINC001294447537 954512171 /nfs/dbraw/zinc/51/21/71/954512171.db2.gz WSTUBTZTEWAIAK-VIFPVBQESA-N -1 3 277.280 1.670 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])Cc2cncnc21 ZINC001455140712 968627996 /nfs/dbraw/zinc/62/79/96/968627996.db2.gz PNFGHIHXKZSQAP-SECBINFHSA-N -1 3 285.303 1.647 10 10 CDCEHM C[C@H]1[C@H](O)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000295993863 357591910 /nfs/dbraw/zinc/59/19/10/357591910.db2.gz JNWLSRPYNOCPLJ-WCBMZHEXSA-N -1 3 251.282 1.083 10 10 CDCEHM Cc1cn2c(n1)CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000365625252 359648267 /nfs/dbraw/zinc/64/82/67/359648267.db2.gz DSHVDEFVZFFNTL-UHFFFAOYSA-N -1 3 273.292 1.259 10 10 CDCEHM C[C@H](N[C@H]1CCCNC1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296535842 378737107 /nfs/dbraw/zinc/73/71/07/378737107.db2.gz QRQWJADMFIEKLX-KWQFWETISA-N -1 3 279.296 1.230 10 10 CDCEHM COC(=O)[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000732273828 575085519 /nfs/dbraw/zinc/08/55/19/575085519.db2.gz KDJZAUQXPPVRBF-SSDOTTSWSA-N -1 3 255.295 1.089 10 10 CDCEHM O=C(Nc1nc2cc[nH]cc-2n1)c1cc([O-])cs1 ZINC000760948909 576528438 /nfs/dbraw/zinc/52/84/38/576528438.db2.gz HMQQVZZXFZLIRN-UHFFFAOYSA-N -1 3 260.278 1.977 10 10 CDCEHM C[C@@H]1CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000804854963 617384521 /nfs/dbraw/zinc/38/45/21/617384521.db2.gz MPEYMUQIDJVDQX-LDYMZIIASA-N -1 3 298.364 1.292 10 10 CDCEHM CO[C@@]1(CO)CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895250293 619495259 /nfs/dbraw/zinc/49/52/59/619495259.db2.gz HJNIXVDIZNGIIZ-AWEZNQCLSA-N -1 3 287.306 1.644 10 10 CDCEHM CCc1cc(NC(=O)c2ccc(C)c(O)c2[O-])n[nH]1 ZINC001630643420 1166219413 /nfs/dbraw/zinc/21/94/13/1166219413.db2.gz PLDYIEUFHFNCCW-UHFFFAOYSA-N -1 3 261.281 1.944 10 10 CDCEHM O=C(NC1(C2CC2)CCOCC1)c1cccc(O)c1[O-] ZINC001638128886 1166822632 /nfs/dbraw/zinc/82/26/32/1166822632.db2.gz OQSBUDGMKCVSTG-UHFFFAOYSA-N -1 3 277.320 1.787 10 10 CDCEHM COc1cc(=O)[nH]cc1C(=O)NCc1c([O-])cccc1F ZINC001652297955 1171419691 /nfs/dbraw/zinc/41/96/91/1171419691.db2.gz CIWWSODNAJYUNW-UHFFFAOYSA-N -1 3 292.266 1.571 10 10 CDCEHM NC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000776355866 705508590 /nfs/dbraw/zinc/50/85/90/705508590.db2.gz POMKHJQPWHKIML-GXSJLCMTSA-N -1 3 292.335 1.262 10 10 CDCEHM COC(=O)C[C@](C)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000871237826 709628514 /nfs/dbraw/zinc/62/85/14/709628514.db2.gz ZFBVUDMGXPOYRJ-HNNXBMFYSA-N -1 3 293.319 1.559 10 10 CDCEHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])c1ccn(C)n1 ZINC000787438333 710026898 /nfs/dbraw/zinc/02/68/98/710026898.db2.gz OAMFVPOCZJAMJB-ZDUSSCGKSA-N -1 3 293.298 1.269 10 10 CDCEHM O=C(NC[C@H]1CC[C@@H](C2CC2)O1)c1cccc(O)c1[O-] ZINC000722317642 710378894 /nfs/dbraw/zinc/37/88/94/710378894.db2.gz VCLONRXVXMCIBU-MFKMUULPSA-N -1 3 277.320 1.785 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1Cn1ccnc1 ZINC000193128488 710399610 /nfs/dbraw/zinc/39/96/10/710399610.db2.gz UEUOBVUFWXTKKF-LLVKDONJSA-N -1 3 287.319 1.599 10 10 CDCEHM Cc1nn(C)c(C)c1CC(=O)NCc1c([O-])cccc1F ZINC000928711062 710456465 /nfs/dbraw/zinc/45/64/65/710456465.db2.gz ZQGUUZONQKFWKL-UHFFFAOYSA-N -1 3 291.326 1.741 10 10 CDCEHM C[C@H](C(=O)NCc1c([O-])cccc1F)N1CCSCC1 ZINC000928705243 711619712 /nfs/dbraw/zinc/61/97/12/711619712.db2.gz IDWXJWAJWUXOCO-SNVBAGLBSA-N -1 3 298.383 1.585 10 10 CDCEHM C[C@@H]1C[C@H](C(=O)NCc2c([O-])cccc2F)[C@H](C)O1 ZINC000928707823 711652887 /nfs/dbraw/zinc/65/28/87/711652887.db2.gz CJQPOFRAFQJNHQ-UTLUCORTSA-N -1 3 267.300 1.961 10 10 CDCEHM O=C(CCOCC(F)F)NCc1c([O-])cccc1F ZINC000928707168 711806350 /nfs/dbraw/zinc/80/63/50/711806350.db2.gz BNDFSPVJUCKMDT-UHFFFAOYSA-N -1 3 277.242 1.819 10 10 CDCEHM O=C(Nc1cccc(-n2cnnn2)c1)c1cccc(O)c1[O-] ZINC001136002314 930600265 /nfs/dbraw/zinc/60/02/65/930600265.db2.gz ZEXXWRCIBRENGI-UHFFFAOYSA-N -1 3 297.274 1.326 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC(=O)Nc2cnccc21 ZINC001137018485 931500380 /nfs/dbraw/zinc/50/03/80/931500380.db2.gz UAHVRKIESAAKGA-UHFFFAOYSA-N -1 3 285.259 1.092 10 10 CDCEHM CN(C)c1cccnc1C(=O)NCc1c([O-])cccc1F ZINC001652297887 1171420661 /nfs/dbraw/zinc/42/06/61/1171420661.db2.gz AEEXTRKBADKXKL-UHFFFAOYSA-N -1 3 289.310 1.922 10 10 CDCEHM C[C@H](CNC(=O)c1cccc(O)c1[O-])c1ncon1 ZINC001652495503 1171444625 /nfs/dbraw/zinc/44/46/25/1171444625.db2.gz MHJSFMWPEFLCES-SSDOTTSWSA-N -1 3 263.253 1.014 10 10 CDCEHM CCO[C@@]1(C)C[C@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000529855978 368095058 /nfs/dbraw/zinc/09/50/58/368095058.db2.gz NXFVYDUWGVFUIC-YGRLFVJLSA-N -1 3 265.309 1.704 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]12CCOC2 ZINC000311536750 262338469 /nfs/dbraw/zinc/33/84/69/262338469.db2.gz MLDIPUXEZOSUCD-AWEZNQCLSA-N -1 3 263.293 1.493 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2CCc3[nH]cnc3C2)c([O-])c1O ZINC000370360417 267312433 /nfs/dbraw/zinc/31/24/33/267312433.db2.gz YNAXWDHZIFPPBW-SECBINFHSA-N -1 3 287.319 1.417 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c([O-])c1O ZINC000370360417 267312437 /nfs/dbraw/zinc/31/24/37/267312437.db2.gz YNAXWDHZIFPPBW-SECBINFHSA-N -1 3 287.319 1.417 10 10 CDCEHM CCN1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732276883 575085836 /nfs/dbraw/zinc/08/58/36/575085836.db2.gz UZDMDCIVTRTGPG-VIFPVBQESA-N -1 3 254.355 1.668 10 10 CDCEHM CO[C@@H]1COCC[C@@H]1CC(=O)NCc1c([O-])cccc1F ZINC000928706313 620503958 /nfs/dbraw/zinc/50/39/58/620503958.db2.gz QNECXNODKDCOAV-QMTHXVAHSA-N -1 3 297.326 1.589 10 10 CDCEHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])Cn1ccnc1 ZINC001618213217 1165625495 /nfs/dbraw/zinc/62/54/95/1165625495.db2.gz ZPDXGIYXLLYLOF-JTQLQIEISA-N -1 3 275.308 1.360 10 10 CDCEHM O=C(Cc1cscn1)NCc1c([O-])cccc1F ZINC001652298232 1171420860 /nfs/dbraw/zinc/42/08/60/1171420860.db2.gz GOZFNCLBSJHTTE-UHFFFAOYSA-N -1 3 266.297 1.847 10 10 CDCEHM Cc1cc(CC(=O)NCc2c([O-])cccc2F)on1 ZINC001652298247 1171421121 /nfs/dbraw/zinc/42/11/21/1171421121.db2.gz HDCBBMHBRBCJAL-UHFFFAOYSA-N -1 3 264.256 1.687 10 10 CDCEHM O=C(C=Cc1cccnc1)N1CCCc2c(=O)[n-]cnc21 ZINC001595852524 1174219467 /nfs/dbraw/zinc/21/94/67/1174219467.db2.gz NQEWRMPAFXFHFP-WAYWQWQTSA-N -1 3 282.303 1.570 10 10 CDCEHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1cccc(O)c1[O-] ZINC000187216550 711902424 /nfs/dbraw/zinc/90/24/24/711902424.db2.gz FYJGLRQKHZDOOL-MWLCHTKSSA-N -1 3 265.309 1.379 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cn(C2CC2)nn1 ZINC000928710857 712075728 /nfs/dbraw/zinc/07/57/28/712075728.db2.gz KYCRUJCLDGSACT-UHFFFAOYSA-N -1 3 276.271 1.388 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)OC[C@H]1CCCO1 ZINC000921452723 712200381 /nfs/dbraw/zinc/20/03/81/712200381.db2.gz XMWVLRBENSYIMZ-SECBINFHSA-N -1 3 269.272 1.937 10 10 CDCEHM C[C@@H](CN1CCOCC1)C(=O)NCc1c([O-])cccc1F ZINC000928705655 712307189 /nfs/dbraw/zinc/30/71/89/712307189.db2.gz MNEIPJTYLBZGMQ-NSHDSACASA-N -1 3 296.342 1.116 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H](C)[C@@H](C)O1 ZINC000783811550 712449668 /nfs/dbraw/zinc/44/96/68/712449668.db2.gz CNOLALMNPLYJFE-OPRDCNLKSA-N -1 3 265.309 1.736 10 10 CDCEHM Cc1ccc(C(=O)Nc2cnn(CCF)c2)c([O-])c1O ZINC001641527391 1167115602 /nfs/dbraw/zinc/11/56/02/1167115602.db2.gz UKOPHHBMVMSFGZ-UHFFFAOYSA-N -1 3 279.271 1.825 10 10 CDCEHM O=C(CCc1ncccn1)NCc1c([O-])cccc1F ZINC001646034895 1167617781 /nfs/dbraw/zinc/61/77/81/1167617781.db2.gz NQABSBSPHZEHDH-UHFFFAOYSA-N -1 3 275.283 1.570 10 10 CDCEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452498 914935282 /nfs/dbraw/zinc/93/52/82/914935282.db2.gz QTTZLVCNVWFOPJ-UFBFGSQYSA-N -1 3 289.328 1.128 10 10 CDCEHM CC[C@]1(C)COCCN1C(=O)c1cccc(O)c1[O-] ZINC000707237203 896090274 /nfs/dbraw/zinc/09/02/74/896090274.db2.gz YZKAUYHDSAEADS-CQSZACIVSA-N -1 3 265.309 1.739 10 10 CDCEHM C[C@H]1CCCN1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452605 914935171 /nfs/dbraw/zinc/93/51/71/914935171.db2.gz UCWCMHHLHJWIAV-VIFPVBQESA-N -1 3 288.344 1.350 10 10 CDCEHM Cn1cc(CNCc2cccc(Br)c2[O-])nn1 ZINC000389828597 936648745 /nfs/dbraw/zinc/64/87/45/936648745.db2.gz VHEQHYSDXORVGU-UHFFFAOYSA-N -1 3 297.156 1.573 10 10 CDCEHM Cn1ncc(CNCc2cc(Br)ccc2[O-])n1 ZINC000389812842 936648815 /nfs/dbraw/zinc/64/88/15/936648815.db2.gz JIDJIHLXCKBEHY-UHFFFAOYSA-N -1 3 297.156 1.573 10 10 CDCEHM COC(=O)C[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000855905576 928505253 /nfs/dbraw/zinc/50/52/53/928505253.db2.gz AUSGTBYZVCADHR-JTQLQIEISA-N -1 3 293.319 1.417 10 10 CDCEHM CC(C)(C)N1CC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000857303598 928692684 /nfs/dbraw/zinc/69/26/84/928692684.db2.gz XEPKIQDZWPGHPD-VIFPVBQESA-N -1 3 296.342 1.840 10 10 CDCEHM O=C1NCC2(CN(Cc3cc(Cl)ccc3[O-])C2)O1 ZINC000817417811 930531242 /nfs/dbraw/zinc/53/12/42/930531242.db2.gz QGVOTEXANJFRLS-UHFFFAOYSA-N -1 3 268.700 1.340 10 10 CDCEHM CN1C(=O)CCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709475 933174708 /nfs/dbraw/zinc/17/47/08/933174708.db2.gz IQAJAXHUZNLXOG-NSHDSACASA-N -1 3 280.299 1.158 10 10 CDCEHM CC(C)[C@@H](O)CCNC(=O)c1cccc(O)c1[O-] ZINC001465222125 969855478 /nfs/dbraw/zinc/85/54/78/969855478.db2.gz HFNCQFSEPMTSMF-JTQLQIEISA-N -1 3 253.298 1.235 10 10 CDCEHM CCN(CC(N)=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000294588938 371072078 /nfs/dbraw/zinc/07/20/78/371072078.db2.gz HHSFLLPSJVBMLQ-UHFFFAOYSA-N -1 3 260.696 1.492 10 10 CDCEHM CC(=O)N1CCN(C(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000764337334 575900124 /nfs/dbraw/zinc/90/01/24/575900124.db2.gz DAHRFVUHXOAUTF-MRVPVSSYSA-N -1 3 268.338 1.147 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cc2n(n1)CCC2 ZINC000928705101 620503434 /nfs/dbraw/zinc/50/34/34/620503434.db2.gz DXBSCUNQTZNXOA-UHFFFAOYSA-N -1 3 275.283 1.604 10 10 CDCEHM CO[C@H]1COCC[C@H]1CC(=O)NCc1c([O-])cccc1F ZINC000928706309 620505366 /nfs/dbraw/zinc/50/53/66/620505366.db2.gz QNECXNODKDCOAV-HZMBPMFUSA-N -1 3 297.326 1.589 10 10 CDCEHM O=C(CCCCc1c[nH]nn1)NCc1c([O-])cccc1F ZINC000928708759 620506174 /nfs/dbraw/zinc/50/61/74/620506174.db2.gz SPLFNMHHXCLRAP-UHFFFAOYSA-N -1 3 292.314 1.679 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1nnc(C2CC2)o1 ZINC000902945659 625630137 /nfs/dbraw/zinc/63/01/37/625630137.db2.gz VADPQDFXBAEXHY-UHFFFAOYSA-N -1 3 277.255 1.722 10 10 CDCEHM Cc1nccn1CCNC(=O)NCc1c([O-])cccc1F ZINC000915731671 631806674 /nfs/dbraw/zinc/80/66/74/631806674.db2.gz ZMYSRESKOUJMHP-UHFFFAOYSA-N -1 3 292.314 1.536 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cc([N+](=O)[O-])n[nH]1 ZINC001645048162 1167361094 /nfs/dbraw/zinc/36/10/94/1167361094.db2.gz JFGYPTLKKAKCSO-UHFFFAOYSA-N -1 3 280.215 1.093 10 10 CDCEHM O=C(NC[C@@H]1CC[C@@H](C2CC2)O1)c1cccc(O)c1[O-] ZINC000722317640 900806813 /nfs/dbraw/zinc/80/68/13/900806813.db2.gz VCLONRXVXMCIBU-GWCFXTLKSA-N -1 3 277.320 1.785 10 10 CDCEHM COCCC1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000826899432 936445597 /nfs/dbraw/zinc/44/55/97/936445597.db2.gz NSIKUCRGRRRBDH-UHFFFAOYSA-N -1 3 296.323 1.777 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CCOC2)C1 ZINC000837069474 936824160 /nfs/dbraw/zinc/82/41/60/936824160.db2.gz RYTMXRPFTNVQAV-HNNXBMFYSA-N -1 3 277.320 1.741 10 10 CDCEHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@](O)(CO)C1 ZINC000839159120 936906766 /nfs/dbraw/zinc/90/67/66/936906766.db2.gz MDWCYAJBHXADLF-ZDUSSCGKSA-N -1 3 289.734 1.504 10 10 CDCEHM Cc1noc(C)c1N(C)C(=O)c1cccc(O)c1[O-] ZINC001147901827 932629736 /nfs/dbraw/zinc/62/97/36/932629736.db2.gz FFIBEWACDAFLIB-UHFFFAOYSA-N -1 3 262.265 1.979 10 10 CDCEHM CCn1nc(C)c(C(=O)NCc2c([O-])cccc2F)n1 ZINC000928706607 933174337 /nfs/dbraw/zinc/17/43/37/933174337.db2.gz ROWDNIYZMNKJJO-UHFFFAOYSA-N -1 3 278.287 1.381 10 10 CDCEHM O=C(/C=C\[C@@H]1CCOC1)NCc1c([O-])cccc1F ZINC000928706876 933174379 /nfs/dbraw/zinc/17/43/79/933174379.db2.gz YEKQKJQFRIQRMM-UMCURTJPSA-N -1 3 265.284 1.740 10 10 CDCEHM CO[C@H](C(=O)NCc1c([O-])cccc1F)[C@H]1CCOC1 ZINC000928707002 933174463 /nfs/dbraw/zinc/17/44/63/933174463.db2.gz ZMLZECMILHPJIQ-ZANVPECISA-N -1 3 283.299 1.199 10 10 CDCEHM CNC(=O)CCCC(=O)NCc1c([O-])cccc1F ZINC000928707230 933174635 /nfs/dbraw/zinc/17/46/35/933174635.db2.gz CJCORXDPBRXEDN-UHFFFAOYSA-N -1 3 268.288 1.064 10 10 CDCEHM C[C@]1(NC(=O)NCc2c([O-])cccc2F)CCOC1=O ZINC001346990066 965321973 /nfs/dbraw/zinc/32/19/73/965321973.db2.gz KQUDKUCTXMHLHD-ZDUSSCGKSA-N -1 3 282.271 1.036 10 10 CDCEHM C[C@H](CS(C)(=O)=O)NCc1cccc(F)c1[O-] ZINC000158780957 364094215 /nfs/dbraw/zinc/09/42/15/364094215.db2.gz XSCUBJFYJBWPBS-MRVPVSSYSA-N -1 3 261.318 1.054 10 10 CDCEHM Cc1ccc(C(=O)NC[C@H](O)C(F)(F)F)c([O-])c1O ZINC000272723064 365366774 /nfs/dbraw/zinc/36/67/74/365366774.db2.gz HTFRHTPBXKNXQV-ZETCQYMHSA-N -1 3 279.214 1.059 10 10 CDCEHM COC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126503866 260352637 /nfs/dbraw/zinc/35/26/37/260352637.db2.gz AMQGMOXYYWORCD-VIFPVBQESA-N -1 3 279.292 1.123 10 10 CDCEHM Cc1cnn(CCNC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000182465518 261939482 /nfs/dbraw/zinc/93/94/82/261939482.db2.gz MCFMVXXLGRHOGE-UHFFFAOYSA-N -1 3 275.308 1.341 10 10 CDCEHM CC(C)(C)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1O ZINC000280043632 518978474 /nfs/dbraw/zinc/97/84/74/518978474.db2.gz ZPTHBBPPHQFKEL-WCQYABFASA-N -1 3 293.363 1.967 10 10 CDCEHM O=C(NCCc1cn[nH]c1)NCc1c([O-])cccc1F ZINC001681653884 1174589194 /nfs/dbraw/zinc/58/91/94/1174589194.db2.gz OMUXIMJCLOBNLW-UHFFFAOYSA-N -1 3 278.287 1.296 10 10 CDCEHM Cc1nn(C)c(C)c1CCNC(=O)c1cc([O-])cs1 ZINC000732271614 575085217 /nfs/dbraw/zinc/08/52/17/575085217.db2.gz LSNWFLSNGLQKCD-UHFFFAOYSA-N -1 3 279.365 1.777 10 10 CDCEHM CC1(C)CC(=O)NCCN1Cc1cc(F)cc(F)c1[O-] ZINC000895398775 619637421 /nfs/dbraw/zinc/63/74/21/619637421.db2.gz AZGBOLDRPWFFPT-UHFFFAOYSA-N -1 3 284.306 1.771 10 10 CDCEHM Cn1ccnc1COCC(=O)NCc1c([O-])cccc1F ZINC000928705867 620504477 /nfs/dbraw/zinc/50/44/77/620504477.db2.gz MBZIOSQIRBIYAP-UHFFFAOYSA-N -1 3 293.298 1.098 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCOCC1 ZINC000921819698 633319898 /nfs/dbraw/zinc/31/98/98/633319898.db2.gz GJWOTUUKTLVMRA-SNVBAGLBSA-N -1 3 282.315 1.900 10 10 CDCEHM COc1ccc(C(=O)NCc2ccc(O)cc2O)c([O-])c1 ZINC000084602543 1173664446 /nfs/dbraw/zinc/66/44/46/1173664446.db2.gz RSHXFCVZSXFPQB-UHFFFAOYSA-N -1 3 289.287 1.742 10 10 CDCEHM CC(C)(CNC(=O)c1cccc(O)c1[O-])n1cccn1 ZINC000697596133 908799862 /nfs/dbraw/zinc/79/98/62/908799862.db2.gz QYYVUWCLMVULOR-UHFFFAOYSA-N -1 3 275.308 1.459 10 10 CDCEHM CCn1cc(C(=O)C(=O)NCc2c([O-])cccc2F)cn1 ZINC001456031642 968851133 /nfs/dbraw/zinc/85/11/33/968851133.db2.gz YRNDMZNPVCUHSE-UHFFFAOYSA-N -1 3 291.282 1.247 10 10 CDCEHM Cn1ccc(=O)c(C(=O)NCc2c([O-])cccc2F)c1 ZINC001652299084 1171419908 /nfs/dbraw/zinc/41/99/08/1171419908.db2.gz ZZGJIQDQGGLJOM-UHFFFAOYSA-N -1 3 276.267 1.160 10 10 CDCEHM O=C(NCc1c(O)cccc1O)c1ccccc1[O-] ZINC001652623098 1171459054 /nfs/dbraw/zinc/45/90/54/1171459054.db2.gz NRGIWOHTZGXAES-UHFFFAOYSA-N -1 3 259.261 1.733 10 10 CDCEHM C[C@@H](O)CN1CCN(Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC000180084914 357242457 /nfs/dbraw/zinc/24/24/57/357242457.db2.gz CYYIGUWORBOUMZ-NWDGAFQWSA-N -1 3 298.814 1.933 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1cc[nH]n1 ZINC000287298448 369155376 /nfs/dbraw/zinc/15/53/76/369155376.db2.gz ZXIDZCIATCVMON-LLVKDONJSA-N -1 3 273.292 1.798 10 10 CDCEHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCS1 ZINC000126559055 390921192 /nfs/dbraw/zinc/92/11/92/390921192.db2.gz LVCJJAYMMFGYPK-QMMMGPOBSA-N -1 3 253.323 1.675 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c([O-])c1O ZINC000177670029 391173804 /nfs/dbraw/zinc/17/38/04/391173804.db2.gz BJWPJNWTXJHJCG-ONGXEEELSA-N -1 3 265.309 1.704 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000126493387 260353094 /nfs/dbraw/zinc/35/30/94/260353094.db2.gz QUQPGUFRMJZMRY-BDJLRTHQSA-N -1 3 291.347 1.865 10 10 CDCEHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1CCc2ncnn2C1 ZINC000190973193 329403662 /nfs/dbraw/zinc/40/36/62/329403662.db2.gz UJFOWCGVTBKOJV-QMMMGPOBSA-N -1 3 296.733 1.881 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCN(CC(F)F)CC1 ZINC000274934434 526772045 /nfs/dbraw/zinc/77/20/45/526772045.db2.gz CKDGFDADVHUHCN-UHFFFAOYSA-N -1 3 286.278 1.121 10 10 CDCEHM CC(C)(C)n1nnnc1COC(=O)c1cc([O-])cs1 ZINC000766198494 575094180 /nfs/dbraw/zinc/09/41/80/575094180.db2.gz ABMIODUKMQXJBA-UHFFFAOYSA-N -1 3 282.325 1.552 10 10 CDCEHM CC1(CNC(=O)NCc2c([O-])cccc2F)COC1 ZINC000918411154 632366710 /nfs/dbraw/zinc/36/67/10/632366710.db2.gz IAXYVSLIWUCJDI-UHFFFAOYSA-N -1 3 268.288 1.367 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840912527 679666673 /nfs/dbraw/zinc/66/66/73/679666673.db2.gz ISRBJQQHTNGNDP-GFCCVEGCSA-N -1 3 284.743 1.040 10 10 CDCEHM O=C(NCC[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000229417794 679681847 /nfs/dbraw/zinc/68/18/47/679681847.db2.gz WHSWPWBISDLFFP-VIFPVBQESA-N -1 3 251.282 1.254 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H](C)[C@H](C)O1 ZINC000783811538 678192360 /nfs/dbraw/zinc/19/23/60/678192360.db2.gz CNOLALMNPLYJFE-BBBLOLIVSA-N -1 3 265.309 1.736 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000863228809 678257885 /nfs/dbraw/zinc/25/78/85/678257885.db2.gz SUVKDOJLYWRQMX-ZUZCIYMTSA-N -1 3 277.320 1.332 10 10 CDCEHM CO[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923475818 679068627 /nfs/dbraw/zinc/06/86/27/679068627.db2.gz AYRSSVDFYUSICC-KYZUINATSA-N -1 3 268.288 1.508 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1Cc2ccccc2NC(=O)C1 ZINC000318500619 1186771118 /nfs/dbraw/zinc/77/11/18/1186771118.db2.gz WSZRJIJVSYRYHA-UHFFFAOYSA-N -1 3 298.298 1.692 10 10 CDCEHM O=C(NCc1c(O)ccc2c1CCCC2)c1cnncc1[O-] ZINC001294870664 954571551 /nfs/dbraw/zinc/57/15/51/954571551.db2.gz ZHAHGQLCKGLPPM-UHFFFAOYSA-N -1 3 299.330 1.697 10 10 CDCEHM [O-]c1c(F)cc(F)cc1CN1C[C@@H](O)C2(CC2)C1 ZINC001350320070 966631500 /nfs/dbraw/zinc/63/15/00/966631500.db2.gz SZXKRWLQKSNTNM-LLVKDONJSA-N -1 3 255.264 1.627 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccc2nncn2c1 ZINC001456093801 968864133 /nfs/dbraw/zinc/86/41/33/968864133.db2.gz OGXZTBOYXXHSPV-UHFFFAOYSA-N -1 3 286.266 1.504 10 10 CDCEHM O=C(Nc1nc(C2CCC2)n[nH]1)c1c(F)ccc(O)c1[O-] ZINC000294989979 371114490 /nfs/dbraw/zinc/11/44/90/371114490.db2.gz QGOSUTJUXFAFLS-UHFFFAOYSA-N -1 3 292.270 1.875 10 10 CDCEHM Cc1ccc(C(=O)NCCCN2CCCC2=O)c([O-])c1O ZINC000179382194 391203821 /nfs/dbraw/zinc/20/38/21/391203821.db2.gz KEUJUSSYZXVWGE-UHFFFAOYSA-N -1 3 292.335 1.149 10 10 CDCEHM Cc1ccc(C(=O)N(C)C[C@H]2CCCO2)c([O-])c1O ZINC000179473128 391207265 /nfs/dbraw/zinc/20/72/65/391207265.db2.gz CVFLNWGFYNSKOY-SNVBAGLBSA-N -1 3 265.309 1.657 10 10 CDCEHM COCCc1cc(NC(=O)c2cc([O-])cs2)n(C)n1 ZINC000768343127 576273311 /nfs/dbraw/zinc/27/33/11/576273311.db2.gz BDVKEKHTJDQSHS-UHFFFAOYSA-N -1 3 281.337 1.628 10 10 CDCEHM CO[C@@H](C)CCC(=O)NCc1c([O-])cccc1F ZINC000928708542 620505806 /nfs/dbraw/zinc/50/58/06/620505806.db2.gz OIAIRMDNYAXSGV-VIFPVBQESA-N -1 3 255.289 1.963 10 10 CDCEHM CCOC(=O)CC(=O)NCc1c([O-])cccc1F ZINC000928712629 620507397 /nfs/dbraw/zinc/50/73/97/620507397.db2.gz UUYNKNTVABUPFO-UHFFFAOYSA-N -1 3 255.245 1.101 10 10 CDCEHM O=C(NCC1(C2(O)CCC2)CCC1)c1cccc(O)c1[O-] ZINC000899684365 622358548 /nfs/dbraw/zinc/35/85/48/622358548.db2.gz OYQBKKADWWOTRZ-UHFFFAOYSA-N -1 3 291.347 1.913 10 10 CDCEHM CN(C)c1ccc(CNCc2cnn(C)c2C(=O)[O-])cc1 ZINC000904068882 626184493 /nfs/dbraw/zinc/18/44/93/626184493.db2.gz GVRIYQXENSRVJJ-UHFFFAOYSA-N -1 3 288.351 1.474 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCCO1 ZINC000905149492 626660348 /nfs/dbraw/zinc/66/03/48/626660348.db2.gz UGICIWVOHVQTRU-SECBINFHSA-N -1 3 268.288 1.510 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnc2n1CCOC2 ZINC000928711719 679791850 /nfs/dbraw/zinc/79/18/50/679791850.db2.gz OLOUQAUWJZVDIS-UHFFFAOYSA-N -1 3 291.282 1.188 10 10 CDCEHM O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)ccc1[O-] ZINC000846103096 683108623 /nfs/dbraw/zinc/10/86/23/683108623.db2.gz LWCIWHRXPGEYNZ-PSVSLLHZSA-N -1 3 271.769 1.751 10 10 CDCEHM C[C@H]1OCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928704504 683173381 /nfs/dbraw/zinc/17/33/81/683173381.db2.gz AGZDUIYFZDIPGI-BDAKNGLRSA-N -1 3 253.273 1.573 10 10 CDCEHM Cc1cc([O-])c(CN2CC(=O)N[C@H](C)C2)c(Cl)c1 ZINC000840949850 683175693 /nfs/dbraw/zinc/17/56/93/683175693.db2.gz CSHKFCBQKFLTPZ-SECBINFHSA-N -1 3 268.744 1.674 10 10 CDCEHM CC(C)(C)[C@H](O)CNC(=O)c1cccc(O)c1[O-] ZINC000324546498 683291165 /nfs/dbraw/zinc/29/11/65/683291165.db2.gz SZHWPTLMJGPLFE-SNVBAGLBSA-N -1 3 253.298 1.235 10 10 CDCEHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@](O)(CO)C1 ZINC000839159117 683470144 /nfs/dbraw/zinc/47/01/44/683470144.db2.gz MDWCYAJBHXADLF-CYBMUJFWSA-N -1 3 289.734 1.504 10 10 CDCEHM Cc1ccc(C(=O)Nc2cnc3c(c2)CNC3=O)c([O-])c1O ZINC001606918694 1164030989 /nfs/dbraw/zinc/03/09/89/1164030989.db2.gz AMLJGUSYYHLAHF-UHFFFAOYSA-N -1 3 299.286 1.297 10 10 CDCEHM Cc1[nH+][n-]c2nnc(NC(=O)c3cccc(O)c3[O-])c-2c1C ZINC001635125840 1166561987 /nfs/dbraw/zinc/56/19/87/1166561987.db2.gz OIHWTHRFPAXPFJ-UHFFFAOYSA-N -1 3 299.290 1.633 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccc2n[nH]nc2n1 ZINC001646033698 1167618462 /nfs/dbraw/zinc/61/84/62/1167618462.db2.gz BXKXOVQWWMYSPG-UHFFFAOYSA-N -1 3 287.254 1.128 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)C1=O ZINC000696641990 905566523 /nfs/dbraw/zinc/56/65/23/905566523.db2.gz NVHSOFVPCDLQOW-RKDXNWHRSA-N -1 3 263.293 1.395 10 10 CDCEHM COc1cccc([O-])c1C(=O)NCc1ccc(O)cc1O ZINC001299572489 945557754 /nfs/dbraw/zinc/55/77/54/945557754.db2.gz DRKTXRWDZBMZQE-UHFFFAOYSA-N -1 3 289.287 1.742 10 10 CDCEHM Cc1cc(=O)[n-]c(CNC(=O)C2=CC(=O)CS2)n1 ZINC001557320289 965165128 /nfs/dbraw/zinc/16/51/28/965165128.db2.gz CSNCXRHLZBJCSX-UHFFFAOYSA-N -1 3 265.294 1.188 10 10 CDCEHM CCc1nnc(CN(C)Cc2ccccc2[O-])n1C ZINC000111235542 359197653 /nfs/dbraw/zinc/19/76/53/359197653.db2.gz BOCAMXRSUYWFGD-UHFFFAOYSA-N -1 3 260.341 1.715 10 10 CDCEHM CCc1nnc(CNCc2cccc(F)c2[O-])[nH]1 ZINC000296186403 371412999 /nfs/dbraw/zinc/41/29/99/371412999.db2.gz YEPYHJIMABXGAE-UHFFFAOYSA-N -1 3 250.277 1.502 10 10 CDCEHM CCc1nc(CNCc2cccc(F)c2[O-])n[nH]1 ZINC000296186403 371413002 /nfs/dbraw/zinc/41/30/02/371413002.db2.gz YEPYHJIMABXGAE-UHFFFAOYSA-N -1 3 250.277 1.502 10 10 CDCEHM O=C1CCN(Cc2c([O-])ccc(Cl)c2F)CCN1 ZINC000191325855 373476262 /nfs/dbraw/zinc/47/62/62/373476262.db2.gz NLAGOIJXDHIABY-UHFFFAOYSA-N -1 3 272.707 1.507 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC(c2cc[nH]n2)CC1 ZINC000193080620 373672959 /nfs/dbraw/zinc/67/29/59/373672959.db2.gz KAYBCUKQUIGGDE-UHFFFAOYSA-N -1 3 287.319 1.841 10 10 CDCEHM CCn1ncc(CN[C@H](C)c2ccc(F)cc2[O-])n1 ZINC000527923559 330296049 /nfs/dbraw/zinc/29/60/49/330296049.db2.gz LDTNDTDBQCPGCH-SECBINFHSA-N -1 3 264.304 1.994 10 10 CDCEHM CC(C)(C)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1O ZINC000280043625 518977934 /nfs/dbraw/zinc/97/79/34/518977934.db2.gz ZPTHBBPPHQFKEL-AAEUAGOBSA-N -1 3 293.363 1.967 10 10 CDCEHM COc1c([O-])c(CN(C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000278214720 521870823 /nfs/dbraw/zinc/87/08/23/521870823.db2.gz KSBRHRGHPKCLBG-JTQLQIEISA-N -1 3 282.296 1.530 10 10 CDCEHM O=C(NCC1(O)Cc2ccccc2C1)c1cccc(O)c1[O-] ZINC000365114322 527577353 /nfs/dbraw/zinc/57/73/53/527577353.db2.gz XJUNEJDNXVKZSZ-UHFFFAOYSA-N -1 3 299.326 1.358 10 10 CDCEHM O=C(NC[C@H](O)c1ccccn1)c1cc([O-])cs1 ZINC000764969675 575969272 /nfs/dbraw/zinc/96/92/72/575969272.db2.gz GSDKHICLOKRFNI-JTQLQIEISA-N -1 3 264.306 1.312 10 10 CDCEHM CNC(=O)[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000840936184 617608796 /nfs/dbraw/zinc/60/87/96/617608796.db2.gz GMUQMJQXGVOTPJ-ZDUSSCGKSA-N -1 3 298.770 1.301 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCc2nccn2C1 ZINC000928707006 620505133 /nfs/dbraw/zinc/50/51/33/620505133.db2.gz ZOBQCTZDQWEXKP-SNVBAGLBSA-N -1 3 289.310 1.607 10 10 CDCEHM CC(=O)N[C@H](C(=O)NCc1c([O-])cccc1F)C(C)C ZINC000928711087 684322809 /nfs/dbraw/zinc/32/28/09/684322809.db2.gz ZXJACJHJIJHFQG-ZDUSSCGKSA-N -1 3 282.315 1.308 10 10 CDCEHM O=C(NC[C@@H]1C[C@H]1C1CCOCC1)c1cccc(O)c1[O-] ZINC000825594533 684363178 /nfs/dbraw/zinc/36/31/78/684363178.db2.gz YXDRZBQUKAYEJS-AAEUAGOBSA-N -1 3 291.347 1.890 10 10 CDCEHM C[C@@H]1C(=O)N(C)CN1Cc1c([O-])cccc1Br ZINC000862400077 684428818 /nfs/dbraw/zinc/42/88/18/684428818.db2.gz LZMSOBBVGTWQNG-MRVPVSSYSA-N -1 3 299.168 1.775 10 10 CDCEHM O=S(=O)(NCc1c([O-])cccc1F)C1CCC1 ZINC000921451135 684577609 /nfs/dbraw/zinc/57/76/09/684577609.db2.gz KIGFYBVYZRFSFW-UHFFFAOYSA-N -1 3 259.302 1.503 10 10 CDCEHM C[C@@H](Cc1cnn(C)c1)C(=O)NCc1c([O-])cccc1F ZINC000928706364 684696240 /nfs/dbraw/zinc/69/62/40/684696240.db2.gz RCPUECQPOJUXMI-JTQLQIEISA-N -1 3 291.326 1.760 10 10 CDCEHM O=C(N[C@H]1CCCC[C@@H]1CO)c1cccc(O)c1[O-] ZINC000187216572 684855794 /nfs/dbraw/zinc/85/57/94/684855794.db2.gz FYJGLRQKHZDOOL-KOLCDFICSA-N -1 3 265.309 1.379 10 10 CDCEHM O=C(CNCc1ccc(F)c(F)c1[O-])NCC(F)(F)F ZINC000703232215 684873251 /nfs/dbraw/zinc/87/32/51/684873251.db2.gz BVSVLCBFZMHTTF-UHFFFAOYSA-N -1 3 298.211 1.439 10 10 CDCEHM CNC(=O)C1(C(=O)NCc2c([O-])cccc2F)CCC1 ZINC000928712064 684970474 /nfs/dbraw/zinc/97/04/74/684970474.db2.gz NVHBYEJNJKKKIC-UHFFFAOYSA-N -1 3 280.299 1.064 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCc2c[nH]nc2C1 ZINC000928704838 684976711 /nfs/dbraw/zinc/97/67/11/684976711.db2.gz FKGFORJSVBKJSU-VIFPVBQESA-N -1 3 289.310 1.676 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCSC1 ZINC000928705268 685786312 /nfs/dbraw/zinc/78/63/12/685786312.db2.gz IMDYKKNNWWLDCQ-QMMMGPOBSA-N -1 3 255.314 1.901 10 10 CDCEHM C[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CO1 ZINC000923048671 685998214 /nfs/dbraw/zinc/99/82/14/685998214.db2.gz UJURITSWTLCBJC-RKDXNWHRSA-N -1 3 268.288 1.508 10 10 CDCEHM O=C1NCCC[C@@H]1NCc1c([O-])ccc(Cl)c1F ZINC000790955146 687058268 /nfs/dbraw/zinc/05/82/68/687058268.db2.gz KHZFEOPSNXPNIY-VIFPVBQESA-N -1 3 272.707 1.553 10 10 CDCEHM C[C@@H]1CCCN(C(=O)C(=O)NCc2c([O-])cccc2F)C1 ZINC000928707351 687315855 /nfs/dbraw/zinc/31/58/55/687315855.db2.gz CZGAFMFJPLBGDM-SNVBAGLBSA-N -1 3 294.326 1.406 10 10 CDCEHM CC(=O)CSCC(=O)NCc1c([O-])cccc1F ZINC000928707106 687664199 /nfs/dbraw/zinc/66/41/99/687664199.db2.gz AAJLEAQEJNOROJ-UHFFFAOYSA-N -1 3 271.313 1.470 10 10 CDCEHM C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001649110246 1161382073 /nfs/dbraw/zinc/38/20/73/1161382073.db2.gz XPXSILZTJFFSKQ-JCULFZFRSA-N -1 3 283.349 1.127 10 10 CDCEHM C[C@@H]1CN(C2CC2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000402920913 1186459011 /nfs/dbraw/zinc/45/90/11/1186459011.db2.gz YXZVFFROUGYSRG-SNVBAGLBSA-N -1 3 276.336 1.407 10 10 CDCEHM O=C(N[C@H]1CCn2ccnc21)c1cccc(O)c1[O-] ZINC001556718285 965085446 /nfs/dbraw/zinc/08/54/46/965085446.db2.gz QIFLGDPODYCBTN-VIFPVBQESA-N -1 3 259.265 1.169 10 10 CDCEHM C[C@@]1(CCCO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC001466148555 969928711 /nfs/dbraw/zinc/92/87/11/969928711.db2.gz KKANAHVLYWZPGH-HNNXBMFYSA-N -1 3 279.336 1.865 10 10 CDCEHM Cc1ccnn1CC(=O)NCc1c([O-])cccc1F ZINC001471975829 970527106 /nfs/dbraw/zinc/52/71/06/970527106.db2.gz IYDHEYDGDKPUQU-UHFFFAOYSA-N -1 3 263.272 1.353 10 10 CDCEHM Cc1cc(Cl)cc(CN2CC[C@H](NC(N)=O)C2)c1[O-] ZINC000271793197 364998670 /nfs/dbraw/zinc/99/86/70/364998670.db2.gz GZMXPFWOULKKFX-NSHDSACASA-N -1 3 283.759 1.597 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1C ZINC000293865933 378600154 /nfs/dbraw/zinc/60/01/54/378600154.db2.gz AOGWDQKEMAFSFY-RKDXNWHRSA-N -1 3 298.364 1.244 10 10 CDCEHM Cc1ccc(C(=O)N2C[C@H](O)C3(CC3)C2)c([O-])c1O ZINC000364446011 391365231 /nfs/dbraw/zinc/36/52/31/391365231.db2.gz DGWAOJVYFLEGID-JTQLQIEISA-N -1 3 263.293 1.003 10 10 CDCEHM O=C(N[C@H]1COc2ccccc21)c1cccc(O)c1[O-] ZINC000126432171 260351637 /nfs/dbraw/zinc/35/16/37/260351637.db2.gz PAFGAVCUIHYQMP-NSHDSACASA-N -1 3 271.272 1.961 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCCNC(=O)[C@H]2C)c1[O-] ZINC000189295480 329379169 /nfs/dbraw/zinc/37/91/69/329379169.db2.gz IELNKMWZJAJUBM-SECBINFHSA-N -1 3 294.326 1.444 10 10 CDCEHM CCn1ncc(CNCc2c([O-])cccc2Cl)n1 ZINC000527734079 330278547 /nfs/dbraw/zinc/27/85/47/330278547.db2.gz KEVUMJUAEOEVLG-UHFFFAOYSA-N -1 3 266.732 1.947 10 10 CDCEHM Cn1ncc(CNCc2cccc(Br)c2[O-])n1 ZINC000289939591 527569280 /nfs/dbraw/zinc/56/92/80/527569280.db2.gz BAXWMZSNZZUCMF-UHFFFAOYSA-N -1 3 297.156 1.573 10 10 CDCEHM COc1ccccc1[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000732271392 575085325 /nfs/dbraw/zinc/08/53/25/575085325.db2.gz UWMRBMBNNYBFFD-NSHDSACASA-N -1 3 293.344 1.926 10 10 CDCEHM O=C(NC[C@@H](O)c1ccccn1)c1cc([O-])cs1 ZINC000764969729 575969171 /nfs/dbraw/zinc/96/91/71/575969171.db2.gz GSDKHICLOKRFNI-SNVBAGLBSA-N -1 3 264.306 1.312 10 10 CDCEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccn(C)n2)c1 ZINC000756779764 577004010 /nfs/dbraw/zinc/00/40/10/577004010.db2.gz VFSTUFPASMJTKP-JTQLQIEISA-N -1 3 289.335 1.763 10 10 CDCEHM C[C@H](NCc1cccc(Cl)c1[O-])C1N=NC(=O)N1C ZINC000895177362 619425941 /nfs/dbraw/zinc/42/59/41/619425941.db2.gz REDIONSXEGLZEQ-ZETCQYMHSA-N -1 3 282.731 1.731 10 10 CDCEHM Cc1nn(C)cc1CC(=O)NCc1c([O-])cccc1F ZINC000928706834 620505184 /nfs/dbraw/zinc/50/51/84/620505184.db2.gz WACAFMKQOUSXRL-UHFFFAOYSA-N -1 3 277.299 1.432 10 10 CDCEHM CCc1noc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000902944345 625627654 /nfs/dbraw/zinc/62/76/54/625627654.db2.gz GAIIMMPARCUUMO-UHFFFAOYSA-N -1 3 265.244 1.407 10 10 CDCEHM C[C@@H]1C[C@H]1c1noc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000902946234 625630907 /nfs/dbraw/zinc/63/09/07/625630907.db2.gz YZRJZRPTXIFEIE-HTQZYQBOSA-N -1 3 291.282 1.968 10 10 CDCEHM COC(=O)C1CC(NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923905722 626370805 /nfs/dbraw/zinc/37/08/05/626370805.db2.gz LLGBKSWWAALVRD-UHFFFAOYSA-N -1 3 296.298 1.282 10 10 CDCEHM CSCCNC(=S)NCc1c([O-])cccc1F ZINC000905662697 626906598 /nfs/dbraw/zinc/90/65/98/626906598.db2.gz YCWRJAMGEXCDRI-UHFFFAOYSA-N -1 3 274.386 1.858 10 10 CDCEHM [O-]c1ccc(Cl)cc1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000802656917 628055704 /nfs/dbraw/zinc/05/57/04/628055704.db2.gz RXZUQCSAEVMOGL-TXEJJXNPSA-N -1 3 269.728 1.645 10 10 CDCEHM CN(CC(=O)NCc1c([O-])cccc1F)C(=O)C1CC1 ZINC000928705325 693977626 /nfs/dbraw/zinc/97/76/26/693977626.db2.gz JKGPUBBCOBBUBX-UHFFFAOYSA-N -1 3 280.299 1.016 10 10 CDCEHM O=C1OC[C@H]2CN(Cc3cc(Cl)cc(F)c3[O-])C[C@@H]12 ZINC000862546246 688350853 /nfs/dbraw/zinc/35/08/53/688350853.db2.gz JTTMLPWIHSCLOL-PSASIEDQSA-N -1 3 285.702 1.790 10 10 CDCEHM CCn1nnc(C)c1C(=O)NCc1c([O-])cccc1F ZINC000928706050 688540083 /nfs/dbraw/zinc/54/00/83/688540083.db2.gz ODGNJHFAIHAFJX-UHFFFAOYSA-N -1 3 278.287 1.381 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CN(C)C(=O)[C@@H]2C)c1[O-] ZINC000830778519 688797217 /nfs/dbraw/zinc/79/72/17/688797217.db2.gz SAWQWMNYIVRDDV-QMMMGPOBSA-N -1 3 280.299 1.354 10 10 CDCEHM CCO[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000922826985 688834232 /nfs/dbraw/zinc/83/42/32/688834232.db2.gz CQGKDJIGAMDIAH-AOOOYVTPSA-N -1 3 282.315 1.898 10 10 CDCEHM C[C@@H]1CCN(S(=O)(=O)NCc2c([O-])cccc2F)C1 ZINC000921452766 688890961 /nfs/dbraw/zinc/89/09/61/688890961.db2.gz YWQDXKGXCKTXFF-SECBINFHSA-N -1 3 288.344 1.208 10 10 CDCEHM CCCN1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928706173 692192091 /nfs/dbraw/zinc/19/20/91/692192091.db2.gz OQWFQKIULZEHQV-JTQLQIEISA-N -1 3 294.326 1.406 10 10 CDCEHM C[C@@](O)(C(=O)NCc1c([O-])cccc1F)C1CCC1 ZINC000928707024 692763550 /nfs/dbraw/zinc/76/35/50/692763550.db2.gz ZVQIYIPYSJUVFH-AWEZNQCLSA-N -1 3 267.300 1.699 10 10 CDCEHM O=C(Nc1cnn(-c2ncccn2)c1)c1cccc(O)c1[O-] ZINC000187115057 692830545 /nfs/dbraw/zinc/83/05/45/692830545.db2.gz PYHUWVXEYXCHFO-UHFFFAOYSA-N -1 3 297.274 1.326 10 10 CDCEHM CCN1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928711556 694774556 /nfs/dbraw/zinc/77/45/56/694774556.db2.gz IRFSSWSONDNTMK-VIFPVBQESA-N -1 3 280.299 1.016 10 10 CDCEHM O=C(Cn1ccc(C(F)F)n1)NCc1c([O-])cccc1F ZINC001646035220 1167618040 /nfs/dbraw/zinc/61/80/40/1167618040.db2.gz SGRCTTKKCILMJK-UHFFFAOYSA-N -1 3 299.252 1.982 10 10 CDCEHM C[C@H](Cc1cccnc1)NC(=O)c1cccc(O)c1[O-] ZINC001647839995 1169064048 /nfs/dbraw/zinc/06/40/48/1169064048.db2.gz USOFMPPJYZYUGZ-SNVBAGLBSA-N -1 3 272.304 1.854 10 10 CDCEHM COCc1nocc1C(=O)NCc1c([O-])cccc1F ZINC001652298415 1171420937 /nfs/dbraw/zinc/42/09/37/1171420937.db2.gz KLISFIZZJWFLDJ-UHFFFAOYSA-N -1 3 280.255 1.596 10 10 CDCEHM O=C(COCC1CC1)NCc1c([O-])cccc1F ZINC000928712740 723082786 /nfs/dbraw/zinc/08/27/86/723082786.db2.gz YMIIHQSRBJXWGM-UHFFFAOYSA-N -1 3 253.273 1.574 10 10 CDCEHM O=C(N[C@@H]1CCc2[nH]cnc2C1)c1c(F)ccc(O)c1[O-] ZINC000827124008 723542696 /nfs/dbraw/zinc/54/26/96/723542696.db2.gz HTLZSPZYDBGMKO-SSDOTTSWSA-N -1 3 291.282 1.247 10 10 CDCEHM O=C(N[C@@H]1CCc2nc[nH]c2C1)c1c(F)ccc(O)c1[O-] ZINC000827124008 723542697 /nfs/dbraw/zinc/54/26/97/723542697.db2.gz HTLZSPZYDBGMKO-SSDOTTSWSA-N -1 3 291.282 1.247 10 10 CDCEHM COC(=O)[C@H](CF)NCc1cc(Cl)c(C)cc1[O-] ZINC000825940323 1165980837 /nfs/dbraw/zinc/98/08/37/1165980837.db2.gz TZZJMBPSSJTJTA-JTQLQIEISA-N -1 3 275.707 1.955 10 10 CDCEHM C[C@H](C[S@](C)=O)N(C)Cc1cccc(F)c1[O-] ZINC000399868426 897109514 /nfs/dbraw/zinc/10/95/14/897109514.db2.gz PCDVMPJAWQKCFR-XLFHBGCDSA-N -1 3 259.346 1.730 10 10 CDCEHM O=C(N[C@@H]1CCn2cncc21)c1cccc(O)c1[O-] ZINC001647819873 1169062767 /nfs/dbraw/zinc/06/27/67/1169062767.db2.gz OBPNBXWCXXLYPN-SECBINFHSA-N -1 3 259.265 1.169 10 10 CDCEHM C[C@@H](C[S@](C)=O)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000703541754 922736451 /nfs/dbraw/zinc/73/64/51/922736451.db2.gz PHMQTIOODSHXNY-ASCAZGACSA-N -1 3 277.336 1.869 10 10 CDCEHM CCOCCO[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928711117 933174223 /nfs/dbraw/zinc/17/42/23/933174223.db2.gz DSMXIXAMOMUBHY-SNVBAGLBSA-N -1 3 285.315 1.589 10 10 CDCEHM CCOC1(C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000399921600 936211020 /nfs/dbraw/zinc/21/10/20/936211020.db2.gz LIRBMTJSNBUYDP-UHFFFAOYSA-N -1 3 251.282 1.349 10 10 CDCEHM O=C(NC/C=C/c1cccnc1)c1cccc(O)c1[O-] ZINC001298673986 955225728 /nfs/dbraw/zinc/22/57/28/955225728.db2.gz SBKSORSHTHOSSQ-HWKANZROSA-N -1 3 270.288 1.936 10 10 CDCEHM Cc1cnn(C)c1C(=O)NCc1c([O-])cccc1F ZINC001558454495 965285501 /nfs/dbraw/zinc/28/55/01/965285501.db2.gz HQGMUOXAZGYNLO-UHFFFAOYSA-N -1 3 263.272 1.503 10 10 CDCEHM Cn1cnc([N+](=O)[O-])c1NCc1c([O-])cccc1F ZINC001458623751 969322044 /nfs/dbraw/zinc/32/20/44/969322044.db2.gz UONJABGUJNJMCO-UHFFFAOYSA-N -1 3 266.232 1.785 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCc2ccncc21 ZINC001466605204 969978044 /nfs/dbraw/zinc/97/80/44/969978044.db2.gz IRMCXHHCIFZVAT-UHFFFAOYSA-N -1 3 256.261 1.696 10 10 CDCEHM Cn1ccnc1CCC(=O)NCc1c([O-])cccc1F ZINC001522162564 970404496 /nfs/dbraw/zinc/40/44/96/970404496.db2.gz ZNTBUBAEDHMWNX-UHFFFAOYSA-N -1 3 277.299 1.514 10 10 CDCEHM CO[C@@H](C)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000191464868 358134361 /nfs/dbraw/zinc/13/43/61/358134361.db2.gz AHIKDULGGVPBGY-IUCAKERBSA-N -1 3 253.298 1.559 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H](O)C[C@H]1CO ZINC000294247659 378631917 /nfs/dbraw/zinc/63/19/17/378631917.db2.gz AHIDTYICQFBRMD-IUCAKERBSA-N -1 3 275.707 1.112 10 10 CDCEHM CS(=O)(=O)CCNCc1cc(Cl)c(F)cc1[O-] ZINC000294299546 424256810 /nfs/dbraw/zinc/25/68/10/424256810.db2.gz PWEJIHWPBIBVCG-UHFFFAOYSA-N -1 3 281.736 1.319 10 10 CDCEHM CCOc1ccc(CN2CCN(C[C@@H](C)O)CC2)c([O-])c1 ZINC000769327617 576346277 /nfs/dbraw/zinc/34/62/77/576346277.db2.gz KFMAKUUATYSVGS-CYBMUJFWSA-N -1 3 294.395 1.289 10 10 CDCEHM [O-]c1c(F)cc(F)cc1CN1CC[C@](O)(C(F)F)C1 ZINC000894889900 619125942 /nfs/dbraw/zinc/12/59/42/619125942.db2.gz WUMCXVUKZOFPRG-GFCCVEGCSA-N -1 3 279.233 1.872 10 10 CDCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1nncn1C ZINC000905146861 626658002 /nfs/dbraw/zinc/65/80/02/626658002.db2.gz DUROSBMPOMTFHK-MRVPVSSYSA-N -1 3 293.302 1.220 10 10 CDCEHM CC(C)OCCNC(=O)NCc1c([O-])cccc1F ZINC000921946617 695363379 /nfs/dbraw/zinc/36/33/79/695363379.db2.gz KKSQMKWXYRZNPE-UHFFFAOYSA-N -1 3 270.304 1.756 10 10 CDCEHM CN1CC2(CN(Cc3cc(F)ccc3[O-])C2)OC1=O ZINC000817416064 695225303 /nfs/dbraw/zinc/22/53/03/695225303.db2.gz ULRCTWGOTPAJDE-UHFFFAOYSA-N -1 3 266.272 1.168 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](CCF)C1 ZINC000700576787 695315144 /nfs/dbraw/zinc/31/51/44/695315144.db2.gz NAIINFCEQWTTFC-SECBINFHSA-N -1 3 269.272 1.298 10 10 CDCEHM COC(OC)[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000923646274 695526534 /nfs/dbraw/zinc/52/65/34/695526534.db2.gz QSWYKDPLIJNCAD-QMMMGPOBSA-N -1 3 286.303 1.338 10 10 CDCEHM C=CC(=O)N(CC)CC(=O)NCc1c([O-])cccc1F ZINC000928706623 696037938 /nfs/dbraw/zinc/03/79/38/696037938.db2.gz SNKZTZXAGUVLAS-UHFFFAOYSA-N -1 3 280.299 1.182 10 10 CDCEHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCS1(=O)=O ZINC000127899110 1166389643 /nfs/dbraw/zinc/38/96/43/1166389643.db2.gz VKJVCYGPWKMWHZ-VIFPVBQESA-N -1 3 289.784 1.665 10 10 CDCEHM Cc1nnc([C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)[nH]1 ZINC001570396820 1170151611 /nfs/dbraw/zinc/15/16/11/1170151611.db2.gz TZEBWOTXHLYNGW-VIFPVBQESA-N -1 3 288.307 1.154 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](C(F)F)C1 ZINC000801423710 723752763 /nfs/dbraw/zinc/75/27/63/723752763.db2.gz HBCZCHYIRRPJPF-VIFPVBQESA-N -1 3 273.235 1.204 10 10 CDCEHM O=C(/C=C/[C@H]1CCOC1)NCc1c([O-])cccc1F ZINC000928706877 723949958 /nfs/dbraw/zinc/94/99/58/723949958.db2.gz YEKQKJQFRIQRMM-YEZKRMTDSA-N -1 3 265.284 1.740 10 10 CDCEHM CC[C@@](C)(OC)C(=O)NCc1c([O-])cccc1F ZINC000928709052 724590711 /nfs/dbraw/zinc/59/07/11/724590711.db2.gz WVMVQPXILCMKPT-CYBMUJFWSA-N -1 3 255.289 1.963 10 10 CDCEHM C[C@H](NCc1cnn(C)n1)c1ccc(F)cc1[O-] ZINC000389818603 724725514 /nfs/dbraw/zinc/72/55/14/724725514.db2.gz WEPDTEBPNSSSJG-QMMMGPOBSA-N -1 3 250.277 1.511 10 10 CDCEHM C[C@@H](C(=O)NCc1c([O-])cccc1F)N1CCSCC1 ZINC000928705242 724048789 /nfs/dbraw/zinc/04/87/89/724048789.db2.gz IDWXJWAJWUXOCO-JTQLQIEISA-N -1 3 298.383 1.585 10 10 CDCEHM C[C@@H](O)[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000840978107 725324415 /nfs/dbraw/zinc/32/44/15/725324415.db2.gz LBWFLKWTSAZNDP-RNCFNFMXSA-N -1 3 255.289 1.113 10 10 CDCEHM O=C(CNC(=O)c1cccc(O)c1[O-])NC1CCCCC1 ZINC000188315907 725363335 /nfs/dbraw/zinc/36/33/35/725363335.db2.gz ROPRDGTWNORZGV-UHFFFAOYSA-N -1 3 292.335 1.277 10 10 CDCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ncn(C)n1 ZINC000922108757 725457267 /nfs/dbraw/zinc/45/72/67/725457267.db2.gz VITANWSEOLYXJR-QMMMGPOBSA-N -1 3 293.302 1.220 10 10 CDCEHM CC[C@H](NC(C)=O)C(=O)NCc1c([O-])cccc1F ZINC000928710212 725571593 /nfs/dbraw/zinc/57/15/93/725571593.db2.gz PXROANLXZIQTMN-NSHDSACASA-N -1 3 268.288 1.062 10 10 CDCEHM Cc1cc([O-])c(CN2CC(=O)N[C@@H](C)C2)c(Cl)c1 ZINC000840949851 725666909 /nfs/dbraw/zinc/66/69/09/725666909.db2.gz CSHKFCBQKFLTPZ-VIFPVBQESA-N -1 3 268.744 1.674 10 10 CDCEHM C[C@H](O)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001168135998 907360872 /nfs/dbraw/zinc/36/08/72/907360872.db2.gz RBNDUVFBRPUGDC-HZMBPMFUSA-N -1 3 287.315 1.950 10 10 CDCEHM Cc1nccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001178410872 915429180 /nfs/dbraw/zinc/42/91/80/915429180.db2.gz WTKVGNOEXWSMOE-UHFFFAOYSA-N -1 3 261.256 1.560 10 10 CDCEHM O=C([O-])C1(C[NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC001326186796 954254956 /nfs/dbraw/zinc/25/49/56/954254956.db2.gz FEUUSDKTSUFFLW-UHFFFAOYSA-N -1 3 283.299 1.502 10 10 CDCEHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1noc(C)n1 ZINC001294447535 954511866 /nfs/dbraw/zinc/51/18/66/954511866.db2.gz WSTUBTZTEWAIAK-SECBINFHSA-N -1 3 277.280 1.670 10 10 CDCEHM Cc1ccc(C(=O)Nc2nn3cnnc3s2)c([O-])c1O ZINC001302503323 956016587 /nfs/dbraw/zinc/01/65/87/956016587.db2.gz GSGIMJPGCOBYNI-UHFFFAOYSA-N -1 3 291.292 1.158 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCn2ncnc21 ZINC001456029199 968851145 /nfs/dbraw/zinc/85/11/45/968851145.db2.gz KNOUXYARVABRQF-VIFPVBQESA-N -1 3 290.298 1.317 10 10 CDCEHM [O-]c1ccc(F)cc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000289657854 285384813 /nfs/dbraw/zinc/38/48/13/285384813.db2.gz YJZGZJDSAPFVHU-HNNXBMFYSA-N -1 3 281.327 1.913 10 10 CDCEHM COc1cccc(CNC(=O)c2cc([O-])cs2)n1 ZINC000732279293 575086397 /nfs/dbraw/zinc/08/63/97/575086397.db2.gz HPMNYMLECXEAFQ-UHFFFAOYSA-N -1 3 264.306 1.787 10 10 CDCEHM CNC(=O)[C@H]1CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000840936183 617608907 /nfs/dbraw/zinc/60/89/07/617608907.db2.gz GMUQMJQXGVOTPJ-CYBMUJFWSA-N -1 3 298.770 1.301 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCCOC1 ZINC000914291692 631321113 /nfs/dbraw/zinc/32/11/13/631321113.db2.gz KKJCABKQQKAYOQ-JTQLQIEISA-N -1 3 282.315 1.757 10 10 CDCEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccc(O)c1O)C2 ZINC001630897715 1166240361 /nfs/dbraw/zinc/24/03/61/1166240361.db2.gz MLABHOZYTWRBMZ-UHFFFAOYSA-N -1 3 287.275 1.058 10 10 CDCEHM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(O)c1[O-] ZINC000193147340 1184554072 /nfs/dbraw/zinc/55/40/72/1184554072.db2.gz GNUPEIYDVJMUBP-GDLCADMTSA-N -1 3 289.331 1.785 10 10 CDCEHM O=C(NCC[C@H](O)C(F)(F)F)c1cccc(O)c1[O-] ZINC000717279616 727106832 /nfs/dbraw/zinc/10/68/32/727106832.db2.gz ONPAZPWAXXVMNE-QMMMGPOBSA-N -1 3 279.214 1.141 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCNC(=O)CC1 ZINC000928706610 727214585 /nfs/dbraw/zinc/21/45/85/727214585.db2.gz RWJIQFYZSJPNFK-SECBINFHSA-N -1 3 280.299 1.064 10 10 CDCEHM CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000830180514 727445767 /nfs/dbraw/zinc/44/57/67/727445767.db2.gz OWHRFKJTFKYOCA-RKDXNWHRSA-N -1 3 281.283 1.347 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2C[C@@H]3COC(=O)[C@@H]3C2)c1[O-] ZINC000860160570 929125701 /nfs/dbraw/zinc/12/57/01/929125701.db2.gz XAMLYEOOUOGSND-ZWNOBZJWSA-N -1 3 293.294 1.339 10 10 CDCEHM COC(=O)CCCC(=O)NCc1c([O-])cccc1F ZINC000928708712 933174571 /nfs/dbraw/zinc/17/45/71/933174571.db2.gz RJAGRWYSWUWBSI-UHFFFAOYSA-N -1 3 269.272 1.491 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)[N-]OC/C=C/Cl ZINC001298870090 955254346 /nfs/dbraw/zinc/25/43/46/955254346.db2.gz SUUBFFGFKLFMLE-DAFODLJHSA-N -1 3 257.673 1.441 10 10 CDCEHM [O-]c1cccc(F)c1CNC(=S)NC[C@H]1CCOC1 ZINC001339334432 962307705 /nfs/dbraw/zinc/30/77/05/962307705.db2.gz YKYCXGWDGIZDDU-SECBINFHSA-N -1 3 284.356 1.532 10 10 CDCEHM Cc1ncc(NC(=O)c2cccc(O)c2[O-])cc1C(N)=O ZINC001557937323 965217837 /nfs/dbraw/zinc/21/78/37/965217837.db2.gz NOAAGFBOBDWDKI-UHFFFAOYSA-N -1 3 287.275 1.152 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cc(=O)cc[nH]1 ZINC001652298770 1171421008 /nfs/dbraw/zinc/42/10/08/1171421008.db2.gz QMRNXTJLZOPZDK-UHFFFAOYSA-N -1 3 262.240 1.150 10 10 CDCEHM COC(=O)[C@@H](NO)c1cc(Br)ccc1[O-] ZINC000308760813 358885453 /nfs/dbraw/zinc/88/54/53/358885453.db2.gz LRXBIPFIXQZJBK-QMMMGPOBSA-N -1 3 276.086 1.348 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@]2(CCCOC2)C1 ZINC000285970503 368679295 /nfs/dbraw/zinc/67/92/95/368679295.db2.gz ORJYHRLZNJIYIS-OAHLLOKOSA-N -1 3 293.319 1.119 10 10 CDCEHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCCNC2=O)c1 ZINC000296352892 378726690 /nfs/dbraw/zinc/72/66/90/378726690.db2.gz IJFJQPYPIGKZDS-SKDRFNHKSA-N -1 3 292.335 1.108 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000765417944 576019372 /nfs/dbraw/zinc/01/93/72/576019372.db2.gz LBVWDYJFYBWGEF-GXSJLCMTSA-N -1 3 294.376 1.585 10 10 CDCEHM C[C@H]1C[C@H](NCc2cn(C)nn2)c2c1c(F)ccc2[O-] ZINC000757654287 577048271 /nfs/dbraw/zinc/04/82/71/577048271.db2.gz DIKURFAPAILMFX-KWQFWETISA-N -1 3 276.315 1.998 10 10 CDCEHM Cc1c(NC(=O)c2cccc(O)c2[O-])cccc1C(N)=O ZINC001625420644 1165906539 /nfs/dbraw/zinc/90/65/39/1165906539.db2.gz QDPDUHCWIOGFLW-UHFFFAOYSA-N -1 3 286.287 1.757 10 10 CDCEHM COc1ccc(N(C)C(=O)c2cccc(O)c2[O-])cn1 ZINC001631350307 1166268810 /nfs/dbraw/zinc/26/88/10/1166268810.db2.gz USJFPGGSNXMIFT-UHFFFAOYSA-N -1 3 274.276 1.778 10 10 CDCEHM COc1cccc([O-])c1C(=O)NCc1cc(O)ccc1O ZINC001651225627 1171305599 /nfs/dbraw/zinc/30/55/99/1171305599.db2.gz QXMIKUJHILIUOA-UHFFFAOYSA-N -1 3 289.287 1.742 10 10 CDCEHM O=S(=O)(CCC1CC1)NCc1c([O-])cccc1F ZINC000921452165 729026507 /nfs/dbraw/zinc/02/65/07/729026507.db2.gz GDFNUUKNWITICN-UHFFFAOYSA-N -1 3 273.329 1.751 10 10 CDCEHM O=S1(=O)CCN(Cc2cc(F)ccc2[O-])[C@H]2CCC[C@@H]21 ZINC000825201708 730029892 /nfs/dbraw/zinc/02/98/92/730029892.db2.gz NBMCHQYQZLIGEC-JSGCOSHPSA-N -1 3 299.367 1.683 10 10 CDCEHM Cc1nc(S(=O)(=O)NCc2c([O-])cccc2F)cn1C ZINC000921452464 730361154 /nfs/dbraw/zinc/36/11/54/730361154.db2.gz QCOWBGOMPRBGDN-UHFFFAOYSA-N -1 3 299.327 1.052 10 10 CDCEHM CON1CCC(N(C)C(=O)c2cccc(O)c2[O-])CC1 ZINC001637473283 1166760346 /nfs/dbraw/zinc/76/03/46/1166760346.db2.gz HXUQDZLCRWJQHK-UHFFFAOYSA-N -1 3 280.324 1.196 10 10 CDCEHM CCC[C@@H](O)CC(=O)NCc1c([O-])cccc1F ZINC000928704932 933173326 /nfs/dbraw/zinc/17/33/26/933173326.db2.gz GGZWBARMUOZMLE-SECBINFHSA-N -1 3 255.289 1.699 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001256543739 948340329 /nfs/dbraw/zinc/34/03/29/948340329.db2.gz SSEUSEGOWSWLAW-RLCGTCKNSA-N -1 3 280.299 1.650 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1C2CCC1(CO)CC2 ZINC000723037030 949717285 /nfs/dbraw/zinc/71/72/85/949717285.db2.gz SSFAKCJSAQIHDH-UHFFFAOYSA-N -1 3 263.293 1.227 10 10 CDCEHM O=C(NC/C=C\c1cccnc1)c1cccc(O)c1[O-] ZINC001298673987 955226086 /nfs/dbraw/zinc/22/60/86/955226086.db2.gz SBKSORSHTHOSSQ-HYXAFXHYSA-N -1 3 270.288 1.936 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H]1[C@H]1CCCOC1 ZINC001522777542 970553158 /nfs/dbraw/zinc/55/31/58/970553158.db2.gz OIEILHYXMKGBEF-JQWIXIFHSA-N -1 3 277.320 1.739 10 10 CDCEHM CCN(Cc1cccc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000272215768 371092126 /nfs/dbraw/zinc/09/21/26/371092126.db2.gz BEFNFHSVDXQJDK-LLVKDONJSA-N -1 3 287.356 1.540 10 10 CDCEHM CN(Cc1c([O-])cccc1Cl)[C@H]1CCN2CCO[C@H]1C2 ZINC000295170224 371139582 /nfs/dbraw/zinc/13/95/82/371139582.db2.gz UDYGDEGHFCPGRF-ZFWWWQNUSA-N -1 3 296.798 1.951 10 10 CDCEHM CO[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1C ZINC000275938160 371205298 /nfs/dbraw/zinc/20/52/98/371205298.db2.gz HZYHTDVUKRNKJV-JOYOIKCWSA-N -1 3 265.309 1.595 10 10 CDCEHM COC[C@@H]1CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000293668979 378598531 /nfs/dbraw/zinc/59/85/31/378598531.db2.gz OPRGOVLDCYWTGG-JTQLQIEISA-N -1 3 282.296 1.530 10 10 CDCEHM Cc1noc([C@@H]2COCCN2Cc2ccccc2[O-])n1 ZINC000188480601 329369164 /nfs/dbraw/zinc/36/91/64/329369164.db2.gz ZLAHQMUNDNLDBB-LBPRGKRZSA-N -1 3 275.308 1.657 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCN(c2cccnn2)CC1 ZINC000732281788 575086674 /nfs/dbraw/zinc/08/66/74/575086674.db2.gz DSXBGMMWVJNEFU-UHFFFAOYSA-N -1 3 290.348 1.206 10 10 CDCEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cn(C)nn2)c1 ZINC000757658976 577048787 /nfs/dbraw/zinc/04/87/87/577048787.db2.gz WHFMXODTWLMPMH-VIFPVBQESA-N -1 3 290.323 1.158 10 10 CDCEHM CC[C@@H](COC)NC(=O)NCc1c([O-])cccc1F ZINC000919721857 632664632 /nfs/dbraw/zinc/66/46/32/632664632.db2.gz ZHIMQEKODMAJLM-VIFPVBQESA-N -1 3 270.304 1.756 10 10 CDCEHM COc1ccc(O)c([C@@H](C)NC(=O)c2cnncc2[O-])c1 ZINC001622779288 1165739047 /nfs/dbraw/zinc/73/90/47/1165739047.db2.gz MWCFEAQTJDTTJB-MRVPVSSYSA-N -1 3 289.291 1.387 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnc2nccn2c1 ZINC001638866871 1166880426 /nfs/dbraw/zinc/88/04/26/1166880426.db2.gz QPVNKQVBXZDZDV-UHFFFAOYSA-N -1 3 286.266 1.504 10 10 CDCEHM COC(=O)/C(C)=C/CNC(=O)NCc1c([O-])cccc1F ZINC000925013043 730963102 /nfs/dbraw/zinc/96/31/02/730963102.db2.gz SGPUVXJQBZPPDG-RMKNXTFCSA-N -1 3 296.298 1.450 10 10 CDCEHM [O-]c1ccc(Cl)c(F)c1CN1CCC(CO)(CO)C1 ZINC000827474667 731841467 /nfs/dbraw/zinc/84/14/67/731841467.db2.gz IQZIFQRFRHRUGN-UHFFFAOYSA-N -1 3 289.734 1.361 10 10 CDCEHM O=C(NC[C@@H]1CCc2cccnc21)c1cccc(O)c1[O-] ZINC000857971381 732278655 /nfs/dbraw/zinc/27/86/55/732278655.db2.gz QLMHOFAHAMIJPS-NSHDSACASA-N -1 3 284.315 1.953 10 10 CDCEHM O=C(NC1(CF)CCOCC1)c1cccc(O)c1[O-] ZINC000836794853 732335353 /nfs/dbraw/zinc/33/53/53/732335353.db2.gz OUARVQXOMKNGCH-UHFFFAOYSA-N -1 3 269.272 1.346 10 10 CDCEHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](O)C[C@H](O)C1 ZINC000792169029 732385106 /nfs/dbraw/zinc/38/51/06/732385106.db2.gz IBTHBNNKUNQLNS-OCAPTIKFSA-N -1 3 275.707 1.112 10 10 CDCEHM [O-]c1ccc(Cl)c(F)c1CN1CC(CCO)C1 ZINC000839137109 732651764 /nfs/dbraw/zinc/65/17/64/732651764.db2.gz ZTZWLGKXXCMULW-UHFFFAOYSA-N -1 3 259.708 1.999 10 10 CDCEHM O=C(NCCOCCF)NCc1c([O-])cccc1F ZINC000923358741 732801431 /nfs/dbraw/zinc/80/14/31/732801431.db2.gz GSSPHCRLSVNLMY-UHFFFAOYSA-N -1 3 274.267 1.317 10 10 CDCEHM Cc1cc([O-])c(CN2CCNC(=O)CC2)c(Cl)c1 ZINC000840913912 732872723 /nfs/dbraw/zinc/87/27/23/732872723.db2.gz MHVIPUWDJDUTMI-UHFFFAOYSA-N -1 3 268.744 1.676 10 10 CDCEHM COC(=O)c1ccc(C(=O)NCc2c([O-])cccc2F)[nH]1 ZINC001638863691 1166880547 /nfs/dbraw/zinc/88/05/47/1166880547.db2.gz QCRQNXRHSHHUHE-UHFFFAOYSA-N -1 3 292.266 1.576 10 10 CDCEHM O=C(CCOCC1CC1)NCc1c([O-])cccc1F ZINC000928705525 933172732 /nfs/dbraw/zinc/17/27/32/933172732.db2.gz KUQVEINLPVYQHX-UHFFFAOYSA-N -1 3 267.300 1.964 10 10 CDCEHM Cc1cc([O-])c(CN2CN(C)C(=O)[C@@H]2C)cc1Cl ZINC001327889932 935121159 /nfs/dbraw/zinc/12/11/59/935121159.db2.gz CJVQIXMPHRPBGD-VIFPVBQESA-N -1 3 268.744 1.974 10 10 CDCEHM CN(C(=O)c1cccc(O)c1[O-])[C@H](CO)c1ccccc1 ZINC001298375246 955181173 /nfs/dbraw/zinc/18/11/73/955181173.db2.gz YODGXLXAJBMGAA-CYBMUJFWSA-N -1 3 287.315 1.903 10 10 CDCEHM CC(C)(NC(=O)c1cccc(O)c1[O-])c1ncc[nH]1 ZINC001556604166 965065721 /nfs/dbraw/zinc/06/57/21/965065721.db2.gz YCSOZDNVLMPKGM-UHFFFAOYSA-N -1 3 261.281 1.486 10 10 CDCEHM Cc1ncccc1CCNC(=O)c1cccc(O)c1[O-] ZINC001456921121 969078430 /nfs/dbraw/zinc/07/84/30/969078430.db2.gz ZVXSRDKBCYOMMC-UHFFFAOYSA-N -1 3 272.304 1.774 10 10 CDCEHM O=S1(=O)CC[C@H](NCc2cc(Cl)c(F)cc2[O-])C1 ZINC000294777164 199178661 /nfs/dbraw/zinc/17/86/61/199178661.db2.gz BLRFUSMQEJWPJA-QMMMGPOBSA-N -1 3 293.747 1.461 10 10 CDCEHM O=C1NCCC[C@@H]1NCc1cccc(Cl)c1[O-] ZINC000124754587 360396076 /nfs/dbraw/zinc/39/60/76/360396076.db2.gz BYLZZHASSQZEDP-JTQLQIEISA-N -1 3 254.717 1.414 10 10 CDCEHM Cc1cc(CNC(=O)c2cccc(O)c2[O-])ccn1 ZINC000391354040 1159122001 /nfs/dbraw/zinc/12/20/01/1159122001.db2.gz IQDHTSJRULAHBQ-UHFFFAOYSA-N -1 3 258.277 1.731 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2C)c([O-])c1O ZINC000278480140 526214104 /nfs/dbraw/zinc/21/41/04/526214104.db2.gz KLKZKBKBGXDZIT-ONGXEEELSA-N -1 3 265.309 1.561 10 10 CDCEHM CCC(C)(C)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731911982 575070278 /nfs/dbraw/zinc/07/02/78/575070278.db2.gz PFCLAPDFBQKAMQ-UHFFFAOYSA-N -1 3 271.338 1.915 10 10 CDCEHM [O-]c1ccc(F)cc1C[NH2+]C1(c2nnn[n-]2)CCCC1 ZINC000770668267 575483638 /nfs/dbraw/zinc/48/36/38/575483638.db2.gz VWCDEWBUTUSAON-UHFFFAOYSA-N -1 3 277.303 1.604 10 10 CDCEHM [O-]c1cc2c(cc1CN1CCN(C3CC3)CC1)[C@H](O)CO2 ZINC000768445610 576284065 /nfs/dbraw/zinc/28/40/65/576284065.db2.gz RRCMAYQJUNWNDC-OAHLLOKOSA-N -1 3 290.363 1.098 10 10 CDCEHM CC(=O)N1CC[C@](C)(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705472 620503724 /nfs/dbraw/zinc/50/37/24/620503724.db2.gz KKLXSGYDORWRRH-HNNXBMFYSA-N -1 3 294.326 1.406 10 10 CDCEHM O=C(Nc1ncc(CCO)s1)c1cccc(O)c1[O-] ZINC001625579607 1165915585 /nfs/dbraw/zinc/91/55/85/1165915585.db2.gz SMWKEIKUMPWBOL-UHFFFAOYSA-N -1 3 280.305 1.341 10 10 CDCEHM COC(=O)CN(C(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000126733553 1175488704 /nfs/dbraw/zinc/48/87/04/1175488704.db2.gz GAQOXXDHQFVUKY-UHFFFAOYSA-N -1 3 293.319 1.656 10 10 CDCEHM COC1CC(CCNC(=O)c2cccc(O)c2[O-])C1 ZINC000855168603 735332820 /nfs/dbraw/zinc/33/28/20/735332820.db2.gz HIVOVWBPWVUWMB-UHFFFAOYSA-N -1 3 265.309 1.643 10 10 CDCEHM Cn1nncc1CNCc1ccc(F)c(F)c1[O-] ZINC000703257581 735516684 /nfs/dbraw/zinc/51/66/84/735516684.db2.gz QHDKKGOYPVHQTJ-UHFFFAOYSA-N -1 3 254.240 1.089 10 10 CDCEHM CCN1CN(Cc2c([O-])cccc2Br)CC1=O ZINC000862343106 736268142 /nfs/dbraw/zinc/26/81/42/736268142.db2.gz AVHPIBPNLXFOTE-UHFFFAOYSA-N -1 3 299.168 1.776 10 10 CDCEHM O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1cccc(O)c1[O-] ZINC000792670487 733246909 /nfs/dbraw/zinc/24/69/09/733246909.db2.gz BPONQPOWTKJLHG-NSHDSACASA-N -1 3 289.291 1.925 10 10 CDCEHM O=C(NCc1ccc(CO)c(F)c1)c1cccc(O)c1[O-] ZINC000192989805 733393057 /nfs/dbraw/zinc/39/30/57/733393057.db2.gz UQOXQLLIWCRKIX-UHFFFAOYSA-N -1 3 291.278 1.659 10 10 CDCEHM CC(C)(C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452064 733882204 /nfs/dbraw/zinc/88/22/04/733882204.db2.gz CHUMNCRRLWIITQ-UHFFFAOYSA-N -1 3 275.345 1.997 10 10 CDCEHM CCOCCO[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928711114 734151618 /nfs/dbraw/zinc/15/16/18/734151618.db2.gz DSMXIXAMOMUBHY-JTQLQIEISA-N -1 3 285.315 1.589 10 10 CDCEHM C[C@H]1OCC[C@H]1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452496 734272891 /nfs/dbraw/zinc/27/28/91/734272891.db2.gz QTTZLVCNVWFOPJ-PRHODGIISA-N -1 3 289.328 1.128 10 10 CDCEHM CC(=O)N1CCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928707795 734740152 /nfs/dbraw/zinc/74/01/52/734740152.db2.gz BTNHHKTVYDXFKU-LBPRGKRZSA-N -1 3 280.299 1.158 10 10 CDCEHM [O-]c1ccc2ccncc2c1CN1CCn2nncc2C1 ZINC000848491272 734873708 /nfs/dbraw/zinc/87/37/08/734873708.db2.gz IPLNQHINPRALOX-UHFFFAOYSA-N -1 3 281.319 1.548 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000923071099 735186927 /nfs/dbraw/zinc/18/69/27/735186927.db2.gz SSEUSEGOWSWLAW-DYLAAIIWSA-N -1 3 280.299 1.650 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@]1(F)CCOC1 ZINC001119715469 937749866 /nfs/dbraw/zinc/74/98/66/937749866.db2.gz VXDHMIRBXACEFN-GFCCVEGCSA-N -1 3 257.236 1.276 10 10 CDCEHM CO[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CC[C@H]1C ZINC000187924762 357823027 /nfs/dbraw/zinc/82/30/27/357823027.db2.gz BQQBUDZXSKEGDI-SKDRFNHKSA-N -1 3 279.336 1.903 10 10 CDCEHM C[C@](O)(CNCc1cccc(F)c1[O-])C(F)(F)F ZINC000272243924 365148864 /nfs/dbraw/zinc/14/88/64/365148864.db2.gz AZUWIHHGLFFAPZ-JTQLQIEISA-N -1 3 267.222 1.934 10 10 CDCEHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c([O-])c1O ZINC000177658416 391172878 /nfs/dbraw/zinc/17/28/78/391172878.db2.gz XGERQMVDLKJYHC-NXEZZACHSA-N -1 3 265.309 1.656 10 10 CDCEHM C[C@@H](NC[C@H](O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273429299 287036234 /nfs/dbraw/zinc/03/62/34/287036234.db2.gz VFLKYYKEMUQFQO-LDWIPMOCSA-N -1 3 294.229 1.874 10 10 CDCEHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])CC(=O)N1C ZINC000282814768 263078947 /nfs/dbraw/zinc/07/89/47/263078947.db2.gz SWNMEXXBSVYNNR-SECBINFHSA-N -1 3 252.289 1.194 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000765417947 576019065 /nfs/dbraw/zinc/01/90/65/576019065.db2.gz LBVWDYJFYBWGEF-ONGXEEELSA-N -1 3 294.376 1.585 10 10 CDCEHM CN(Cc1cc[nH]n1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768448689 576284616 /nfs/dbraw/zinc/28/46/16/576284616.db2.gz VLUUNUGRAIXSRD-CYBMUJFWSA-N -1 3 275.308 1.173 10 10 CDCEHM C[C@H](C(=O)NCc1c([O-])cccc1F)c1ccnn1C ZINC000928705558 620503517 /nfs/dbraw/zinc/50/35/17/620503517.db2.gz JUORKEPSDJBRJK-VIFPVBQESA-N -1 3 277.299 1.685 10 10 CDCEHM CCOC(=O)CCCNC(=O)NCc1c([O-])cccc1F ZINC000914128596 631052713 /nfs/dbraw/zinc/05/27/13/631052713.db2.gz SRSGJPNYTQIRFQ-UHFFFAOYSA-N -1 3 298.314 1.674 10 10 CDCEHM O=C(NCCOCC1CC1)NCc1c([O-])cccc1F ZINC000917491206 632226381 /nfs/dbraw/zinc/22/63/81/632226381.db2.gz QZONBTMOPCSHSH-UHFFFAOYSA-N -1 3 282.315 1.757 10 10 CDCEHM Cc1nonc1CNC(=O)NCc1c([O-])cccc1F ZINC001638111122 1166818933 /nfs/dbraw/zinc/81/89/33/1166818933.db2.gz ZHMRPGBIEMXFBR-UHFFFAOYSA-N -1 3 280.259 1.222 10 10 CDCEHM O=C(N[C@H]1CC[C@@H](CO)CC1)c1cccc(O)c1[O-] ZINC000187200067 1184254767 /nfs/dbraw/zinc/25/47/67/1184254767.db2.gz QRHHUHLEVIWZNK-MGCOHNPYSA-N -1 3 265.309 1.379 10 10 CDCEHM C[C@H](N[C@H](CO)c1ccnn1C)c1cc(F)cc(F)c1[O-] ZINC000858434832 736370813 /nfs/dbraw/zinc/37/08/13/736370813.db2.gz QRWKHQJSCPXLHN-QPUJVOFHSA-N -1 3 297.305 1.788 10 10 CDCEHM COC(=O)C[C@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000855905577 737149202 /nfs/dbraw/zinc/14/92/02/737149202.db2.gz AUSGTBYZVCADHR-SNVBAGLBSA-N -1 3 293.319 1.417 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1noc2c1COCC2 ZINC000928713059 738866155 /nfs/dbraw/zinc/86/61/55/738866155.db2.gz ZRNYYPLHHNCNTF-UHFFFAOYSA-N -1 3 292.266 1.522 10 10 CDCEHM CO[C@H](C)[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922539365 736346370 /nfs/dbraw/zinc/34/63/70/736346370.db2.gz AVXOPFLETOHQIJ-RKDXNWHRSA-N -1 3 270.304 1.754 10 10 CDCEHM CC(=O)N1CCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928707792 737462766 /nfs/dbraw/zinc/46/27/66/737462766.db2.gz BTNHHKTVYDXFKU-GFCCVEGCSA-N -1 3 280.299 1.158 10 10 CDCEHM CC[C@H](C[C@@H](C)O)NC(=O)c1cccc(O)c1[O-] ZINC000716888485 737676886 /nfs/dbraw/zinc/67/68/86/737676886.db2.gz IFLLYZOKDNJVTA-RKDXNWHRSA-N -1 3 253.298 1.377 10 10 CDCEHM O=C1CCN(Cc2ccc(Br)cc2[O-])CCN1 ZINC000824714485 737712257 /nfs/dbraw/zinc/71/22/57/737712257.db2.gz QKNAUUMDDJYQFA-UHFFFAOYSA-N -1 3 299.168 1.477 10 10 CDCEHM Cc1ccnc([C@H](C)NC(=O)c2cccc(O)c2[O-])n1 ZINC001630334300 1166200844 /nfs/dbraw/zinc/20/08/44/1166200844.db2.gz KRYZXGKRRJHEKV-VIFPVBQESA-N -1 3 273.292 1.687 10 10 CDCEHM C[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1ccccc1O ZINC001642828080 1167200443 /nfs/dbraw/zinc/20/04/43/1167200443.db2.gz YWBKGDBONILBCE-MRVPVSSYSA-N -1 3 259.265 1.379 10 10 CDCEHM C[C@H]1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])O1 ZINC000688966642 934757922 /nfs/dbraw/zinc/75/79/22/934757922.db2.gz GEQFFRGGWPJYSD-UWVGGRQHSA-N -1 3 265.309 1.785 10 10 CDCEHM CCC(CC)(CC(=O)OC)NC(=O)c1cccc(O)c1[O-] ZINC001294093915 954461923 /nfs/dbraw/zinc/46/19/23/954461923.db2.gz FHMKDPCPCMZNKR-UHFFFAOYSA-N -1 3 295.335 1.950 10 10 CDCEHM O=C(N[C@@H]1COc2ccccc2C1=O)c1cccc(O)c1[O-] ZINC001295088945 954606417 /nfs/dbraw/zinc/60/64/17/954606417.db2.gz LRDHFYZGBJHQJO-LLVKDONJSA-N -1 3 299.282 1.472 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)[N-]OCCC(F)(F)F ZINC001296688352 954889082 /nfs/dbraw/zinc/88/90/82/954889082.db2.gz SMZXRTCXHAVLKR-UHFFFAOYSA-N -1 3 279.214 1.641 10 10 CDCEHM CO[C@@H]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC001332784782 957837046 /nfs/dbraw/zinc/83/70/46/957837046.db2.gz XGPOIWZRVYDXLP-VHSXEESVSA-N -1 3 282.315 1.898 10 10 CDCEHM COc1cc(NC(=O)c2cccc(O)c2[O-])n(C)n1 ZINC001558457901 965287993 /nfs/dbraw/zinc/28/79/93/965287993.db2.gz YSDZPTCDPUGUMF-UHFFFAOYSA-N -1 3 263.253 1.092 10 10 CDCEHM COC(=O)c1ccc([O-])c(CN2C[C@@H](C)CC2=O)c1 ZINC000584598592 346496270 /nfs/dbraw/zinc/49/62/70/346496270.db2.gz APLSATZVLYRSNL-VIFPVBQESA-N -1 3 263.293 1.547 10 10 CDCEHM CO[C@H](C)[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000191464853 358133688 /nfs/dbraw/zinc/13/36/88/358133688.db2.gz AHIKDULGGVPBGY-DTWKUNHWSA-N -1 3 253.298 1.559 10 10 CDCEHM CCN(CC(=O)OC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000267458327 363826461 /nfs/dbraw/zinc/82/64/61/363826461.db2.gz QJRJBYWTZMNUOO-UHFFFAOYSA-N -1 3 283.299 1.729 10 10 CDCEHM Cc1cc(Cl)cc(CN2CCN3CCOC[C@H]3C2)c1[O-] ZINC000375240389 370800192 /nfs/dbraw/zinc/80/01/92/370800192.db2.gz XCHXAWDQZUCCLD-CQSZACIVSA-N -1 3 296.798 1.870 10 10 CDCEHM C[C@H]1COC[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000185718356 327843095 /nfs/dbraw/zinc/84/30/95/327843095.db2.gz MGTZULJVLVADNK-IUCAKERBSA-N -1 3 251.282 1.347 10 10 CDCEHM Cc1cn2c(n1)CN(C(=O)c1ccc(C)c(O)c1[O-])CC2 ZINC000371736890 328958356 /nfs/dbraw/zinc/95/83/56/328958356.db2.gz QERQOQSDLSSJIK-UHFFFAOYSA-N -1 3 287.319 1.567 10 10 CDCEHM Cc1cc(Cl)cc(CN2CCN3C(=O)OC[C@@H]3C2)c1[O-] ZINC000378440827 329050491 /nfs/dbraw/zinc/05/04/91/329050491.db2.gz CPGBKSAVYIUDEB-LBPRGKRZSA-N -1 3 296.754 1.990 10 10 CDCEHM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000280801270 521138159 /nfs/dbraw/zinc/13/81/59/521138159.db2.gz SHDKSSMXQSRGMO-ZJUUUORDSA-N -1 3 293.319 1.559 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895653253 619789838 /nfs/dbraw/zinc/78/98/38/619789838.db2.gz LWHGRVRRGPHRCU-PRHODGIISA-N -1 3 257.692 1.751 10 10 CDCEHM CC(=O)N1CC[C@@](C)(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705480 620503387 /nfs/dbraw/zinc/50/33/87/620503387.db2.gz KKLXSGYDORWRRH-OAHLLOKOSA-N -1 3 294.326 1.406 10 10 CDCEHM C[S@](=O)[C@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001649110249 1161382539 /nfs/dbraw/zinc/38/25/39/1161382539.db2.gz XPXSILZTJFFSKQ-OWXODZSWSA-N -1 3 283.349 1.127 10 10 CDCEHM CC[C@H](C)C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC000843940758 1164243361 /nfs/dbraw/zinc/24/33/61/1164243361.db2.gz WCSWSLWYYXXWPJ-GXSJLCMTSA-N -1 3 295.335 1.805 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cccc(CO)c1 ZINC001652298963 1171420058 /nfs/dbraw/zinc/42/00/58/1171420058.db2.gz WFULMOYYRWJLLJ-UHFFFAOYSA-N -1 3 275.279 1.954 10 10 CDCEHM Cc1noc([C@H](NC(=O)c2cccc(O)c2[O-])C(C)C)n1 ZINC000193064911 1184547870 /nfs/dbraw/zinc/54/78/70/1184547870.db2.gz DPVYNOZGKKYZEL-LLVKDONJSA-N -1 3 291.307 1.916 10 10 CDCEHM O=C(Nc1cccc(CCO)c1)c1cccc(O)c1[O-] ZINC000313145238 1186707036 /nfs/dbraw/zinc/70/70/36/1186707036.db2.gz LLEGZWFBTIXHPL-UHFFFAOYSA-N -1 3 273.288 1.885 10 10 CDCEHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCOC1 ZINC000311181392 739426017 /nfs/dbraw/zinc/42/60/17/739426017.db2.gz YUQQDKQRSGCHMM-SECBINFHSA-N -1 3 251.282 1.349 10 10 CDCEHM Cc1nnc(CC(=O)NCc2c([O-])cccc2F)o1 ZINC000928706266 739784597 /nfs/dbraw/zinc/78/45/97/739784597.db2.gz QDHKBFMJKKFGMN-UHFFFAOYSA-N -1 3 265.244 1.082 10 10 CDCEHM O=C(CC1CCOCC1)NCc1c([O-])cccc1F ZINC000928704503 739848778 /nfs/dbraw/zinc/84/87/78/739848778.db2.gz AGENISXRWJCSMR-UHFFFAOYSA-N -1 3 267.300 1.964 10 10 CDCEHM Cc1nonc1CC(=O)NCc1c([O-])cccc1F ZINC000928706055 740329591 /nfs/dbraw/zinc/32/95/91/740329591.db2.gz OEBJFYYGPFJSFU-UHFFFAOYSA-N -1 3 265.244 1.082 10 10 CDCEHM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000776355869 740322628 /nfs/dbraw/zinc/32/26/28/740322628.db2.gz POMKHJQPWHKIML-KOLCDFICSA-N -1 3 292.335 1.262 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1(C(=O)NC2CC2)CC1 ZINC000928712100 741432191 /nfs/dbraw/zinc/43/21/91/741432191.db2.gz OQUCCWOZZMEYHC-UHFFFAOYSA-N -1 3 292.310 1.206 10 10 CDCEHM Cc1cnc([C@H](C)NC(=O)c2cccc(O)c2[O-])o1 ZINC000229417371 739373341 /nfs/dbraw/zinc/37/33/41/739373341.db2.gz QGQOAPVRHMBFSI-QMMMGPOBSA-N -1 3 262.265 1.885 10 10 CDCEHM C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2c([O-])cccc2F)O1 ZINC000928707455 740538641 /nfs/dbraw/zinc/53/86/41/740538641.db2.gz DPTUXHCFSUCEMY-KKFJDGPESA-N -1 3 267.300 1.961 10 10 CDCEHM CCN(C)C(=O)CNCc1ccc(F)c(F)c1[O-] ZINC000703307745 740699861 /nfs/dbraw/zinc/69/98/61/740699861.db2.gz JFPCRRIDSYEPAL-UHFFFAOYSA-N -1 3 258.268 1.238 10 10 CDCEHM NS(=O)(=O)c1cccc(NCc2cccc(F)c2[O-])c1 ZINC000164930093 740864025 /nfs/dbraw/zinc/86/40/25/740864025.db2.gz FYBKRPPCAVGXKE-UHFFFAOYSA-N -1 3 296.323 1.791 10 10 CDCEHM Cc1cc([O-])c(CN2CN(C)C(=O)[C@H]2C)c(Cl)c1 ZINC000843435197 740940811 /nfs/dbraw/zinc/94/08/11/740940811.db2.gz KNATWHLPMCMPFZ-SECBINFHSA-N -1 3 268.744 1.974 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCOC1 ZINC000928712734 741340078 /nfs/dbraw/zinc/34/00/78/741340078.db2.gz YGQXGARNXIAYAG-VIFPVBQESA-N -1 3 253.273 1.574 10 10 CDCEHM CCCN1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928706174 741522336 /nfs/dbraw/zinc/52/23/36/741522336.db2.gz OQWFQKIULZEHQV-SNVBAGLBSA-N -1 3 294.326 1.406 10 10 CDCEHM C[C@@]1(C(F)F)CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000698910754 913053212 /nfs/dbraw/zinc/05/32/12/913053212.db2.gz YGEVZNPHGXNROO-ZDUSSCGKSA-N -1 3 287.262 1.594 10 10 CDCEHM Cc1oc(C(=O)NCc2c([O-])cccc2F)cc1CO ZINC001178413693 915431681 /nfs/dbraw/zinc/43/16/81/915431681.db2.gz WKWADTBMRDENQB-UHFFFAOYSA-N -1 3 279.267 1.855 10 10 CDCEHM COCc1cc(C(=O)NCc2c([O-])cccc2F)no1 ZINC001178413299 915433638 /nfs/dbraw/zinc/43/36/38/915433638.db2.gz PYCSHQOLQDHUBE-UHFFFAOYSA-N -1 3 280.255 1.596 10 10 CDCEHM C[C@@]1(NC(=O)NCc2c([O-])cccc2F)CCOC1=O ZINC001346990065 965322907 /nfs/dbraw/zinc/32/29/07/965322907.db2.gz KQUDKUCTXMHLHD-CYBMUJFWSA-N -1 3 282.271 1.036 10 10 CDCEHM CO[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CC[C@H]1C ZINC000187924698 357823532 /nfs/dbraw/zinc/82/35/32/357823532.db2.gz BQQBUDZXSKEGDI-BXKDBHETSA-N -1 3 279.336 1.903 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]2COC[C@H]21 ZINC000374404028 370695236 /nfs/dbraw/zinc/69/52/36/370695236.db2.gz UJJTUTLGBZIRGA-GXSJLCMTSA-N -1 3 263.293 1.349 10 10 CDCEHM CN(Cc1cccc(F)c1[O-])[C@H]1CCN(C)C1=O ZINC000272240546 365147678 /nfs/dbraw/zinc/14/76/78/365147678.db2.gz GNQADQDCQXYMRR-NSHDSACASA-N -1 3 252.289 1.194 10 10 CDCEHM COCCC1(C)CN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000293103995 523026243 /nfs/dbraw/zinc/02/62/43/523026243.db2.gz TZSHYOJKZPPLLS-UHFFFAOYSA-N -1 3 279.336 1.905 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2CCOC[C@H]2C)c([O-])c1O ZINC000278480138 526214723 /nfs/dbraw/zinc/21/47/23/526214723.db2.gz KLKZKBKBGXDZIT-KOLCDFICSA-N -1 3 265.309 1.561 10 10 CDCEHM COCCN1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000748323398 576904787 /nfs/dbraw/zinc/90/47/87/576904787.db2.gz JVKQBGIWNAGQBY-UHFFFAOYSA-N -1 3 284.381 1.248 10 10 CDCEHM Cc1cc([O-])c(CN2CCN3C(=O)OC[C@H]3C2)c(Cl)c1 ZINC000840915703 617663534 /nfs/dbraw/zinc/66/35/34/617663534.db2.gz FEYMORZQVAUAMM-SNVBAGLBSA-N -1 3 296.754 1.990 10 10 CDCEHM Cc1cc([O-])c(CN(C)[C@@H]2CCNC2=O)c(Cl)c1 ZINC000840920284 617712308 /nfs/dbraw/zinc/71/23/08/617712308.db2.gz FBYBQYAGGYPNOG-LLVKDONJSA-N -1 3 268.744 1.674 10 10 CDCEHM CCOC(=O)[C@@H](CC)C(=O)NCc1c([O-])cccc1F ZINC000928705552 620503531 /nfs/dbraw/zinc/50/35/31/620503531.db2.gz JSCXPMFSMXEQHR-VIFPVBQESA-N -1 3 283.299 1.737 10 10 CDCEHM CCC/C=C\[C@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928710513 620506662 /nfs/dbraw/zinc/50/66/62/620506662.db2.gz UFHPURAECYEWSX-IRBQFCFKSA-N -1 3 267.300 1.865 10 10 CDCEHM COC(=O)[C@H]1COCCN1Cc1c([O-])cc(C)cc1Cl ZINC000840918421 743592011 /nfs/dbraw/zinc/59/20/11/743592011.db2.gz SNOOXPDIPNXJNS-GFCCVEGCSA-N -1 3 299.754 1.728 10 10 CDCEHM NC(=O)N[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792172634 745406471 /nfs/dbraw/zinc/40/64/71/745406471.db2.gz IRDCBBLUKWKCGC-SSDOTTSWSA-N -1 3 287.722 1.427 10 10 CDCEHM CC[C@@]1(C(=O)NCc2c([O-])cccc2F)CCNC1=O ZINC000928710737 745866608 /nfs/dbraw/zinc/86/66/08/745866608.db2.gz WLZMFJLYSGBEQM-CQSZACIVSA-N -1 3 280.299 1.064 10 10 CDCEHM CC(=O)C(=O)COC(=O)c1cc2ccsc2[n-]1 ZINC000808494449 746363231 /nfs/dbraw/zinc/36/32/31/746363231.db2.gz ZLFVTVUAFUDVNO-UHFFFAOYSA-N -1 3 251.263 1.544 10 10 CDCEHM CC[C@H](CS(=O)(=O)NCc1c([O-])cccc1F)OC ZINC000921450827 748142663 /nfs/dbraw/zinc/14/26/63/748142663.db2.gz GBCXUVJWWJEAGT-SECBINFHSA-N -1 3 291.344 1.376 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCC[C@H]1CCO ZINC000922100878 748757004 /nfs/dbraw/zinc/75/70/04/748757004.db2.gz QITSFWYBRXUIMH-GWCFXTLKSA-N -1 3 296.342 1.882 10 10 CDCEHM COC(=O)[C@@H](CF)NCc1c([O-])cc(C)cc1Cl ZINC000840945364 748831999 /nfs/dbraw/zinc/83/19/99/748831999.db2.gz LLJUEXQYYZNSGP-SNVBAGLBSA-N -1 3 275.707 1.955 10 10 CDCEHM O=C(N[C@H]1COC2(CCC2)C1)c1cccc(O)c1[O-] ZINC000688343467 934589569 /nfs/dbraw/zinc/58/95/69/934589569.db2.gz XOSBHCWYKPSGFR-SECBINFHSA-N -1 3 263.293 1.539 10 10 CDCEHM COc1cccnc1CNC(=O)c1cccc(O)c1[O-] ZINC001557040370 965134850 /nfs/dbraw/zinc/13/48/50/965134850.db2.gz ZBVAGQVCZDDYRH-UHFFFAOYSA-N -1 3 274.276 1.431 10 10 CDCEHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cn[nH]c1 ZINC000270256290 364521607 /nfs/dbraw/zinc/52/16/07/364521607.db2.gz VFMMJMSYEAXONW-MRVPVSSYSA-N -1 3 262.269 1.874 10 10 CDCEHM O=C(Oc1cccc(O)c1O)c1cc(O)c([O-])c(O)c1 ZINC000575415975 364802028 /nfs/dbraw/zinc/80/20/28/364802028.db2.gz LMMWFNUPJGEENR-UHFFFAOYSA-N -1 3 278.216 1.434 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2CCc3[nH]cnc3C2)c([O-])c1O ZINC000370360418 267312473 /nfs/dbraw/zinc/31/24/73/267312473.db2.gz YNAXWDHZIFPPBW-VIFPVBQESA-N -1 3 287.319 1.417 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c([O-])c1O ZINC000370360418 267312474 /nfs/dbraw/zinc/31/24/74/267312474.db2.gz YNAXWDHZIFPPBW-VIFPVBQESA-N -1 3 287.319 1.417 10 10 CDCEHM CN(CC1CC1)C(=O)COC(=O)c1cc([O-])cs1 ZINC000732353733 575088185 /nfs/dbraw/zinc/08/81/85/575088185.db2.gz TYGUIJVDOCRJIH-UHFFFAOYSA-N -1 3 269.322 1.479 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H](CO)c2ccsc2)c([O-])c1O ZINC000771536180 575588077 /nfs/dbraw/zinc/58/80/77/575588077.db2.gz MUVIIEDPPNGXJD-NSHDSACASA-N -1 3 293.344 1.931 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000741286307 576549955 /nfs/dbraw/zinc/54/99/55/576549955.db2.gz YMWTYAQQAGLKEA-SECBINFHSA-N -1 3 281.255 1.593 10 10 CDCEHM O=C(NC[C@@H](CO)c1ccccc1)c1cc([O-])cs1 ZINC000755835055 576963947 /nfs/dbraw/zinc/96/39/47/576963947.db2.gz DXYMBVYUIBPZQW-NSHDSACASA-N -1 3 277.345 1.960 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@H]1CCc2nccn2C1 ZINC000928707004 620505394 /nfs/dbraw/zinc/50/53/94/620505394.db2.gz ZOBQCTZDQWEXKP-JTQLQIEISA-N -1 3 289.310 1.607 10 10 CDCEHM O=C(NCc1cc(C2CC2)no1)c1cccc(O)c1[O-] ZINC000899369760 622217285 /nfs/dbraw/zinc/21/72/85/622217285.db2.gz KUWZZIJVTRGEMX-UHFFFAOYSA-N -1 3 274.276 1.893 10 10 CDCEHM [O-]c1cccc(F)c1CNC(=S)NC[C@H]1CCCO1 ZINC000905659773 626904871 /nfs/dbraw/zinc/90/48/71/626904871.db2.gz BODLMGFWDJRXGO-SECBINFHSA-N -1 3 284.356 1.674 10 10 CDCEHM CNC(=O)CCCCC(=O)NCc1c([O-])cccc1F ZINC000928708325 751437409 /nfs/dbraw/zinc/43/74/09/751437409.db2.gz JWBYWMZYROVLMP-UHFFFAOYSA-N -1 3 282.315 1.454 10 10 CDCEHM Cn1nccc1[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000928367539 750404484 /nfs/dbraw/zinc/40/44/84/750404484.db2.gz IFOZDRWAYXFBHU-GFCCVEGCSA-N -1 3 287.319 1.809 10 10 CDCEHM Cn1cc(CNCc2cc(Br)ccc2[O-])nn1 ZINC000389825137 751113289 /nfs/dbraw/zinc/11/32/89/751113289.db2.gz PFVIASVKTXEJEH-UHFFFAOYSA-N -1 3 297.156 1.573 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](O)CC12CCC2 ZINC000857291544 753069596 /nfs/dbraw/zinc/06/95/96/753069596.db2.gz GETOLXIWGZOBJR-SNVBAGLBSA-N -1 3 277.320 1.617 10 10 CDCEHM COc1c([O-])c(CN2CC(C)(CO)C2)ccc1[N+](=O)[O-] ZINC000839145819 905067548 /nfs/dbraw/zinc/06/75/48/905067548.db2.gz VWIXIRYKOQCXCD-UHFFFAOYSA-N -1 3 282.296 1.123 10 10 CDCEHM Cc1cc(CNCc2ccc(F)c(F)c2[O-])[nH]n1 ZINC000716469999 910639822 /nfs/dbraw/zinc/63/98/22/910639822.db2.gz HSKYKVQTTUJPLG-UHFFFAOYSA-N -1 3 253.252 1.992 10 10 CDCEHM C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])c2ncnn21 ZINC000855328815 928391761 /nfs/dbraw/zinc/39/17/61/928391761.db2.gz XVXSRGGIOUOHNZ-CBAPKCEASA-N -1 3 274.280 1.125 10 10 CDCEHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)CO)c1[O-] ZINC000135614281 361751950 /nfs/dbraw/zinc/75/19/50/361751950.db2.gz IUJALTQBBYXESN-QMMMGPOBSA-N -1 3 255.289 1.547 10 10 CDCEHM CC1(C)SC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000283199143 362199553 /nfs/dbraw/zinc/19/95/53/362199553.db2.gz LDZIFMCYGROGSR-SECBINFHSA-N -1 3 253.323 1.722 10 10 CDCEHM CNC(=O)C1CN(Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000297525975 371998544 /nfs/dbraw/zinc/99/85/44/371998544.db2.gz YUCBAJRQCPEHLX-UHFFFAOYSA-N -1 3 268.744 1.532 10 10 CDCEHM O=C1c2ccccc2C(=O)c2c([O-])c(CO)ccc21 ZINC000004098663 375868856 /nfs/dbraw/zinc/86/88/56/375868856.db2.gz JCZCSQSSSAHDCB-UHFFFAOYSA-N -1 3 254.241 1.660 10 10 biogenic,in-vitro CDCEHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](CO)C1 ZINC000295446663 378680017 /nfs/dbraw/zinc/68/00/17/378680017.db2.gz UWERRCIHZKYIMH-QMMMGPOBSA-N -1 3 259.708 1.999 10 10 CDCEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000529974790 333516482 /nfs/dbraw/zinc/51/64/82/333516482.db2.gz CWHSMLFRBPOHGK-JXVAYASWSA-N -1 3 265.309 1.640 10 10 CDCEHM CCOc1ccc(CN2CCN(C(C)=O)C[C@H]2C)c([O-])c1 ZINC000769449129 576354648 /nfs/dbraw/zinc/35/46/48/576354648.db2.gz ZKKPVBUKEQEJPM-GFCCVEGCSA-N -1 3 292.379 1.844 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)NCC1CSC1 ZINC000923834911 632344892 /nfs/dbraw/zinc/34/48/92/632344892.db2.gz JBPFPEMLCCDLBV-UHFFFAOYSA-N -1 3 270.329 1.694 10 10 CDCEHM COc1cccnc1CC(=O)NCc1c([O-])cccc1F ZINC001645048447 1167361158 /nfs/dbraw/zinc/36/11/58/1167361158.db2.gz WJAVNKBWXZQSOE-UHFFFAOYSA-N -1 3 290.294 1.794 10 10 CDCEHM O=C(Nc1n[nH]c2[nH]c(=O)ccc12)c1cccc(O)c1[O-] ZINC001569859563 1170020254 /nfs/dbraw/zinc/02/02/54/1170020254.db2.gz DHAAQPDOUVOXRZ-UHFFFAOYSA-N -1 3 286.247 1.327 10 10 CDCEHM C[C@H](C[S@](C)=O)NC(=O)NCc1c([O-])cccc1F ZINC000921924294 754535396 /nfs/dbraw/zinc/53/53/96/754535396.db2.gz NROSKKVGWDVKMH-YLVJLNSGSA-N -1 3 288.344 1.098 10 10 CDCEHM O=C(NC[C@@H](O)Cc1ccccc1)c1cccc(O)c1[O-] ZINC000187073876 754658042 /nfs/dbraw/zinc/65/80/42/754658042.db2.gz CSNKYINGSKCWDO-LBPRGKRZSA-N -1 3 287.315 1.431 10 10 CDCEHM O=C(N[C@@H](c1ncccn1)C1CC1)c1cccc(O)c1[O-] ZINC000928581240 755849379 /nfs/dbraw/zinc/84/93/79/755849379.db2.gz MMGQPENQUGFAMX-GFCCVEGCSA-N -1 3 285.303 1.769 10 10 CDCEHM CO[C@H](C(=O)NCc1c([O-])cccc1F)C1CCC1 ZINC000928712572 757181285 /nfs/dbraw/zinc/18/12/85/757181285.db2.gz SCIDHNQPJXJQEA-ZDUSSCGKSA-N -1 3 267.300 1.963 10 10 CDCEHM COC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000844006915 757308597 /nfs/dbraw/zinc/30/85/97/757308597.db2.gz FCEYPBNTPDRVSX-JTQLQIEISA-N -1 3 295.335 1.805 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCOCC1 ZINC000928707165 757730249 /nfs/dbraw/zinc/73/02/49/757730249.db2.gz BKSOTQWARFWWAB-SNVBAGLBSA-N -1 3 267.300 1.964 10 10 CDCEHM CCc1nc(CNCc2ccc(F)c(F)c2[O-])n[nH]1 ZINC000703272893 758432872 /nfs/dbraw/zinc/43/28/72/758432872.db2.gz IKIZOFJZWSSJGG-UHFFFAOYSA-N -1 3 268.267 1.641 10 10 CDCEHM [O-]c1ccc(Br)cc1CNC1COC1 ZINC000236615299 363279578 /nfs/dbraw/zinc/27/95/78/363279578.db2.gz CFLCLCUOAUXZRY-UHFFFAOYSA-N -1 3 258.115 1.643 10 10 CDCEHM O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1cccc(O)c1[O-] ZINC000193140302 373682971 /nfs/dbraw/zinc/68/29/71/373682971.db2.gz HCJJWCNBAUDLIC-OCCSQVGLSA-N -1 3 285.299 1.486 10 10 CDCEHM Cc1cc(Br)cc([C@H]([NH3+])C(=O)[O-])c1[O-] ZINC000072196758 176338303 /nfs/dbraw/zinc/33/83/03/176338303.db2.gz LKFNXBUFTNJYQH-ZETCQYMHSA-N -1 3 260.087 1.548 10 10 CDCEHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])CCS1(=O)=O ZINC000180172181 261844678 /nfs/dbraw/zinc/84/46/78/261844678.db2.gz YCKUNHCFPYBMAI-SECBINFHSA-N -1 3 273.329 1.150 10 10 CDCEHM COc1c([O-])c(CN2C[C@H](O)C3(CC3)C2)ccc1[N+](=O)[O-] ZINC000365118226 521873388 /nfs/dbraw/zinc/87/33/88/521873388.db2.gz GXFMLILQJOEVSH-NSHDSACASA-N -1 3 294.307 1.266 10 10 CDCEHM CC[C@@H](NCc1cnn(C)n1)c1ccc(F)cc1[O-] ZINC000806168429 617312158 /nfs/dbraw/zinc/31/21/58/617312158.db2.gz MEAFHUYRWNUCKV-GFCCVEGCSA-N -1 3 264.304 1.901 10 10 CDCEHM O=C(c1c([O-])c(O)ccc1F)N1CC(N2CCCC2)C1 ZINC000898603941 621807679 /nfs/dbraw/zinc/80/76/79/621807679.db2.gz RQNGMNIYUBTABU-UHFFFAOYSA-N -1 3 280.299 1.157 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC(=O)C[C@H]1C1CC1 ZINC000912184449 629836426 /nfs/dbraw/zinc/83/64/26/629836426.db2.gz MXGQOZLXTRJPSO-LBPRGKRZSA-N -1 3 275.304 1.682 10 10 CDCEHM C[C@H]1C[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000914217754 631264622 /nfs/dbraw/zinc/26/46/22/631264622.db2.gz MTFARANXVMGKRH-DTWKUNHWSA-N -1 3 252.289 1.987 10 10 CDCEHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccn(C)n1 ZINC001626192356 1163969499 /nfs/dbraw/zinc/96/94/99/1163969499.db2.gz IENCCTZENFBYJJ-QMMMGPOBSA-N -1 3 261.281 1.322 10 10 CDCEHM O=C(Nc1nccn1C1CC1)c1cccc(O)c1[O-] ZINC001626332951 1165932087 /nfs/dbraw/zinc/93/20/87/1165932087.db2.gz PFMMMEPNWCUVEB-UHFFFAOYSA-N -1 3 259.265 1.882 10 10 CDCEHM CN(C)C(=O)C1(NCc2c([O-])ccc(Cl)c2F)CC1 ZINC000840959547 768837190 /nfs/dbraw/zinc/83/71/90/768837190.db2.gz YLWUZVGLRXHOJQ-UHFFFAOYSA-N -1 3 286.734 1.895 10 10 CDCEHM Cc1cc([O-])c(CNCc2cnn(C)n2)cc1Cl ZINC000825900242 769326469 /nfs/dbraw/zinc/32/64/69/769326469.db2.gz ITLUYHVTSGRLFT-UHFFFAOYSA-N -1 3 266.732 1.772 10 10 CDCEHM C[C@@H](N[C@H]1CCNC1=O)c1cc(F)cc(F)c1[O-] ZINC000850480416 770256486 /nfs/dbraw/zinc/25/64/86/770256486.db2.gz AIAZQCJCVMKJCF-LDWIPMOCSA-N -1 3 256.252 1.210 10 10 CDCEHM Cc1ccsc1[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000790917371 771437515 /nfs/dbraw/zinc/43/75/15/771437515.db2.gz SOYLKVBWSSADJY-JTQLQIEISA-N -1 3 293.344 1.931 10 10 CDCEHM O=C(NCC[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000126351750 772082689 /nfs/dbraw/zinc/08/26/89/772082689.db2.gz IKKDUHGDTVIPTK-SECBINFHSA-N -1 3 251.282 1.397 10 10 CDCEHM Cc1cc([O-])c(CN2CCOC[C@@H](O)C2)c(Cl)c1 ZINC000840951319 772409861 /nfs/dbraw/zinc/40/98/61/772409861.db2.gz VAQDHFCVNXGYTJ-JTQLQIEISA-N -1 3 271.744 1.547 10 10 CDCEHM O=C(CCn1ccccc1=O)NCc1c([O-])cccc1F ZINC001178409770 915429465 /nfs/dbraw/zinc/42/94/65/915429465.db2.gz IJZVEZOBLLSGPB-UHFFFAOYSA-N -1 3 290.294 1.400 10 10 CDCEHM O=Cc1cc(C(=O)NCc2c([O-])cccc2F)co1 ZINC001456027081 968851415 /nfs/dbraw/zinc/85/14/15/968851415.db2.gz CNKFXQDAPOLYTB-UHFFFAOYSA-N -1 3 263.224 1.867 10 10 CDCEHM CC[C@@](C)(NC(=O)c1cccc(O)c1[O-])C(=O)OC ZINC001546253128 972971960 /nfs/dbraw/zinc/97/19/60/972971960.db2.gz NJYWMIDBQOKNKO-CYBMUJFWSA-N -1 3 267.281 1.169 10 10 CDCEHM CCNC(=O)[C@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000293762168 370785624 /nfs/dbraw/zinc/78/56/24/370785624.db2.gz ZCZQMYNTRIUTIK-ZETCQYMHSA-N -1 3 274.723 1.799 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([O-])c1O ZINC000529986593 368104916 /nfs/dbraw/zinc/10/49/16/368104916.db2.gz YFUAKNGWNZKDFB-WDCWCFNPSA-N -1 3 279.336 1.948 10 10 CDCEHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1C ZINC000293865930 378599524 /nfs/dbraw/zinc/59/95/24/378599524.db2.gz AOGWDQKEMAFSFY-IUCAKERBSA-N -1 3 298.364 1.244 10 10 CDCEHM COc1c([O-])c(CN(C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000278219068 391380344 /nfs/dbraw/zinc/38/03/44/391380344.db2.gz LIGRXIAVTRONID-NSHDSACASA-N -1 3 296.323 1.920 10 10 CDCEHM COC(=O)[C@H](CF)NCc1cc(Cl)cc(OC)c1[O-] ZINC000290190943 523901109 /nfs/dbraw/zinc/90/11/09/523901109.db2.gz ORHLOGAXMMRPOT-VIFPVBQESA-N -1 3 291.706 1.655 10 10 CDCEHM Cc1ccc(C(=O)NCC[C@@H]2CCOC2)c([O-])c1O ZINC000753240293 574740174 /nfs/dbraw/zinc/74/01/74/574740174.db2.gz OYTMYHJJWTZQHG-SNVBAGLBSA-N -1 3 265.309 1.563 10 10 CDCEHM O=S1(=O)CC(C2CN(Cc3cc(F)ccc3[O-])C2)C1 ZINC000895427346 619653984 /nfs/dbraw/zinc/65/39/84/619653984.db2.gz GDJAQWJYOPYUCH-UHFFFAOYSA-N -1 3 285.340 1.008 10 10 CDCEHM Cn1ccc(CNC(=O)NCc2c([O-])cccc2F)n1 ZINC001633886569 1166456591 /nfs/dbraw/zinc/45/65/91/1166456591.db2.gz GLXQPVTZQKOMKO-UHFFFAOYSA-N -1 3 278.287 1.264 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1c2ccccc2C[C@@H]1CO ZINC001641154708 1167081956 /nfs/dbraw/zinc/08/19/56/1167081956.db2.gz HOUVJALMMSSOQV-LLVKDONJSA-N -1 3 285.299 1.662 10 10 CDCEHM CN(C[C@H](O)c1cccnc1)C(=O)c1cccc(O)c1[O-] ZINC001653447492 1171545339 /nfs/dbraw/zinc/54/53/39/1171545339.db2.gz JYLRXJDWBQWRSY-ZDUSSCGKSA-N -1 3 288.303 1.298 10 10 CDCEHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])c2ncnn21 ZINC000855328814 773806828 /nfs/dbraw/zinc/80/68/28/773806828.db2.gz XVXSRGGIOUOHNZ-APPZFPTMSA-N -1 3 274.280 1.125 10 10 CDCEHM O=S(=O)(CCCCF)NCc1c([O-])cccc1F ZINC000921452268 774321334 /nfs/dbraw/zinc/32/13/34/774321334.db2.gz JVATWYIVCNJEGJ-UHFFFAOYSA-N -1 3 279.308 1.700 10 10 CDCEHM CC(C)CCS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452669 776397852 /nfs/dbraw/zinc/39/78/52/776397852.db2.gz VYTVALZHYLZGTA-UHFFFAOYSA-N -1 3 275.345 1.997 10 10 CDCEHM CCn1cc(CNC(=O)NCc2c([O-])cccc2F)nn1 ZINC000923258019 777172678 /nfs/dbraw/zinc/17/26/78/777172678.db2.gz DHKRGMUQFFQJAO-UHFFFAOYSA-N -1 3 293.302 1.142 10 10 CDCEHM CO[C@H](C(=O)NCc1c([O-])cccc1F)C(C)C ZINC000928708356 777566326 /nfs/dbraw/zinc/56/63/26/777566326.db2.gz KBQFDGPUPIWHBF-LBPRGKRZSA-N -1 3 255.289 1.819 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnn(C2CC2)c1 ZINC000928710828 777659154 /nfs/dbraw/zinc/65/91/54/777659154.db2.gz KRCTUVFYFRUUGI-UHFFFAOYSA-N -1 3 275.283 1.993 10 10 CDCEHM O=C(CCN1CCCC1=O)NCc1c([O-])cccc1F ZINC000928712318 777823336 /nfs/dbraw/zinc/82/33/36/777823336.db2.gz QXJYLWQMJCLMFV-UHFFFAOYSA-N -1 3 280.299 1.160 10 10 CDCEHM O=S1(=O)CCN(Cc2cc(F)ccc2[O-])[C@@H]2CCC[C@H]21 ZINC000825201712 778928797 /nfs/dbraw/zinc/92/87/97/778928797.db2.gz NBMCHQYQZLIGEC-TZMCWYRMSA-N -1 3 299.367 1.683 10 10 CDCEHM O=C(/C=C/[C@@H]1CCCO1)NCc1c([O-])cccc1F ZINC000928705284 779205717 /nfs/dbraw/zinc/20/57/17/779205717.db2.gz FUWYCNWJNNDDBA-FGEFZZPRSA-N -1 3 265.284 1.883 10 10 CDCEHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@@H](CO)C2)c(Cl)c1 ZINC000840941858 779442251 /nfs/dbraw/zinc/44/22/51/779442251.db2.gz OEWVVFOVRMDZGD-GHMZBOCLSA-N -1 3 285.771 1.936 10 10 CDCEHM O=C(NCC[C@@H]1CC1(F)F)c1cccc(O)c1[O-] ZINC000701931653 779808792 /nfs/dbraw/zinc/80/87/92/779808792.db2.gz LSFNQFNEKGXVGP-SSDOTTSWSA-N -1 3 257.236 1.873 10 10 CDCEHM CNc1ncccc1C(=O)NCc1c([O-])cccc1F ZINC001635366766 1166581275 /nfs/dbraw/zinc/58/12/75/1166581275.db2.gz LATGOTGIUZNHGC-UHFFFAOYSA-N -1 3 275.283 1.898 10 10 CDCEHM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cccc(O)c1[O-] ZINC000395067560 936691062 /nfs/dbraw/zinc/69/10/62/936691062.db2.gz BVFZVVKVWMLRFA-MWLCHTKSSA-N -1 3 265.309 1.331 10 10 CDCEHM C[C@@H](CC(=O)NCc1c([O-])cccc1F)n1cccn1 ZINC000928705975 933173516 /nfs/dbraw/zinc/17/35/16/933173516.db2.gz NAMZHYHTJIANFC-JTQLQIEISA-N -1 3 277.299 1.995 10 10 CDCEHM Cc1nc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)no1 ZINC001478762413 971243639 /nfs/dbraw/zinc/24/36/39/971243639.db2.gz TZGWMMGYQSWEFN-SSDOTTSWSA-N -1 3 294.286 1.783 10 10 CDCEHM C[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1O ZINC001302537925 956018012 /nfs/dbraw/zinc/01/80/12/956018012.db2.gz AMLBKDOSNRHBCF-VIFPVBQESA-N -1 3 258.277 1.984 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1Cc2cccnc2C1 ZINC001347389417 965502353 /nfs/dbraw/zinc/50/23/53/965502353.db2.gz FTTWSDQCHYAJAN-LLVKDONJSA-N -1 3 286.306 1.958 10 10 CDCEHM Cc1ccc(C(=O)N(C)[C@@H](CO)CC(C)C)c([O-])c1O ZINC000186644402 262103619 /nfs/dbraw/zinc/10/36/19/262103619.db2.gz VHGXJZWGYIOHSL-LLVKDONJSA-N -1 3 281.352 1.885 10 10 CDCEHM C[C@H]1CN(Cc2cc(F)ccc2[O-])CC(=O)N1C ZINC000282814776 263078966 /nfs/dbraw/zinc/07/89/66/263078966.db2.gz SWNMEXXBSVYNNR-VIFPVBQESA-N -1 3 252.289 1.194 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000765417945 576019238 /nfs/dbraw/zinc/01/92/38/576019238.db2.gz LBVWDYJFYBWGEF-KOLCDFICSA-N -1 3 294.376 1.585 10 10 CDCEHM CCC1(C(=O)NCc2c([O-])cccc2F)COC1 ZINC000928705460 620503492 /nfs/dbraw/zinc/50/34/92/620503492.db2.gz KIAYARXLHBSHSO-UHFFFAOYSA-N -1 3 253.273 1.574 10 10 CDCEHM Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928705367 620504050 /nfs/dbraw/zinc/50/40/50/620504050.db2.gz HRXPMFCSAQRCCZ-NXEZZACHSA-N -1 3 289.310 1.685 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC(=O)C[C@@H]1C1CC1 ZINC000912184448 629836169 /nfs/dbraw/zinc/83/61/69/629836169.db2.gz MXGQOZLXTRJPSO-GFCCVEGCSA-N -1 3 275.304 1.682 10 10 CDCEHM O=C(C1CC1)[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000811502161 1163494028 /nfs/dbraw/zinc/49/40/28/1163494028.db2.gz LWHBMGXACVHPTH-AWEZNQCLSA-N -1 3 279.311 1.711 10 10 CDCEHM O=C(Nc1cccc2nonc21)c1cccc(O)c1[O-] ZINC001636279198 1166666482 /nfs/dbraw/zinc/66/64/82/1166666482.db2.gz FSOPNDOXGXBNJA-UHFFFAOYSA-N -1 3 271.232 1.886 10 10 CDCEHM Cc1ccc(C(N)=O)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001570910737 1170317798 /nfs/dbraw/zinc/31/77/98/1170317798.db2.gz QSRQWATVQCWHOM-UHFFFAOYSA-N -1 3 286.287 1.757 10 10 CDCEHM O=C(Nc1n[nH]cc1C1CC1)c1cccc(O)c1[O-] ZINC001651090829 1171287939 /nfs/dbraw/zinc/28/79/39/1171287939.db2.gz BWDMFTNAQRKWJF-UHFFFAOYSA-N -1 3 259.265 1.951 10 10 CDCEHM CSc1nccnc1C(=O)NCc1c([O-])cccc1F ZINC001652298243 1171419754 /nfs/dbraw/zinc/41/97/54/1171419754.db2.gz GYFOQUNPDGYOHD-UHFFFAOYSA-N -1 3 293.323 1.973 10 10 CDCEHM C[C@H](O)[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000840978109 782778587 /nfs/dbraw/zinc/77/85/87/782778587.db2.gz LBWFLKWTSAZNDP-TVQRCGJNSA-N -1 3 255.289 1.113 10 10 CDCEHM CN1CC2(CN(Cc3cc(Cl)ccc3[O-])C2)OC1=O ZINC000817413763 782877117 /nfs/dbraw/zinc/87/71/17/782877117.db2.gz GPDYKBISJPCGSK-UHFFFAOYSA-N -1 3 282.727 1.682 10 10 CDCEHM C[C@@H]1C[C@@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000792534434 780368300 /nfs/dbraw/zinc/36/83/00/780368300.db2.gz RHIYSAYLWBSYCH-RKDXNWHRSA-N -1 3 298.364 1.387 10 10 CDCEHM CC[C@H](C(=O)NCc1c([O-])cccc1F)C(=O)OC ZINC000928707406 781110392 /nfs/dbraw/zinc/11/03/92/781110392.db2.gz DHRGMZDBNYSVEY-MRVPVSSYSA-N -1 3 269.272 1.347 10 10 CDCEHM CC[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000817644477 783277974 /nfs/dbraw/zinc/27/79/74/783277974.db2.gz WGUMMCJHDHMDOK-VHSXEESVSA-N -1 3 265.309 1.785 10 10 CDCEHM Cc1nnccc1C(=O)NCc1c([O-])cccc1F ZINC001638863701 1166881142 /nfs/dbraw/zinc/88/11/42/1166881142.db2.gz QOCWEUSRPIWWEO-UHFFFAOYSA-N -1 3 261.256 1.560 10 10 CDCEHM C[C@H](O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001168136000 907359397 /nfs/dbraw/zinc/35/93/97/907359397.db2.gz RBNDUVFBRPUGDC-IINYFYTJSA-N -1 3 287.315 1.950 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)NCc1ccc([O-])c(F)c1 ZINC001137441966 936598595 /nfs/dbraw/zinc/59/85/95/936598595.db2.gz QLSCDVFCGVDYGA-UHFFFAOYSA-N -1 3 291.278 1.801 10 10 CDCEHM CC(C)COC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148282647 932691216 /nfs/dbraw/zinc/69/12/16/932691216.db2.gz VXGZLWDRWAOCLI-UHFFFAOYSA-N -1 3 265.309 1.595 10 10 CDCEHM C[C@@H](C(=O)NCc1c([O-])cccc1F)c1cnn(C)c1 ZINC000928706259 933174560 /nfs/dbraw/zinc/17/45/60/933174560.db2.gz TYZVIFXCUOIKIS-SECBINFHSA-N -1 3 277.299 1.685 10 10 CDCEHM Cc1ncc(CNC(=O)NCc2c([O-])cccc2F)o1 ZINC001251792477 950826701 /nfs/dbraw/zinc/82/67/01/950826701.db2.gz QOLQORPYLPIVKY-UHFFFAOYSA-N -1 3 279.271 1.827 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298317917 955171338 /nfs/dbraw/zinc/17/13/38/955171338.db2.gz FHTOFSYGHZIWIX-UHFFFAOYSA-N -1 3 299.286 1.861 10 10 CDCEHM Cc1c[nH]cc(C(=O)NCc2c([O-])cccc2F)c1=O ZINC001458025665 969248114 /nfs/dbraw/zinc/24/81/14/969248114.db2.gz KHKQUFRPOUFZLX-UHFFFAOYSA-N -1 3 276.267 1.458 10 10 CDCEHM Cc1cc(NCc2c([O-])cccc2F)nc(CO)n1 ZINC001458618541 969321060 /nfs/dbraw/zinc/32/10/60/969321060.db2.gz NCAVKYRXRJTIKJ-UHFFFAOYSA-N -1 3 263.272 1.734 10 10 CDCEHM Cn1nc(C(=O)NCc2c([O-])cccc2F)cc1Cl ZINC001471976067 970527128 /nfs/dbraw/zinc/52/71/28/970527128.db2.gz QIHBONSHLWUPOQ-UHFFFAOYSA-N -1 3 283.690 1.848 10 10 CDCEHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)C[C@@H]2CO)c1[O-] ZINC000185176083 357518426 /nfs/dbraw/zinc/51/84/26/357518426.db2.gz IIFKKOIMKRCMHG-NEPJUHHUSA-N -1 3 299.754 1.176 10 10 CDCEHM CN(C[C@@H]1CCCO1)C(=O)c1cccc(O)c1[O-] ZINC000126285629 390920571 /nfs/dbraw/zinc/92/05/71/390920571.db2.gz IQZSPAFZXOFRHH-VIFPVBQESA-N -1 3 251.282 1.349 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)c([O-])c1O ZINC000189359837 329380132 /nfs/dbraw/zinc/38/01/32/329380132.db2.gz KGVQIOLDKXQOEE-JLLWLGSASA-N -1 3 277.320 1.704 10 10 CDCEHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H]2C[C@@]2(O)C1 ZINC000895652985 619790037 /nfs/dbraw/zinc/79/00/37/619790037.db2.gz KLUKPIZYZDONDB-JMCQJSRRSA-N -1 3 257.692 1.751 10 10 CDCEHM COC(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC000920660248 632815873 /nfs/dbraw/zinc/81/58/73/632815873.db2.gz SLORVVLBRMLNLT-UHFFFAOYSA-N -1 3 270.304 1.756 10 10 CDCEHM C[C@@H](CO)CCCNC(=O)NCc1c([O-])cccc1F ZINC000921677710 633154964 /nfs/dbraw/zinc/15/49/64/633154964.db2.gz UOICFIHFPYOXMB-SNVBAGLBSA-N -1 3 284.331 1.739 10 10 CDCEHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCCN(C)C1=O ZINC000870603017 1165193721 /nfs/dbraw/zinc/19/37/21/1165193721.db2.gz BXZQFCZIBCIILD-LLVKDONJSA-N -1 3 292.335 1.181 10 10 CDCEHM Cc1nccnc1C(=O)NCc1c([O-])cccc1F ZINC001646034130 1167618217 /nfs/dbraw/zinc/61/82/17/1167618217.db2.gz HGVOEEUCFHHNNU-UHFFFAOYSA-N -1 3 261.256 1.560 10 10 CDCEHM C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC001570801594 1170282120 /nfs/dbraw/zinc/28/21/20/1170282120.db2.gz AWGWZMBEIXRCIK-UTLUCORTSA-N -1 3 292.335 1.212 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)O[C@@H]1CCOC1 ZINC000921451813 914934853 /nfs/dbraw/zinc/93/48/53/914934853.db2.gz WPEHZRAJORCLIX-MRVPVSSYSA-N -1 3 255.245 1.546 10 10 CDCEHM C[C@@H]1CC[C@@H](O)CN1C(=O)c1cccc(O)c1[O-] ZINC000399273429 936714159 /nfs/dbraw/zinc/71/41/59/936714159.db2.gz XGGQLYHCXXIMNU-RKDXNWHRSA-N -1 3 251.282 1.083 10 10 CDCEHM C[C@H](C[S@@](C)=O)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000703541757 922738019 /nfs/dbraw/zinc/73/80/19/922738019.db2.gz PHMQTIOODSHXNY-NTCNTBNZSA-N -1 3 277.336 1.869 10 10 CDCEHM COC(=O)N(C)CCN(C)Cc1cc(F)cc(F)c1[O-] ZINC000708440443 923193358 /nfs/dbraw/zinc/19/33/58/923193358.db2.gz BDKNPKFYWNYISD-UHFFFAOYSA-N -1 3 288.294 1.800 10 10 CDCEHM COCC1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000691842208 929243039 /nfs/dbraw/zinc/24/30/39/929243039.db2.gz BTGFRJHXUHSGQT-UHFFFAOYSA-N -1 3 251.282 1.254 10 10 CDCEHM CC(=O)c1cc(Cl)cc(CN2C[C@H]3C[C@@]3(O)C2)c1[O-] ZINC000880417430 929671443 /nfs/dbraw/zinc/67/14/43/929671443.db2.gz NCHICHLKEMHVSP-QMTHXVAHSA-N -1 3 281.739 1.815 10 10 CDCEHM Cc1nc(CNC(=O)c2cccc(O)c2[O-])[nH]c1C ZINC001137260394 931396885 /nfs/dbraw/zinc/39/68/85/931396885.db2.gz FHBNWTTUZUKUHD-UHFFFAOYSA-N -1 3 261.281 1.368 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@@]2(CCSC2)C1 ZINC000843945811 931518377 /nfs/dbraw/zinc/51/83/77/931518377.db2.gz KBVYTJICCLLKPV-AWEZNQCLSA-N -1 3 295.360 1.446 10 10 CDCEHM CCO[C@@H]1C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711605 933174575 /nfs/dbraw/zinc/17/45/75/933174575.db2.gz JTKPAJWGBYPEGA-PRHODGIISA-N -1 3 253.273 1.573 10 10 CDCEHM Cc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C)c([O-])c1O ZINC000296971909 200050723 /nfs/dbraw/zinc/05/07/23/200050723.db2.gz PZIVKTPBAIHYAL-ONGXEEELSA-N -1 3 265.309 1.392 10 10 CDCEHM Cc1ccc(C(=O)N2C[C@@H](O)C3(CC3)C2)c([O-])c1O ZINC000364446012 292067433 /nfs/dbraw/zinc/06/74/33/292067433.db2.gz DGWAOJVYFLEGID-SNVBAGLBSA-N -1 3 263.293 1.003 10 10 CDCEHM CC(C)N(C(=O)c1cccc(O)c1[O-])[C@@H]1CCOC1 ZINC000292749971 519580633 /nfs/dbraw/zinc/58/06/33/519580633.db2.gz HOJOYAJJJYWGOF-SNVBAGLBSA-N -1 3 265.309 1.737 10 10 CDCEHM CN(C)c1nc(COC(=O)c2cc([O-])cs2)ns1 ZINC000771363505 575570681 /nfs/dbraw/zinc/57/06/81/575570681.db2.gz YSRKZIUBFOPJSR-UHFFFAOYSA-N -1 3 285.350 1.728 10 10 CDCEHM C[C@H](C(=O)NCc1c([O-])cccc1F)[C@@H]1CCC(=O)N1 ZINC000928706632 620505090 /nfs/dbraw/zinc/50/50/90/620505090.db2.gz SPCWNKYOZZOAMW-KWQFWETISA-N -1 3 280.299 1.062 10 10 CDCEHM CC(=O)C(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000808533730 1162873356 /nfs/dbraw/zinc/87/33/56/1162873356.db2.gz YQTAVBZVERHKQO-UHFFFAOYSA-N -1 3 256.641 1.361 10 10 CDCEHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1csnn1 ZINC000398364092 1160104278 /nfs/dbraw/zinc/10/42/78/1160104278.db2.gz NBJJWOZTIRTCLW-ZCFIWIBFSA-N -1 3 265.294 1.440 10 10 CDCEHM COC(=O)c1coc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001635361010 1166581159 /nfs/dbraw/zinc/58/11/59/1166581159.db2.gz WILVNIHRYMDQRA-UHFFFAOYSA-N -1 3 293.250 1.841 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1nccs1 ZINC001638864378 1166880967 /nfs/dbraw/zinc/88/09/67/1166880967.db2.gz YOMKBKVRJRFQBN-UHFFFAOYSA-N -1 3 252.270 1.918 10 10 CDCEHM [O-]c1cccc(F)c1CNc1nccn2cnnc12 ZINC001643209773 1167234257 /nfs/dbraw/zinc/23/42/57/1167234257.db2.gz FVJLWRZPGFADGV-UHFFFAOYSA-N -1 3 259.244 1.581 10 10 CDCEHM C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC001570801593 1170282268 /nfs/dbraw/zinc/28/22/68/1170282268.db2.gz AWGWZMBEIXRCIK-OPRDCNLKSA-N -1 3 292.335 1.212 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](CCF)C1 ZINC000700576788 784926152 /nfs/dbraw/zinc/92/61/52/784926152.db2.gz NAIINFCEQWTTFC-VIFPVBQESA-N -1 3 269.272 1.298 10 10 CDCEHM Cc1cc([O-])c(CN2CCOC[C@H](O)C2)c(Cl)c1 ZINC000840951321 785523097 /nfs/dbraw/zinc/52/30/97/785523097.db2.gz VAQDHFCVNXGYTJ-SNVBAGLBSA-N -1 3 271.744 1.547 10 10 CDCEHM Cc1cc([O-])c(CN2CCO[C@@H]([C@@H](C)O)C2)cc1Cl ZINC000826123436 785819278 /nfs/dbraw/zinc/81/92/78/785819278.db2.gz NPSMIETZGGRGNT-QMTHXVAHSA-N -1 3 285.771 1.936 10 10 CDCEHM CC(=O)NCCCCCC(=O)NCc1c([O-])cccc1F ZINC000928712282 787393537 /nfs/dbraw/zinc/39/35/37/787393537.db2.gz QCXRYYMQNPAHFA-UHFFFAOYSA-N -1 3 296.342 1.844 10 10 CDCEHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)O1 ZINC000395016785 788393158 /nfs/dbraw/zinc/39/31/58/788393158.db2.gz LVTWKIIAHVMNMJ-WEDXCCLWSA-N -1 3 251.282 1.394 10 10 CDCEHM CCCc1ncc(CNC(=O)c2cccc(O)c2[O-])o1 ZINC000836994385 789806726 /nfs/dbraw/zinc/80/67/26/789806726.db2.gz NXFHVTXQYYXSRW-UHFFFAOYSA-N -1 3 276.292 1.968 10 10 CDCEHM Cc1[nH]c(=O)ccc1C(=O)NCc1c([O-])cccc1F ZINC001178412993 915428873 /nfs/dbraw/zinc/42/88/73/915428873.db2.gz JTPORTXOYGNFHU-UHFFFAOYSA-N -1 3 276.267 1.870 10 10 CDCEHM COc1ccc(C(=O)NCc2cccc(O)c2O)c([O-])c1 ZINC001303194131 956061054 /nfs/dbraw/zinc/06/10/54/956061054.db2.gz YKZFENAEKCZKCQ-UHFFFAOYSA-N -1 3 289.287 1.742 10 10 CDCEHM Cc1conc1C(=O)NCc1c([O-])cccc1F ZINC001456029999 968851012 /nfs/dbraw/zinc/85/10/12/968851012.db2.gz PKZFOGDZPPTPTL-UHFFFAOYSA-N -1 3 250.229 1.758 10 10 CDCEHM O=C(NCC[C@@H]1CCCC[C@@H]1O)c1cccc(O)c1[O-] ZINC001472156335 970590688 /nfs/dbraw/zinc/59/06/88/970590688.db2.gz UFIHPKJGTJWAME-JQWIXIFHSA-N -1 3 279.336 1.769 10 10 CDCEHM O=C1Cc2cc([O-])c3c(c2O1)C(=O)c1ccccc1C3=O ZINC000584591816 346495159 /nfs/dbraw/zinc/49/51/59/346495159.db2.gz NVLGXQJEVYWZEC-UHFFFAOYSA-N -1 3 280.235 1.629 10 10 CDCEHM [O-]c1ccc(F)cc1CN1CC(F)(F)C[C@@H]1CO ZINC000364647826 358462523 /nfs/dbraw/zinc/46/25/23/358462523.db2.gz AKZITGPDQVYZOB-SNVBAGLBSA-N -1 3 261.243 1.733 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2C[C@H](O)C3(CC3)C2)c1[O-] ZINC000375309040 370805956 /nfs/dbraw/zinc/80/59/56/370805956.db2.gz MNQYZKXBZBKXSS-ZDUSSCGKSA-N -1 3 279.311 1.691 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2CCOC2(C)C)c([O-])c1O ZINC000295770936 371448100 /nfs/dbraw/zinc/44/81/00/371448100.db2.gz COSZWRUVDGFQAQ-JTQLQIEISA-N -1 3 265.309 1.704 10 10 CDCEHM Cc1ccc(C(=O)N(C)[C@H](CO)CC(C)C)c([O-])c1O ZINC000186644382 262103168 /nfs/dbraw/zinc/10/31/68/262103168.db2.gz VHGXJZWGYIOHSL-NSHDSACASA-N -1 3 281.352 1.885 10 10 CDCEHM COCCC1(C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000291156430 523026424 /nfs/dbraw/zinc/02/64/24/523026424.db2.gz HKPKJZZXVOSSKV-UHFFFAOYSA-N -1 3 265.309 1.596 10 10 CDCEHM Cc1cc(C[C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])n[nH]1 ZINC000276530124 524837541 /nfs/dbraw/zinc/83/75/41/524837541.db2.gz HKFZHRUKYAIVGQ-ZETCQYMHSA-N -1 3 293.298 1.629 10 10 CDCEHM CN(C)C(=O)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732257586 575086031 /nfs/dbraw/zinc/08/60/31/575086031.db2.gz ULGAEYFPBPHFSJ-UHFFFAOYSA-N -1 3 282.365 1.394 10 10 CDCEHM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H]2C[C@]2(O)C1 ZINC000895652198 619788368 /nfs/dbraw/zinc/78/83/68/619788368.db2.gz GDYQWKSSLMYZKD-UFBFGSQYSA-N -1 3 257.692 1.751 10 10 CDCEHM Cc1nccn1CC(=O)NCc1c([O-])cccc1F ZINC001635366570 1166582120 /nfs/dbraw/zinc/58/21/20/1166582120.db2.gz BLOHSZBKKTXBPO-UHFFFAOYSA-N -1 3 263.272 1.353 10 10 CDCEHM Cc1nnc([C@H](C)NCc2cccc(F)c2[O-])[nH]1 ZINC000392471676 1187281849 /nfs/dbraw/zinc/28/18/49/1187281849.db2.gz UHWZAVYRNRXUNM-ZETCQYMHSA-N -1 3 250.277 1.809 10 10 CDCEHM COCC[C@H](C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452055 791096273 /nfs/dbraw/zinc/09/62/73/791096273.db2.gz BPVHEIZCHLMERF-VIFPVBQESA-N -1 3 291.344 1.376 10 10 CDCEHM CC1(S(=O)(=O)NCc2c([O-])cccc2F)CC1 ZINC000921452795 791709856 /nfs/dbraw/zinc/70/98/56/791709856.db2.gz ZVWSGCMGPYRZKT-UHFFFAOYSA-N -1 3 259.302 1.503 10 10 CDCEHM O=C(/C=C/[C@H]1CCCO1)NCc1c([O-])cccc1F ZINC000928705289 791969479 /nfs/dbraw/zinc/96/94/79/791969479.db2.gz FUWYCNWJNNDDBA-VQCYPWCPSA-N -1 3 265.284 1.883 10 10 CDCEHM C[C@@H]1CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000922824094 792832220 /nfs/dbraw/zinc/83/22/20/792832220.db2.gz YDQKUKCPCNOELC-ZJUUUORDSA-N -1 3 282.315 1.898 10 10 CDCEHM C[C@H](C[S@](C)=O)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000703541755 794798732 /nfs/dbraw/zinc/79/87/32/794798732.db2.gz PHMQTIOODSHXNY-CVJBHZAOSA-N -1 3 277.336 1.869 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCn2ccnc21 ZINC000922655131 794848304 /nfs/dbraw/zinc/84/83/04/794848304.db2.gz MGMTVVLPAXRNRI-NSHDSACASA-N -1 3 290.298 1.672 10 10 CDCEHM CO[C@@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000923254547 795260476 /nfs/dbraw/zinc/26/04/76/795260476.db2.gz BIPYGIOASIITMP-QMMMGPOBSA-N -1 3 256.277 1.365 10 10 CDCEHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])c1ccnn1C ZINC000843429804 937149344 /nfs/dbraw/zinc/14/93/44/937149344.db2.gz IBTYRIMMAZUQEE-ZDUSSCGKSA-N -1 3 293.298 1.269 10 10 CDCEHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NCc1c([O-])cccc1F ZINC001471975644 970527015 /nfs/dbraw/zinc/52/70/15/970527015.db2.gz BGXDHTUBXNRLGO-NSHDSACASA-N -1 3 297.330 1.231 10 10 CDCEHM O=C(CCc1ncc[nH]1)NCc1c([O-])cccc1F ZINC001652298941 1171420725 /nfs/dbraw/zinc/42/07/25/1171420725.db2.gz VWUMGMIXQWAZPO-UHFFFAOYSA-N -1 3 263.272 1.503 10 10 CDCEHM [O-]c1ccc(F)cc1CN1CCN2CCOC[C@H]2C1 ZINC000375237242 370798131 /nfs/dbraw/zinc/79/81/31/370798131.db2.gz MXLJHBSSIWGEQB-CYBMUJFWSA-N -1 3 266.316 1.048 10 10 CDCEHM CN1CCO[C@@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000190960418 329403572 /nfs/dbraw/zinc/40/35/72/329403572.db2.gz ICZLDLACIILEHE-VIFPVBQESA-N -1 3 288.750 1.605 10 10 CDCEHM O=C(N[C@H]1CCO[C@H]1C1CC1)c1cccc(O)c1[O-] ZINC000229416902 333304881 /nfs/dbraw/zinc/30/48/81/333304881.db2.gz REVMKEFHJHHDQJ-GWCFXTLKSA-N -1 3 263.293 1.395 10 10 CDCEHM C[C@H]1CCCCN1CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276591406 526249956 /nfs/dbraw/zinc/24/99/56/526249956.db2.gz QDFOVPHBINUUAK-JTQLQIEISA-N -1 3 296.342 1.841 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CCN(C2CC2)CC1 ZINC000732278394 575084675 /nfs/dbraw/zinc/08/46/75/575084675.db2.gz KWKHZBVYJYMJEK-UHFFFAOYSA-N -1 3 252.339 1.374 10 10 CDCEHM C[C@H](N[C@H]1CCCNC1=O)c1cc(F)cc(F)c1[O-] ZINC000756511676 576992921 /nfs/dbraw/zinc/99/29/21/576992921.db2.gz ZNJRJXFWCURGQA-CPCISQLKSA-N -1 3 270.279 1.600 10 10 CDCEHM CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1c(F)ccc(O)c1[O-] ZINC000900042781 622666170 /nfs/dbraw/zinc/66/61/70/622666170.db2.gz ISRSWPPHJIPAJK-VHSXEESVSA-N -1 3 294.326 1.546 10 10 CDCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CCOC1 ZINC000920474018 632793617 /nfs/dbraw/zinc/79/36/17/632793617.db2.gz WMXUJRFYMHCHEB-ZJUUUORDSA-N -1 3 282.315 1.756 10 10 CDCEHM CCn1nccc1CNC(=O)c1cccc(O)c1[O-] ZINC001629799627 1166165402 /nfs/dbraw/zinc/16/54/02/1166165402.db2.gz XQLOZTIRHBOMSW-UHFFFAOYSA-N -1 3 261.281 1.244 10 10 CDCEHM O=C(Nc1ccc2nncn2c1)c1cccc(O)c1[O-] ZINC001597375333 1174272009 /nfs/dbraw/zinc/27/20/09/1174272009.db2.gz VPZACJXCZWNTFA-UHFFFAOYSA-N -1 3 270.248 1.393 10 10 CDCEHM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000776355876 798054215 /nfs/dbraw/zinc/05/42/15/798054215.db2.gz POMKHJQPWHKIML-ONGXEEELSA-N -1 3 292.335 1.262 10 10 CDCEHM CC1(C)OCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000693135554 895168845 /nfs/dbraw/zinc/16/88/45/895168845.db2.gz SGYWNXXFROEQDZ-VIFPVBQESA-N -1 3 265.309 1.643 10 10 CDCEHM CCCCN(C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452745 914935350 /nfs/dbraw/zinc/93/53/50/914935350.db2.gz YBNOZZIUGLLQPY-UHFFFAOYSA-N -1 3 290.360 1.598 10 10 CDCEHM Cc1cccc(CONC(=O)c2cccc(O)c2[O-])n1 ZINC001168633411 919758902 /nfs/dbraw/zinc/75/89/02/919758902.db2.gz COEZRIQLJPGPFF-UHFFFAOYSA-N -1 3 274.276 1.663 10 10 CDCEHM CCn1nccc1CNC(=O)NCc1c([O-])cccc1F ZINC000923355639 923774764 /nfs/dbraw/zinc/77/47/64/923774764.db2.gz CDFTXWASAWFLRT-UHFFFAOYSA-N -1 3 292.314 1.747 10 10 CDCEHM CC1(C(N)=O)CN(Cc2cccc(Br)c2[O-])C1 ZINC000843415497 937147418 /nfs/dbraw/zinc/14/74/18/937147418.db2.gz HPWXROUIXZGVLY-UHFFFAOYSA-N -1 3 299.168 1.462 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC=C[C@H]2CO)c1[O-] ZINC000880487198 929690574 /nfs/dbraw/zinc/69/05/74/929690574.db2.gz SVOCOGZVERDUHE-LBPRGKRZSA-N -1 3 265.284 1.467 10 10 CDCEHM CCOC(=O)[C@@H](CSC)NC(=O)c1cccc(O)c1[O-] ZINC000928292447 933132193 /nfs/dbraw/zinc/13/21/93/933132193.db2.gz LWIJISIKJSBSSI-SECBINFHSA-N -1 3 299.348 1.122 10 10 CDCEHM O=C(/C=C/[C@@H]1CCOC1)NCc1c([O-])cccc1F ZINC000928706875 933174518 /nfs/dbraw/zinc/17/45/18/933174518.db2.gz YEKQKJQFRIQRMM-ORAHPGNNSA-N -1 3 265.284 1.740 10 10 CDCEHM CO[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCSC1 ZINC000719276368 934847254 /nfs/dbraw/zinc/84/72/54/934847254.db2.gz PRBJECYHRKAHIN-CYBMUJFWSA-N -1 3 283.349 1.350 10 10 CDCEHM CC(C)CONC(=O)NCc1c([O-])cccc1F ZINC001332300273 957509929 /nfs/dbraw/zinc/50/99/29/957509929.db2.gz VPJXUFUFSGENMX-UHFFFAOYSA-N -1 3 256.277 1.918 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2ncon2)C1 ZINC001558450400 965285049 /nfs/dbraw/zinc/28/50/49/965285049.db2.gz RATYDEBWIKIRDW-VIFPVBQESA-N -1 3 289.291 1.501 10 10 CDCEHM CS(=O)(=O)c1ccc(NCc2c([O-])cccc2F)nc1 ZINC001559284415 965425580 /nfs/dbraw/zinc/42/55/80/965425580.db2.gz AUUIRERUNVKUHP-UHFFFAOYSA-N -1 3 296.323 1.942 10 10 CDCEHM Cc1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)c([O-])c1O ZINC000274488190 365686068 /nfs/dbraw/zinc/68/60/68/365686068.db2.gz BHWOEHVQEAHDHW-OAHLLOKOSA-N -1 3 293.319 1.038 10 10 CDCEHM Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2O)c([O-])c1O ZINC000271247339 364977776 /nfs/dbraw/zinc/97/77/76/364977776.db2.gz GLAOYWQMMWREHW-KOLCDFICSA-N -1 3 265.309 1.297 10 10 CDCEHM CCO[C@@]1(C)C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000529854970 368095140 /nfs/dbraw/zinc/09/51/40/368095140.db2.gz KOCBALMCKBOVDO-MFKMUULPSA-N -1 3 251.282 1.395 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1Cc2cccnc2C1 ZINC001625888827 1159545425 /nfs/dbraw/zinc/54/54/25/1159545425.db2.gz FIHSYYZVOJQNFI-UHFFFAOYSA-N -1 3 256.261 1.649 10 10 CDCEHM COCCCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000397132010 1159980167 /nfs/dbraw/zinc/98/01/67/1159980167.db2.gz SGNCASXMEPRQHC-UHFFFAOYSA-N -1 3 253.298 1.596 10 10 CDCEHM CN(C)c1ncccc1CNC(=O)c1cc([O-])cs1 ZINC000731869899 575066849 /nfs/dbraw/zinc/06/68/49/575066849.db2.gz QJKSCZHUYXSAKL-UHFFFAOYSA-N -1 3 277.349 1.845 10 10 CDCEHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2cc([O-])cs2)CC1=O ZINC000743772670 576653725 /nfs/dbraw/zinc/65/37/25/576653725.db2.gz QYWYNTZUJIHQFM-MRTMQBJTSA-N -1 3 280.349 1.193 10 10 CDCEHM CCC[C@@H](OC)C(=O)NCc1c([O-])cccc1F ZINC000928706976 620505176 /nfs/dbraw/zinc/50/51/76/620505176.db2.gz YVVHLLHDJNPQSW-GFCCVEGCSA-N -1 3 255.289 1.963 10 10 CDCEHM Nc1c(C(=O)NCc2c([O-])cccc2F)cnn1C1CC1 ZINC000928707691 620505920 /nfs/dbraw/zinc/50/59/20/620505920.db2.gz AQCLPVIXTWJQPL-UHFFFAOYSA-N -1 3 290.298 1.575 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@H]([C@H]2CCCO2)C1 ZINC000899627376 622335114 /nfs/dbraw/zinc/33/51/14/622335114.db2.gz NQMXOXYEBUZUNP-GXFFZTMASA-N -1 3 277.320 1.739 10 10 CDCEHM Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2CO)c([O-])c1O ZINC001641151128 1167080296 /nfs/dbraw/zinc/08/02/96/1167080296.db2.gz KGHYFPWCCFOBFW-GFCCVEGCSA-N -1 3 299.326 1.970 10 10 CDCEHM Cc1cc(CCC(=O)NCc2c([O-])cccc2F)[nH]n1 ZINC001635366654 1166582023 /nfs/dbraw/zinc/58/20/23/1166582023.db2.gz GJHCJGVNNIXXBL-UHFFFAOYSA-N -1 3 277.299 1.812 10 10 CDCEHM CO[C@@]1(CNC(=O)NCc2c([O-])cccc2F)CCOC1 ZINC000921983966 812976473 /nfs/dbraw/zinc/97/64/73/812976473.db2.gz XIGJNWRIOJQDTK-CQSZACIVSA-N -1 3 298.314 1.136 10 10 CDCEHM C[C@]1(C(=O)NCc2c([O-])cccc2F)CCCOC1 ZINC000928708494 813070596 /nfs/dbraw/zinc/07/05/96/813070596.db2.gz MSPMGTULMSEEMK-AWEZNQCLSA-N -1 3 267.300 1.964 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CSC[C@@H]2C1 ZINC000711587351 813739742 /nfs/dbraw/zinc/73/97/42/813739742.db2.gz OGPYPOREHHYJSG-DTORHVGOSA-N -1 3 265.334 1.533 10 10 CDCEHM COC(=O)C[C@@](C)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000871237827 814010921 /nfs/dbraw/zinc/01/09/21/814010921.db2.gz ZFBVUDMGXPOYRJ-OAHLLOKOSA-N -1 3 293.319 1.559 10 10 CDCEHM O=C(NCC1(CF)CCOCC1)c1cccc(O)c1[O-] ZINC000833868619 814126045 /nfs/dbraw/zinc/12/60/45/814126045.db2.gz JTKAYQOZNQKZFJ-UHFFFAOYSA-N -1 3 283.299 1.594 10 10 CDCEHM COC(=O)[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000862486962 814147154 /nfs/dbraw/zinc/14/71/54/814147154.db2.gz LBLIWEINSMWRCQ-RNCFNFMXSA-N -1 3 299.754 1.808 10 10 CDCEHM CN1CC[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928712300 814156411 /nfs/dbraw/zinc/15/64/11/814156411.db2.gz QKNTWCJSHJKMGK-VIFPVBQESA-N -1 3 280.299 1.016 10 10 CDCEHM O=C(CC[C@H]1CCOC1)NCc1c([O-])cccc1F ZINC000928704906 814466251 /nfs/dbraw/zinc/46/62/51/814466251.db2.gz GEFBFQCLSBUFPQ-JTQLQIEISA-N -1 3 267.300 1.964 10 10 CDCEHM O=C(Cc1ccc(O)c(O)c1)[N-]OCC1CCC1 ZINC001645917672 1167566783 /nfs/dbraw/zinc/56/67/83/1167566783.db2.gz CBBSYMKIKHYWIK-UHFFFAOYSA-N -1 3 251.282 1.488 10 10 CDCEHM COc1nc(C(=O)NCc2c([O-])cccc2F)co1 ZINC001646035209 1167617586 /nfs/dbraw/zinc/61/75/86/1167617586.db2.gz RVFFMZDQJVAXNR-UHFFFAOYSA-N -1 3 266.228 1.458 10 10 CDCEHM Cc1ncncc1C(=O)NCc1c([O-])cccc1F ZINC001178410056 915429065 /nfs/dbraw/zinc/42/90/65/915429065.db2.gz KNGZNQOYJBPRDM-UHFFFAOYSA-N -1 3 261.256 1.560 10 10 CDCEHM CC1(C(N)=O)CN(Cc2ccc(Br)cc2[O-])C1 ZINC001328764081 955463684 /nfs/dbraw/zinc/46/36/84/955463684.db2.gz XTZNUDQVHNOLTQ-UHFFFAOYSA-N -1 3 299.168 1.462 10 10 CDCEHM COc1c([O-])c(CN2CC[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC001345228748 964638459 /nfs/dbraw/zinc/63/84/59/964638459.db2.gz HXIQTHXHSHPDSO-CQSZACIVSA-N -1 3 294.307 1.674 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cccc[n+]1[O-] ZINC001471974634 970524102 /nfs/dbraw/zinc/52/41/02/970524102.db2.gz IJZSQPMXQFJKMK-UHFFFAOYSA-N -1 3 262.240 1.095 10 10 CDCEHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(O)c1[O-] ZINC000187172999 357736922 /nfs/dbraw/zinc/73/69/22/357736922.db2.gz CEINNZAUPFMASO-JTQLQIEISA-N -1 3 288.307 1.263 10 10 CDCEHM O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cccc(O)c1[O-] ZINC000366151627 361039483 /nfs/dbraw/zinc/03/94/83/361039483.db2.gz LVGUFGBVONFZDL-MRVPVSSYSA-N -1 3 273.292 1.108 10 10 CDCEHM CN(C(=O)c1cc([O-])cs1)[C@@H]1CCN(C2CC2)C1 ZINC000762562918 576654709 /nfs/dbraw/zinc/65/47/09/576654709.db2.gz QAYRXTSZVVYOGB-SNVBAGLBSA-N -1 3 266.366 1.762 10 10 CDCEHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N1CCC[C@H]1C ZINC000769864404 575392821 /nfs/dbraw/zinc/39/28/21/575392821.db2.gz HGSWIWCUOCPCMU-SECBINFHSA-N -1 3 298.364 1.736 10 10 CDCEHM COC(=O)[C@H](OC(=O)c1cc([O-])cs1)C1CC1 ZINC000772116691 575662684 /nfs/dbraw/zinc/66/26/84/575662684.db2.gz YYLSEIFINSZBOU-SECBINFHSA-N -1 3 256.279 1.562 10 10 CDCEHM Cc1cc(=O)[n-]c(CN(C)Cc2ccccc2O)n1 ZINC000761875106 576601776 /nfs/dbraw/zinc/60/17/76/576601776.db2.gz UVFPLKKUCQXZOL-UHFFFAOYSA-N -1 3 259.309 1.828 10 10 CDCEHM O=C(C[C@H]1CCCC(=O)N1)NCc1c([O-])cccc1F ZINC000928706305 620505106 /nfs/dbraw/zinc/50/51/06/620505106.db2.gz QMVXQSRRKRHEOZ-SECBINFHSA-N -1 3 280.299 1.206 10 10 CDCEHM Cc1nc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])n[nH]1 ZINC001611278643 1165487076 /nfs/dbraw/zinc/48/70/76/1165487076.db2.gz TZOVZOJHJXKAQD-RXMQYKEDSA-N -1 3 280.259 1.154 10 10 CDCEHM CCOC(=O)C1=CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000862878318 818875079 /nfs/dbraw/zinc/87/50/79/818875079.db2.gz JMHVDBQOZZOMHR-JTQLQIEISA-N -1 3 291.303 1.480 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)N[C@H]1CC[C@H](O)CC1 ZINC000921627424 819448738 /nfs/dbraw/zinc/44/87/38/819448738.db2.gz NGLVUTHAVNMMHK-MGCOHNPYSA-N -1 3 282.315 1.634 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1CCC(=O)CC1 ZINC000928706108 819885630 /nfs/dbraw/zinc/88/56/30/819885630.db2.gz QKYOLDVHXUOWMJ-UHFFFAOYSA-N -1 3 265.284 1.907 10 10 CDCEHM COC(=O)[C@@H](CF)NCc1cc(Cl)c(C)cc1[O-] ZINC000825940324 822065923 /nfs/dbraw/zinc/06/59/23/822065923.db2.gz TZZJMBPSSJTJTA-SNVBAGLBSA-N -1 3 275.707 1.955 10 10 CDCEHM COCC1(S(=O)(=O)NCc2c([O-])cccc2F)CC1 ZINC000921452168 914936839 /nfs/dbraw/zinc/93/68/39/914936839.db2.gz GFWXNBYVKVYTQM-UHFFFAOYSA-N -1 3 289.328 1.130 10 10 CDCEHM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1cccc(O)c1[O-] ZINC000691425818 928415676 /nfs/dbraw/zinc/41/56/76/928415676.db2.gz FNFOPPYKEYWYAS-JOYOIKCWSA-N -1 3 263.293 1.395 10 10 CDCEHM CCO[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000855521996 928433909 /nfs/dbraw/zinc/43/39/09/928433909.db2.gz GSKJDBMHBSUUHD-KYZUINATSA-N -1 3 251.282 1.395 10 10 CDCEHM C[C@@H]1C[C@H](C(=O)NCc2c([O-])cccc2F)CCO1 ZINC000928707460 933174513 /nfs/dbraw/zinc/17/45/13/933174513.db2.gz DYDNGKRGTBLILD-NXEZZACHSA-N -1 3 267.300 1.963 10 10 CDCEHM COC(C)(C)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000720057916 934862571 /nfs/dbraw/zinc/86/25/71/934862571.db2.gz USIFCOWSDJFKGX-MRVPVSSYSA-N -1 3 253.298 1.641 10 10 CDCEHM COC(=O)[C@@H](C)CN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC001546229053 971593707 /nfs/dbraw/zinc/59/37/07/971593707.db2.gz WDSMWQGLYJEPPI-VIFPVBQESA-N -1 3 293.319 1.512 10 10 CDCEHM O=C(NCCNC(=O)c1ccccc1)c1cc([O-])cs1 ZINC000731867757 575068612 /nfs/dbraw/zinc/06/86/12/575068612.db2.gz SYTCUJJYBXDRQK-UHFFFAOYSA-N -1 3 290.344 1.614 10 10 CDCEHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000735522982 575475919 /nfs/dbraw/zinc/47/59/19/575475919.db2.gz QTNHLHIJVVADNT-NSHDSACASA-N -1 3 296.392 1.927 10 10 CDCEHM O=C(NC[C@H](CO)c1ccccc1)c1cc([O-])cs1 ZINC000755835053 576963975 /nfs/dbraw/zinc/96/39/75/576963975.db2.gz DXYMBVYUIBPZQW-LLVKDONJSA-N -1 3 277.345 1.960 10 10 CDCEHM COC(=O)CC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000927967063 618758871 /nfs/dbraw/zinc/75/88/71/618758871.db2.gz RVNJSUVMAOOYPF-UHFFFAOYSA-N -1 3 281.308 1.417 10 10 CDCEHM COC(=O)[C@](C)(CCF)NCc1cc(F)ccc1[O-] ZINC000827353028 630685180 /nfs/dbraw/zinc/68/51/80/630685180.db2.gz WTTFNZLMYUELJO-ZDUSSCGKSA-N -1 3 273.279 1.912 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCCOC1 ZINC000914291693 631321603 /nfs/dbraw/zinc/32/16/03/631321603.db2.gz KKJCABKQQKAYOQ-SNVBAGLBSA-N -1 3 282.315 1.757 10 10 CDCEHM O=C(Nc1ccnc(-n2cccn2)c1)c1cccc(O)c1[O-] ZINC001637364579 1166751133 /nfs/dbraw/zinc/75/11/33/1166751133.db2.gz SPESADCOFDNISE-UHFFFAOYSA-N -1 3 296.286 1.931 10 10 CDCEHM COc1cc(C(=O)NCc2c([O-])cccc2F)ccn1 ZINC001645048379 1167361200 /nfs/dbraw/zinc/36/12/00/1167361200.db2.gz TUXJDYKSMFZPQC-UHFFFAOYSA-N -1 3 276.267 1.865 10 10 CDCEHM COc1cccnc1C(=O)NCc1c([O-])cccc1F ZINC001646033735 1167618185 /nfs/dbraw/zinc/61/81/85/1167618185.db2.gz CRKGLJRUHFYURC-UHFFFAOYSA-N -1 3 276.267 1.865 10 10 CDCEHM Cc1ocnc1CNC(=O)NCc1c([O-])cccc1F ZINC001671113189 1166876698 /nfs/dbraw/zinc/87/66/98/1166876698.db2.gz WHVDOAKRWRNGKM-UHFFFAOYSA-N -1 3 279.271 1.827 10 10 CDCEHM O=C(NC[C@H]1CCc2cccnc21)c1cccc(O)c1[O-] ZINC000857971380 823825866 /nfs/dbraw/zinc/82/58/66/823825866.db2.gz QLMHOFAHAMIJPS-LLVKDONJSA-N -1 3 284.315 1.953 10 10 CDCEHM C[C@@]1(CNC(=O)NCc2c([O-])cccc2F)CCCO1 ZINC000921397317 825150056 /nfs/dbraw/zinc/15/00/56/825150056.db2.gz WSVQLPSIWXRASF-AWEZNQCLSA-N -1 3 282.315 1.900 10 10 CDCEHM CC[C@@H](C(=O)NCc1c([O-])cccc1F)C(=O)OC ZINC000928707410 828770146 /nfs/dbraw/zinc/77/01/46/828770146.db2.gz DHRGMZDBNYSVEY-QMMMGPOBSA-N -1 3 269.272 1.347 10 10 CDCEHM C[C@H](Cc1cnn(C)c1)C(=O)NCc1c([O-])cccc1F ZINC000928706366 825819970 /nfs/dbraw/zinc/81/99/70/825819970.db2.gz RCPUECQPOJUXMI-SNVBAGLBSA-N -1 3 291.326 1.760 10 10 CDCEHM C[C@H](N[C@H]1CCNC1=O)c1cc(F)cc(F)c1[O-] ZINC000850480419 826877531 /nfs/dbraw/zinc/87/75/31/826877531.db2.gz AIAZQCJCVMKJCF-WKEGUHRASA-N -1 3 256.252 1.210 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2C[C@H]3C[C@@]3(O)C2)c1[O-] ZINC000880417968 827427273 /nfs/dbraw/zinc/42/72/73/827427273.db2.gz YCWISECYVRRLCE-QMTHXVAHSA-N -1 3 265.284 1.301 10 10 CDCEHM CCON(C)C(=O)CNCc1cc(Cl)c(F)cc1[O-] ZINC000846065388 827512904 /nfs/dbraw/zinc/51/29/04/827512904.db2.gz VSMTYAFVGBFDSG-UHFFFAOYSA-N -1 3 290.722 1.684 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCn3nccc3C2)c1[O-] ZINC001174863617 913372612 /nfs/dbraw/zinc/37/26/12/913372612.db2.gz RKTUOWGRFDVPNM-UHFFFAOYSA-N -1 3 289.310 1.946 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cc[n+]([O-])cc1 ZINC001456086664 968861545 /nfs/dbraw/zinc/86/15/45/968861545.db2.gz GIHDYZCNBQRQMA-UHFFFAOYSA-N -1 3 262.240 1.095 10 10 CDCEHM Cn1cc([N+](=O)[O-])c(NCc2c([O-])cccc2F)n1 ZINC001652252608 1171412629 /nfs/dbraw/zinc/41/26/29/1171412629.db2.gz NZOWGGGDCUWRHU-UHFFFAOYSA-N -1 3 266.232 1.785 10 10 CDCEHM CC(=O)C(=N[N-]c1cn[nH]c1)C(=O)OC(C)(C)C ZINC000616220959 342186827 /nfs/dbraw/zinc/18/68/27/342186827.db2.gz RIJXCPDUFMYPBQ-VIFPVBQESA-N -1 3 252.274 1.793 10 10 CDCEHM COc1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000014775132 366179899 /nfs/dbraw/zinc/17/98/99/366179899.db2.gz ZMPLLBBFALVVAF-UHFFFAOYSA-N -1 3 270.240 1.882 10 10 CDCEHM O=C1C[C@@]2(CCN(Cc3cc(Cl)c(F)cc3[O-])C2)CN1 ZINC000294619779 199110365 /nfs/dbraw/zinc/11/03/65/199110365.db2.gz JCYXVLYADIRFNB-AWEZNQCLSA-N -1 3 298.745 1.897 10 10 CDCEHM [O-]c1c(Cl)cccc1CN1CCN2CCOC[C@H]2C1 ZINC000375238875 370800297 /nfs/dbraw/zinc/80/02/97/370800297.db2.gz SEBPMOJJBSCXPF-GFCCVEGCSA-N -1 3 282.771 1.562 10 10 CDCEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000529974793 368101521 /nfs/dbraw/zinc/10/15/21/368101521.db2.gz CWHSMLFRBPOHGK-SREGZZRCSA-N -1 3 265.309 1.640 10 10 CDCEHM Cc1cc(C[C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])[nH]n1 ZINC000182831181 391245904 /nfs/dbraw/zinc/24/59/04/391245904.db2.gz HNTKYSDZXNNTHV-VIFPVBQESA-N -1 3 289.335 1.799 10 10 CDCEHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1csnn1 ZINC000398364091 1160104132 /nfs/dbraw/zinc/10/41/32/1160104132.db2.gz NBJJWOZTIRTCLW-LURJTMIESA-N -1 3 265.294 1.440 10 10 CDCEHM Cc1noc(CCNC(=O)c2cc([O-])cs2)n1 ZINC000731872465 575067561 /nfs/dbraw/zinc/06/75/61/575067561.db2.gz LPXNGQXYSUTWDU-UHFFFAOYSA-N -1 3 253.283 1.118 10 10 CDCEHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc([O-])cs1 ZINC000732273578 575085557 /nfs/dbraw/zinc/08/55/57/575085557.db2.gz YVWGWIODGKERQN-YUMQZZPRSA-N -1 3 268.338 1.180 10 10 CDCEHM CC(=O)N1CSC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711539 620506534 /nfs/dbraw/zinc/50/65/34/620506534.db2.gz INGXBQQOXBLLBV-NSHDSACASA-N -1 3 298.339 1.069 10 10 CDCEHM CC(C)(O)CN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC001633569752 1166433838 /nfs/dbraw/zinc/43/38/38/1166433838.db2.gz RBDBBLBZPMBSMZ-UHFFFAOYSA-N -1 3 265.309 1.473 10 10 CDCEHM CO[C@@H]1CC[C@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000687210099 1166795577 /nfs/dbraw/zinc/79/55/77/1166795577.db2.gz XZUDQJCFQXORFV-VHSXEESVSA-N -1 3 265.309 1.737 10 10 CDCEHM Nc1ccnc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001645050025 1167361581 /nfs/dbraw/zinc/36/15/81/1167361581.db2.gz BAFMWLYGEWLMCU-UHFFFAOYSA-N -1 3 261.256 1.439 10 10 CDCEHM O=C(NCc1c(O)ccc2ccccc21)c1cc(=O)[n-]cn1 ZINC001645443652 1167403044 /nfs/dbraw/zinc/40/30/44/1167403044.db2.gz RSOKLGOOVQSADI-UHFFFAOYSA-N -1 3 295.298 1.971 10 10 CDCEHM O=C(COCc1ccccn1)NCc1c([O-])cccc1F ZINC001638866864 1166880306 /nfs/dbraw/zinc/88/03/06/1166880306.db2.gz QHFQVACXFXKPKC-UHFFFAOYSA-N -1 3 290.294 1.759 10 10 CDCEHM CCN1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1=O ZINC000191533257 833148563 /nfs/dbraw/zinc/14/85/63/833148563.db2.gz OPWPLFPSWZLTEG-UHFFFAOYSA-N -1 3 280.299 1.356 10 10 CDCEHM Cc1cc([O-])c(CN2CC3(C2)CN(C)C(=O)O3)cc1Cl ZINC000826130697 833285150 /nfs/dbraw/zinc/28/51/50/833285150.db2.gz LKHRNKVKOQXWMR-UHFFFAOYSA-N -1 3 296.754 1.990 10 10 CDCEHM O=C1N=NC2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC000776521174 833327262 /nfs/dbraw/zinc/32/72/62/833327262.db2.gz LFZAMTBWSRSIQU-UHFFFAOYSA-N -1 3 280.715 1.359 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1(F)CCOCC1 ZINC000928707789 829340534 /nfs/dbraw/zinc/34/05/34/829340534.db2.gz BTCDPGNVJOSCJJ-UHFFFAOYSA-N -1 3 271.263 1.666 10 10 CDCEHM O=C(CCCn1ccnc1)NCc1c([O-])cccc1F ZINC000928706487 833408799 /nfs/dbraw/zinc/40/87/99/833408799.db2.gz ULUCXKXZFSZECV-UHFFFAOYSA-N -1 3 277.299 1.824 10 10 CDCEHM C[C@H](O)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000840977676 829739706 /nfs/dbraw/zinc/73/97/06/829739706.db2.gz IYZPSYYOWCFCLC-TVQRCGJNSA-N -1 3 271.744 1.627 10 10 CDCEHM CN(Cc1cc(F)cc(F)c1[O-])C[C@H]1CN(C)CCO1 ZINC000708412351 830021371 /nfs/dbraw/zinc/02/13/71/830021371.db2.gz HGCIFNHNRSEFRP-GFCCVEGCSA-N -1 3 286.322 1.433 10 10 CDCEHM CC[C@@H](C)OCC(=O)NCc1c([O-])cccc1F ZINC000928705822 830301086 /nfs/dbraw/zinc/30/10/86/830301086.db2.gz NVQDJVRTKVPMAO-SECBINFHSA-N -1 3 255.289 1.963 10 10 CDCEHM CCN1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928711554 832137915 /nfs/dbraw/zinc/13/79/15/832137915.db2.gz IRFSSWSONDNTMK-SECBINFHSA-N -1 3 280.299 1.016 10 10 CDCEHM O=C(CC[C@@H]1CCOC1)NCc1c([O-])cccc1F ZINC000928704909 832975189 /nfs/dbraw/zinc/97/51/89/832975189.db2.gz GEFBFQCLSBUFPQ-SNVBAGLBSA-N -1 3 267.300 1.964 10 10 CDCEHM Cc1cc(C)nc(C2CN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000913608491 833538460 /nfs/dbraw/zinc/53/84/60/833538460.db2.gz OLYJPVIACSYIKN-UHFFFAOYSA-N -1 3 299.330 1.744 10 10 CDCEHM O=C(NCCO[C@H]1CC1(F)F)c1cccc(O)c1[O-] ZINC000709237174 834204832 /nfs/dbraw/zinc/20/48/32/834204832.db2.gz PKGIOEXBNYBHBP-VIFPVBQESA-N -1 3 273.235 1.252 10 10 CDCEHM CCC[C@@H](C)[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000846361398 834365368 /nfs/dbraw/zinc/36/53/68/834365368.db2.gz QIZWYUCBUIEFSA-MWLCHTKSSA-N -1 3 267.325 1.625 10 10 CDCEHM Cn1cc(Cl)c(NC(=O)c2cccc(O)c2[O-])n1 ZINC001178465442 915451777 /nfs/dbraw/zinc/45/17/77/915451777.db2.gz KNFUWBOAHFLQPO-UHFFFAOYSA-N -1 3 267.672 1.737 10 10 CDCEHM O=C(NN1C[C@@H]2CCC[C@@H]2C1)c1cccc(O)c1[O-] ZINC001558872257 965363766 /nfs/dbraw/zinc/36/37/66/965363766.db2.gz KNJQHEMZEBVWJA-AOOOYVTPSA-N -1 3 262.309 1.475 10 10 CDCEHM Cn1cc(CCNC(=O)NCc2c([O-])cccc2F)cn1 ZINC001350868201 966783576 /nfs/dbraw/zinc/78/35/76/966783576.db2.gz WBPKKQGGOZIIOD-UHFFFAOYSA-N -1 3 292.314 1.307 10 10 CDCEHM Cc1cc(OCC(=O)NCc2c([O-])cccc2F)no1 ZINC001456093959 968864266 /nfs/dbraw/zinc/86/42/66/968864266.db2.gz PIVJUKCPLSZVBY-UHFFFAOYSA-N -1 3 280.255 1.523 10 10 CDCEHM CSCCO[N-]C(=O)Cc1ccc(O)c(O)c1 ZINC001467721668 970091282 /nfs/dbraw/zinc/09/12/82/970091282.db2.gz VCHKFMNSBXLZSP-UHFFFAOYSA-N -1 3 257.311 1.051 10 10 CDCEHM O=c1[nH]c2cc(O)c(O)cc2c2cc([O-])c(O)cc12 ZINC000013737747 356689292 /nfs/dbraw/zinc/68/92/92/356689292.db2.gz DGBGQRANCYITIY-UHFFFAOYSA-N -1 3 259.217 1.504 10 10 CDCEHM CC[C@H](CO)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271767131 364998334 /nfs/dbraw/zinc/99/83/34/364998334.db2.gz FPLYXNKGEOXJEM-CYBMUJFWSA-N -1 3 298.814 1.934 10 10 CDCEHM C[C@]1(C(N)=O)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294797716 371092667 /nfs/dbraw/zinc/09/26/67/371092667.db2.gz VULUUSJVBIYHRB-ZDUSSCGKSA-N -1 3 286.734 1.882 10 10 CDCEHM O=[N+]([O-])c1ccc([O-])c(CN2CCN(CC3CC3)CC2)c1 ZINC000069627549 378437987 /nfs/dbraw/zinc/43/79/87/378437987.db2.gz VGWASNDWRBIACM-UHFFFAOYSA-N -1 3 291.351 1.828 10 10 CDCEHM C[C@H](CS(C)(=O)=O)NCc1cc(Cl)c(F)cc1[O-] ZINC000293539255 378581763 /nfs/dbraw/zinc/58/17/63/378581763.db2.gz FSRPYPWHSORVNF-SSDOTTSWSA-N -1 3 295.763 1.707 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2CCCOC2)c([O-])c1O ZINC000182392662 391234098 /nfs/dbraw/zinc/23/40/98/391234098.db2.gz HIGDPPMBOGWFOD-SECBINFHSA-N -1 3 251.282 1.315 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2CO)c([O-])c1O ZINC000182819685 391245648 /nfs/dbraw/zinc/24/56/48/391245648.db2.gz QNSMJRVNNJQLTE-JQWIXIFHSA-N -1 3 279.336 1.687 10 10 CDCEHM CNC(=O)[C@H]1CCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000184682327 262291412 /nfs/dbraw/zinc/29/14/12/262291412.db2.gz HSMXHUIKAKRXJP-LLVKDONJSA-N -1 3 298.770 1.765 10 10 CDCEHM CCN(CC(N)=O)Cc1cc(Cl)cc(C)c1[O-] ZINC000188058617 276088573 /nfs/dbraw/zinc/08/85/73/276088573.db2.gz OOWXEJFQSARECG-UHFFFAOYSA-N -1 3 256.733 1.661 10 10 CDCEHM Cc1ccc(C(=O)N2CC3(C2)CCCOC3)c([O-])c1O ZINC000366555266 301496279 /nfs/dbraw/zinc/49/62/79/301496279.db2.gz MCGDLNWTSFBZGQ-UHFFFAOYSA-N -1 3 277.320 1.659 10 10 CDCEHM COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1ccccc1[O-] ZINC000180150193 329218037 /nfs/dbraw/zinc/21/80/37/329218037.db2.gz VTWQZTBVIKZFSU-NEPJUHHUSA-N -1 3 265.309 1.155 10 10 CDCEHM C[C@H](NCc1cccc(F)c1[O-])C(=O)N1CCCC1 ZINC000135888572 334140596 /nfs/dbraw/zinc/14/05/96/334140596.db2.gz YQEZMTUVDYTAFC-JTQLQIEISA-N -1 3 266.316 1.632 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000093332355 1174437434 /nfs/dbraw/zinc/43/74/34/1174437434.db2.gz HVQQVCVVYCRDIM-OTYXRUKQSA-N -1 3 281.327 1.937 10 10 CDCEHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N1CCC[C@@H]1C ZINC000769864406 575392643 /nfs/dbraw/zinc/39/26/43/575392643.db2.gz HGSWIWCUOCPCMU-VIFPVBQESA-N -1 3 298.364 1.736 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](C)[C@H](C)O1 ZINC000783811554 617638476 /nfs/dbraw/zinc/63/84/76/617638476.db2.gz CNOLALMNPLYJFE-UTLUCORTSA-N -1 3 265.309 1.736 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC(C2CCOCC2)C1 ZINC000800599770 618411766 /nfs/dbraw/zinc/41/17/66/618411766.db2.gz ITYOYHCOUWMDQX-UHFFFAOYSA-N -1 3 277.320 1.596 10 10 CDCEHM O=C(COCC(F)(F)F)NCc1c([O-])cccc1F ZINC000928709201 620505880 /nfs/dbraw/zinc/50/58/80/620505880.db2.gz YIDMVDKTEOSXEX-UHFFFAOYSA-N -1 3 281.205 1.726 10 10 CDCEHM O=C(N[C@H]1CCCN(CCF)C1)c1cccc(O)c1[O-] ZINC000898500508 621775628 /nfs/dbraw/zinc/77/56/28/621775628.db2.gz XZONWRYXLJDDPF-JTQLQIEISA-N -1 3 282.315 1.262 10 10 CDCEHM COC[C@H](C)NC(=S)NCc1c([O-])cccc1F ZINC000905659811 626904951 /nfs/dbraw/zinc/90/49/51/626904951.db2.gz CRVIXKXQYIVXCB-QMMMGPOBSA-N -1 3 272.345 1.530 10 10 CDCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CCOC1 ZINC000920474017 632793043 /nfs/dbraw/zinc/79/30/43/632793043.db2.gz WMXUJRFYMHCHEB-VHSXEESVSA-N -1 3 282.315 1.756 10 10 CDCEHM C[C@H](C(=O)NCc1c([O-])cccc1F)n1ccnc1 ZINC001635360624 1166581043 /nfs/dbraw/zinc/58/10/43/1166581043.db2.gz OICWKUXZFCXXJR-SECBINFHSA-N -1 3 263.272 1.605 10 10 CDCEHM COCn1cc(NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC001639706567 1166964910 /nfs/dbraw/zinc/96/49/10/1166964910.db2.gz PHHBPAXXASZICY-UHFFFAOYSA-N -1 3 277.280 1.459 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2C[C@@H]3C(=O)OC[C@@H]3C2)c1[O-] ZINC001655246156 1171680129 /nfs/dbraw/zinc/68/01/29/1171680129.db2.gz XAMLYEOOUOGSND-GWCFXTLKSA-N -1 3 293.294 1.339 10 10 CDCEHM Cc1noc([C@@H](NC(=O)c2cccc(O)c2[O-])C(C)C)n1 ZINC000193064922 1184548266 /nfs/dbraw/zinc/54/82/66/1184548266.db2.gz DPVYNOZGKKYZEL-NSHDSACASA-N -1 3 291.307 1.916 10 10 CDCEHM COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928710893 835953681 /nfs/dbraw/zinc/95/36/81/835953681.db2.gz XDPLNTZVZNKUSM-DTWKUNHWSA-N -1 3 281.283 1.347 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnn2c1CCCC2 ZINC000928705575 838846203 /nfs/dbraw/zinc/84/62/03/838846203.db2.gz LMHRWKBGUFEJBQ-UHFFFAOYSA-N -1 3 289.310 1.994 10 10 CDCEHM C[C@@H]1COC2(CCC2)CN1C(=O)c1cccc(O)c1[O-] ZINC000855518789 839151956 /nfs/dbraw/zinc/15/19/56/839151956.db2.gz KETBPGJKLLUKNT-SNVBAGLBSA-N -1 3 277.320 1.881 10 10 CDCEHM CCO[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923247190 839861070 /nfs/dbraw/zinc/86/10/70/839861070.db2.gz CQGKDJIGAMDIAH-MGCOHNPYSA-N -1 3 282.315 1.898 10 10 CDCEHM O=C1OC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])C[C@@H]12 ZINC000862546082 839865483 /nfs/dbraw/zinc/86/54/83/839865483.db2.gz GEEPLBNQIZWSJZ-RKDXNWHRSA-N -1 3 285.702 1.790 10 10 CDCEHM O=C(C[C@H]1CCOC1)NCc1c([O-])cccc1F ZINC000928705819 840091418 /nfs/dbraw/zinc/09/14/18/840091418.db2.gz NSQGYSHUPJPGAE-SECBINFHSA-N -1 3 253.273 1.574 10 10 CDCEHM CCn1nc(C)cc1C(=O)NCc1c([O-])cccc1F ZINC000928710433 840262000 /nfs/dbraw/zinc/26/20/00/840262000.db2.gz DLUPANZKJDMJSY-UHFFFAOYSA-N -1 3 277.299 1.986 10 10 CDCEHM C[C@](O)(C(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000928706844 840688035 /nfs/dbraw/zinc/68/80/35/840688035.db2.gz WSUPSMVRGUMLLH-CYBMUJFWSA-N -1 3 253.273 1.309 10 10 CDCEHM CCO[C@@H](C(=O)NCc1c([O-])cccc1F)[C@H]1CCOC1 ZINC000928707850 841001278 /nfs/dbraw/zinc/00/12/78/841001278.db2.gz CYWQQRQTXSUTNX-IINYFYTJSA-N -1 3 297.326 1.589 10 10 CDCEHM C[C@@H](N[C@H](CO)c1ccnn1C)c1cc(F)cc(F)c1[O-] ZINC000858434831 841540421 /nfs/dbraw/zinc/54/04/21/841540421.db2.gz QRWKHQJSCPXLHN-PRHODGIISA-N -1 3 297.305 1.788 10 10 CDCEHM COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000836843031 841691703 /nfs/dbraw/zinc/69/17/03/841691703.db2.gz ZISFIZVZDZBIGD-KOLCDFICSA-N -1 3 293.319 1.559 10 10 CDCEHM Cc1cc([O-])c(CN2CCNC(=O)C2)c(Cl)c1 ZINC000840908533 842580110 /nfs/dbraw/zinc/58/01/10/842580110.db2.gz SOOHZFMXKCMCEL-UHFFFAOYSA-N -1 3 254.717 1.286 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)C1(O)CCSCC1 ZINC000928706145 842830719 /nfs/dbraw/zinc/83/07/19/842830719.db2.gz RYEBAAJBDCXRSS-UHFFFAOYSA-N -1 3 285.340 1.406 10 10 CDCEHM CC1(C)CCN(C(=O)c2cccc(O)c2[O-])CC[S@@]1=O ZINC000322034790 941882208 /nfs/dbraw/zinc/88/22/08/941882208.db2.gz LNCCFQAEOLDEBH-FQEVSTJZSA-N -1 3 297.376 1.471 10 10 CDCEHM COC(=O)c1cnc(NCc2c([O-])cccc2F)cn1 ZINC001559284860 965426134 /nfs/dbraw/zinc/42/61/34/965426134.db2.gz SXWWKJRQAILJCZ-UHFFFAOYSA-N -1 3 277.255 1.720 10 10 CDCEHM Cc1cc(Cl)cc(CN2CCN3C(=O)NC[C@H]3C2)c1[O-] ZINC000180691276 357284589 /nfs/dbraw/zinc/28/45/89/357284589.db2.gz UXDBYEWZNBTWKU-LBPRGKRZSA-N -1 3 295.770 1.563 10 10 CDCEHM Cc1ccc(C(=O)N(C)[C@@H]2CCOC2)c([O-])c1O ZINC000272741935 365376178 /nfs/dbraw/zinc/37/61/78/365376178.db2.gz IOKUTKYUHMGXIH-SECBINFHSA-N -1 3 251.282 1.267 10 10 CDCEHM CCN(C)C(=O)CNCc1cc(Cl)c(F)cc1[O-] ZINC000294670171 371082907 /nfs/dbraw/zinc/08/29/07/371082907.db2.gz MEOGOOFOSPBUOZ-UHFFFAOYSA-N -1 3 274.723 1.753 10 10 CDCEHM NC(=O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294968754 371111259 /nfs/dbraw/zinc/11/12/59/371111259.db2.gz RHVOAXFTKAJJHP-QMMMGPOBSA-N -1 3 286.734 1.882 10 10 CDCEHM NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1[O-] ZINC000179553787 372994054 /nfs/dbraw/zinc/99/40/54/372994054.db2.gz RJAVZDHOSNDXSW-OAHLLOKOSA-N -1 3 282.343 1.804 10 10 CDCEHM O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(O)c1[O-] ZINC000248751647 377323939 /nfs/dbraw/zinc/32/39/39/377323939.db2.gz OSZQJQOKOGLODY-UFGOTCBOSA-N -1 3 277.320 1.785 10 10 CDCEHM [O-]c1cc(F)c(Cl)cc1CN(CCO)CCCO ZINC000295221440 378663711 /nfs/dbraw/zinc/66/37/11/378663711.db2.gz BUNBFNVVPQAPHJ-UHFFFAOYSA-N -1 3 277.723 1.361 10 10 CDCEHM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cccc(O)c1[O-] ZINC000126480153 260353383 /nfs/dbraw/zinc/35/33/83/260353383.db2.gz KOKUWYJMOWVRJI-NWDGAFQWSA-N -1 3 290.363 1.797 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCN2CCCC[C@@H]2C1 ZINC000126479424 260353458 /nfs/dbraw/zinc/35/34/58/260353458.db2.gz GMKMFGODBFRJPH-LLVKDONJSA-N -1 3 276.336 1.408 10 10 CDCEHM COC(=O)[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272536227 263005844 /nfs/dbraw/zinc/00/58/44/263005844.db2.gz BEODKUDJCUEPEK-VIFPVBQESA-N -1 3 279.292 1.041 10 10 CDCEHM C[C@H](NCc1cccc(F)c1[O-])c1nnc2n1CCC2 ZINC000165017069 331305606 /nfs/dbraw/zinc/30/56/06/331305606.db2.gz ZWDXDDARMVIOPF-VIFPVBQESA-N -1 3 276.315 1.920 10 10 CDCEHM O=C(c1cc([O-])cs1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000741286308 576549364 /nfs/dbraw/zinc/54/93/64/576549364.db2.gz YMWTYAQQAGLKEA-VIFPVBQESA-N -1 3 281.255 1.593 10 10 CDCEHM C[C@]1(C(=O)NCc2c([O-])cccc2F)CCC(=O)NC1 ZINC000928708539 620505603 /nfs/dbraw/zinc/50/56/03/620505603.db2.gz OHWVKCLEPYZQST-AWEZNQCLSA-N -1 3 280.299 1.064 10 10 CDCEHM CCOCCCNC(=O)NCc1c([O-])cccc1F ZINC000913853093 630840437 /nfs/dbraw/zinc/84/04/37/630840437.db2.gz OFNOJDKVRMKYQN-UHFFFAOYSA-N -1 3 270.304 1.757 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnc2n[nH]cc2c1 ZINC001638866679 1166880211 /nfs/dbraw/zinc/88/02/11/1166880211.db2.gz JCQALLPYSXTBIP-UHFFFAOYSA-N -1 3 286.266 1.733 10 10 CDCEHM C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC001570801592 1170281731 /nfs/dbraw/zinc/28/17/31/1170281731.db2.gz AWGWZMBEIXRCIK-KXUCPTDWSA-N -1 3 292.335 1.212 10 10 CDCEHM NC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])cs1 ZINC001641715750 1167131597 /nfs/dbraw/zinc/13/15/97/1167131597.db2.gz YPAQNOLEZYXLOZ-UHFFFAOYSA-N -1 3 278.289 1.511 10 10 CDCEHM C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000235718893 844023629 /nfs/dbraw/zinc/02/36/29/844023629.db2.gz NBPPFBMXPBBVSI-CYBMUJFWSA-N -1 3 253.273 1.970 10 10 CDCEHM C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000235718893 844023640 /nfs/dbraw/zinc/02/36/40/844023640.db2.gz NBPPFBMXPBBVSI-CYBMUJFWSA-N -1 3 253.273 1.970 10 10 CDCEHM CC(C)NC(=O)CNCc1ccc(F)c(F)c1[O-] ZINC000703330058 844593258 /nfs/dbraw/zinc/59/32/58/844593258.db2.gz VDNLJOIGBMGLTA-UHFFFAOYSA-N -1 3 258.268 1.285 10 10 CDCEHM NC(=O)C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000862535730 843510115 /nfs/dbraw/zinc/51/01/15/843510115.db2.gz XKDIZYGGYOGZNR-SECBINFHSA-N -1 3 284.743 1.122 10 10 CDCEHM CC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000722046318 843884442 /nfs/dbraw/zinc/88/44/42/843884442.db2.gz OIDAAXJCMQVSPL-JTQLQIEISA-N -1 3 263.293 1.539 10 10 CDCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccn(C)n1 ZINC000922856488 845666423 /nfs/dbraw/zinc/66/64/23/845666423.db2.gz ZOKCKJJIYFXVJY-VIFPVBQESA-N -1 3 292.314 1.825 10 10 CDCEHM C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1c([O-])cccc1F ZINC000928711126 845918304 /nfs/dbraw/zinc/91/83/04/845918304.db2.gz DULMXQOEUBVYJV-QWRGUYRKSA-N -1 3 297.326 1.732 10 10 CDCEHM CC1(C(N)=O)CN(Cc2c([O-])cccc2Br)C1 ZINC000862398404 846415412 /nfs/dbraw/zinc/41/54/12/846415412.db2.gz HYDWZAKTZNGQAI-UHFFFAOYSA-N -1 3 299.168 1.462 10 10 CDCEHM CC(C)Cn1ccnc1CNC(=O)c1cccc(O)c1[O-] ZINC000187124781 847575542 /nfs/dbraw/zinc/57/55/42/847575542.db2.gz GIOIGXUNIQMFTC-UHFFFAOYSA-N -1 3 289.335 1.880 10 10 CDCEHM O=C(Nc1cc(Cl)[nH]n1)c1cccc(O)c1[O-] ZINC000790901205 847905437 /nfs/dbraw/zinc/90/54/37/847905437.db2.gz LGRHAAYLPNQRRO-UHFFFAOYSA-N -1 3 253.645 1.727 10 10 CDCEHM CCCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)C(=O)OCC ZINC001297139825 954969743 /nfs/dbraw/zinc/96/97/43/954969743.db2.gz HJJJBBSHYMQLFV-JTQLQIEISA-N -1 3 295.335 1.902 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccc2nc[nH]c2n1 ZINC001456029075 968851380 /nfs/dbraw/zinc/85/13/80/968851380.db2.gz JWXVCMZJDQRLDF-UHFFFAOYSA-N -1 3 286.266 1.733 10 10 CDCEHM [O-]c1cc2c(cc1CN1CC(F)(F)C[C@H]1CO)OCO2 ZINC000364650976 358470565 /nfs/dbraw/zinc/47/05/65/358470565.db2.gz HQEKHEBHBNZDKX-VIFPVBQESA-N -1 3 287.262 1.323 10 10 CDCEHM C[C@@H](CS(C)(=O)=O)NCc1cccc(F)c1[O-] ZINC000158780809 364094328 /nfs/dbraw/zinc/09/43/28/364094328.db2.gz XSCUBJFYJBWPBS-QMMMGPOBSA-N -1 3 261.318 1.054 10 10 CDCEHM COC[C@H](CO)NCc1cc(Cl)c(F)cc1[O-] ZINC000293910814 378602433 /nfs/dbraw/zinc/60/24/33/378602433.db2.gz LTAJHMCFEQSXTH-QMMMGPOBSA-N -1 3 263.696 1.282 10 10 CDCEHM O=C(NCC[C@@H]1CCCOC1)c1cccc(O)c1[O-] ZINC000529602662 333500628 /nfs/dbraw/zinc/50/06/28/333500628.db2.gz ZGVZZGYIJGVSGE-JTQLQIEISA-N -1 3 265.309 1.644 10 10 CDCEHM O=C1C[C@]2(CCN(Cc3c([O-])ccc(Cl)c3F)C2)CN1 ZINC000366027268 527034739 /nfs/dbraw/zinc/03/47/39/527034739.db2.gz QPARDVATRVUYTG-CQSZACIVSA-N -1 3 298.745 1.897 10 10 CDCEHM Cc1cc(Cl)cc(CN2CC(=O)N(C)C2)c1[O-] ZINC000765636254 576046680 /nfs/dbraw/zinc/04/66/80/576046680.db2.gz PEJLUZSOESNGMM-UHFFFAOYSA-N -1 3 254.717 1.586 10 10 CDCEHM COc1cccc([O-])c1CN(C)Cc1cnccn1 ZINC000769152635 576334721 /nfs/dbraw/zinc/33/47/21/576334721.db2.gz LQEZPIAWOZUSDM-UHFFFAOYSA-N -1 3 259.309 1.823 10 10 CDCEHM CC(C)(C)CC(=O)NCC(=O)NCc1c([O-])cccc1F ZINC000928711795 620507058 /nfs/dbraw/zinc/50/70/58/620507058.db2.gz LJIAVLGSZYHPSQ-UHFFFAOYSA-N -1 3 296.342 1.700 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCCO1 ZINC000905149493 626660450 /nfs/dbraw/zinc/66/04/50/626660450.db2.gz UGICIWVOHVQTRU-VIFPVBQESA-N -1 3 268.288 1.510 10 10 CDCEHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])Cc2c[nH]nc21 ZINC000913587457 630678497 /nfs/dbraw/zinc/67/84/97/630678497.db2.gz RFVFORCFBUPDIQ-QMMMGPOBSA-N -1 3 273.292 1.580 10 10 CDCEHM COc1ccc(O)c([C@H](C)NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001622779941 1165739221 /nfs/dbraw/zinc/73/92/21/1165739221.db2.gz YVTWUEDQVSOMBR-QMMMGPOBSA-N -1 3 289.291 1.387 10 10 CDCEHM O=C(CCc1cncnc1)NCc1c([O-])cccc1F ZINC001646035254 1167618305 /nfs/dbraw/zinc/61/83/05/1167618305.db2.gz UKTHHDSJJFCLNO-UHFFFAOYSA-N -1 3 275.283 1.570 10 10 CDCEHM [O-]c1ccc(F)cc1CN1CCc2nccnc2C1 ZINC000827691712 698846581 /nfs/dbraw/zinc/84/65/81/698846581.db2.gz AGOSFHRATPAPEK-UHFFFAOYSA-N -1 3 259.284 1.880 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC(C)(C(N)=O)C2)c1[O-] ZINC000829054297 705044953 /nfs/dbraw/zinc/04/49/53/705044953.db2.gz OUALGPVXNHFAGB-UHFFFAOYSA-N -1 3 280.299 1.041 10 10 CDCEHM C[C@H](N[C@H](CO)c1ccnn1C)c1ccc(F)cc1[O-] ZINC000858434424 848237319 /nfs/dbraw/zinc/23/73/19/848237319.db2.gz GNVXEVLOKGAPTK-JOYOIKCWSA-N -1 3 279.315 1.649 10 10 CDCEHM O=C(N[C@]12CCC[C@H]1OCC2)c1cccc(O)c1[O-] ZINC000872281879 848826146 /nfs/dbraw/zinc/82/61/46/848826146.db2.gz WVOTWTRPNRYLGZ-RISCZKNCSA-N -1 3 263.293 1.539 10 10 CDCEHM Cn1nccc1CNCc1cc(F)cc(F)c1[O-] ZINC000708536297 848879689 /nfs/dbraw/zinc/87/96/89/848879689.db2.gz YWLSCDNURWJOKY-UHFFFAOYSA-N -1 3 253.252 1.694 10 10 CDCEHM CCOC(=O)C(C)(C)C(=O)NCc1c([O-])cccc1F ZINC000928705485 849536611 /nfs/dbraw/zinc/53/66/11/849536611.db2.gz KMAXOCSOPQEMDG-UHFFFAOYSA-N -1 3 283.299 1.737 10 10 CDCEHM CCN(CC(=O)NC)Cc1c([O-])cc(C)cc1Cl ZINC000840911084 849723166 /nfs/dbraw/zinc/72/31/66/849723166.db2.gz WSRAZWRTUDWEGB-UHFFFAOYSA-N -1 3 270.760 1.922 10 10 CDCEHM CN(C(=O)c1cccc(O)c1[O-])[C@@H](CO)c1ccccc1 ZINC001298375251 955180528 /nfs/dbraw/zinc/18/05/28/955180528.db2.gz YODGXLXAJBMGAA-ZDUSSCGKSA-N -1 3 287.315 1.903 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCN[C@H](c2ccccc2)C1 ZINC001557032823 965134659 /nfs/dbraw/zinc/13/46/59/965134659.db2.gz KGTHQLIUEQHHLE-AWEZNQCLSA-N -1 3 298.342 1.885 10 10 CDCEHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)nn1 ZINC001471975862 970524531 /nfs/dbraw/zinc/52/45/31/970524531.db2.gz KJIIQELGWPVIFU-UHFFFAOYSA-N -1 3 261.256 1.560 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccc(F)nc1 ZINC001471975788 970525540 /nfs/dbraw/zinc/52/55/40/970525540.db2.gz HNAROPVXQJHUOQ-UHFFFAOYSA-N -1 3 264.231 1.995 10 10 CDCEHM Cc1nc(C(=O)NCc2c([O-])cccc2F)c(=O)[nH]c1C ZINC001471976446 970527150 /nfs/dbraw/zinc/52/71/50/970527150.db2.gz ZGQODWRQZRWANI-UHFFFAOYSA-N -1 3 291.282 1.574 10 10 CDCEHM Cc1nc(CN(C)C(=O)c2cccc(O)c2[O-])no1 ZINC000189557787 358025165 /nfs/dbraw/zinc/02/51/65/358025165.db2.gz GFLPPFANXRQYPH-UHFFFAOYSA-N -1 3 263.253 1.061 10 10 CDCEHM CN(CCOCCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000294750223 199165995 /nfs/dbraw/zinc/16/59/95/199165995.db2.gz RKOVTQIYQMKLIB-UHFFFAOYSA-N -1 3 277.723 1.625 10 10 CDCEHM Cc1ccc(C(=O)N2CCCn3nccc32)c([O-])c1O ZINC000272812611 365405920 /nfs/dbraw/zinc/40/59/20/365405920.db2.gz NTNCUTQZOXSKFT-UHFFFAOYSA-N -1 3 273.292 1.653 10 10 CDCEHM Cc1ccc(C(=O)NCC[C@H]2CCCOC2)c([O-])c1O ZINC000529597305 368084802 /nfs/dbraw/zinc/08/48/02/368084802.db2.gz GNYCQDRWNJFAHN-LLVKDONJSA-N -1 3 279.336 1.953 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2CCOC2(C)C)c([O-])c1O ZINC000295770938 371447922 /nfs/dbraw/zinc/44/79/22/371447922.db2.gz COSZWRUVDGFQAQ-SNVBAGLBSA-N -1 3 265.309 1.704 10 10 CDCEHM CNC(=O)[C@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000160224466 261208423 /nfs/dbraw/zinc/20/84/23/261208423.db2.gz KBKPTUZXPNMKKT-LLVKDONJSA-N -1 3 252.289 1.242 10 10 CDCEHM C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000185718375 327843185 /nfs/dbraw/zinc/84/31/85/327843185.db2.gz MGTZULJVLVADNK-RKDXNWHRSA-N -1 3 251.282 1.347 10 10 CDCEHM O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1cccc(O)c1[O-] ZINC000229416873 333304852 /nfs/dbraw/zinc/30/48/52/333304852.db2.gz REVMKEFHJHHDQJ-ZWNOBZJWSA-N -1 3 263.293 1.395 10 10 CDCEHM CC1(C)OC[C@H]2C[C@]21NC(=O)c1cccc(O)c1[O-] ZINC000529790191 333508339 /nfs/dbraw/zinc/50/83/39/333508339.db2.gz AQCJOALYLILOHX-CLAHSXSESA-N -1 3 263.293 1.395 10 10 CDCEHM C[C@H](O)c1cc2c(o1)C(=O)c1c([O-])cccc1C2=O ZINC000000899336 560179382 /nfs/dbraw/zinc/17/93/82/560179382.db2.gz CKCXAMWUYPZVFL-LURJTMIESA-N -1 3 258.229 1.814 10 10 biogenic,in-vitro CDCEHM CCc1c[nH]c(CC(=O)NCc2c([O-])cccc2F)n1 ZINC000928711343 620506675 /nfs/dbraw/zinc/50/66/75/620506675.db2.gz NHVMUPSXPSBXQL-UHFFFAOYSA-N -1 3 277.299 1.676 10 10 CDCEHM CCOc1ccc(C[NH2+]C[C@H](CC)C(=O)[O-])c([O-])c1 ZINC000903705244 626059028 /nfs/dbraw/zinc/05/90/28/626059028.db2.gz RUZSULJBWNTOJD-JTQLQIEISA-N -1 3 267.325 1.991 10 10 CDCEHM C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CCOC1 ZINC000920474016 632793351 /nfs/dbraw/zinc/79/33/51/632793351.db2.gz WMXUJRFYMHCHEB-UWVGGRQHSA-N -1 3 282.315 1.756 10 10 CDCEHM Cc1ccnc([C@@H](C)NC(=O)c2cccc(O)c2[O-])n1 ZINC001630334299 1166200823 /nfs/dbraw/zinc/20/08/23/1166200823.db2.gz KRYZXGKRRJHEKV-SECBINFHSA-N -1 3 273.292 1.687 10 10 CDCEHM CCN1CC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001646033499 1167618359 /nfs/dbraw/zinc/61/83/59/1167618359.db2.gz AASBWWPFFHJNTF-LLVKDONJSA-N -1 3 252.289 1.242 10 10 CDCEHM Cc1cccnc1CCNC(=O)c1cccc(O)c1[O-] ZINC000404850830 1186538909 /nfs/dbraw/zinc/53/89/09/1186538909.db2.gz OFTVXRDMEZDVGY-UHFFFAOYSA-N -1 3 272.304 1.774 10 10 CDCEHM C[C@@H](NCc1cn(C)nn1)c1ccc(F)cc1[O-] ZINC000389840544 705573907 /nfs/dbraw/zinc/57/39/07/705573907.db2.gz VBQCRKLNEKMXSE-MRVPVSSYSA-N -1 3 250.277 1.511 10 10 CDCEHM CC[C@H](O)[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712614 705766442 /nfs/dbraw/zinc/76/64/42/705766442.db2.gz SOFXTYQDWNIBQC-KWQFWETISA-N -1 3 255.289 1.555 10 10 CDCEHM COCCCOC1CN(Cc2cc(F)ccc2[O-])C1 ZINC000839134676 706195865 /nfs/dbraw/zinc/19/58/65/706195865.db2.gz SKLMUPINJTXBST-UHFFFAOYSA-N -1 3 269.316 1.769 10 10 CDCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ncn(C)n1 ZINC000922108755 709823559 /nfs/dbraw/zinc/82/35/59/709823559.db2.gz VITANWSEOLYXJR-MRVPVSSYSA-N -1 3 293.302 1.220 10 10 CDCEHM O=C1CN(Cc2cc(F)ccc2[O-])CCN1C1CC1 ZINC000779020255 709831216 /nfs/dbraw/zinc/83/12/16/709831216.db2.gz KYSXCSVUFUMGRQ-UHFFFAOYSA-N -1 3 264.300 1.338 10 10 CDCEHM Cn1nccc1[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000846115955 710065472 /nfs/dbraw/zinc/06/54/72/710065472.db2.gz OPINKKYFSJTLML-CQSZACIVSA-N -1 3 291.326 1.838 10 10 CDCEHM CC1(C)CC(=O)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000862773176 710089149 /nfs/dbraw/zinc/08/91/49/710089149.db2.gz VFTDYHVBMNPZKP-UHFFFAOYSA-N -1 3 277.320 1.929 10 10 CDCEHM CC(C)OCCC(=O)NCc1c([O-])cccc1F ZINC000928712726 710195212 /nfs/dbraw/zinc/19/52/12/710195212.db2.gz XVEWRZAQHQGQOU-UHFFFAOYSA-N -1 3 255.289 1.963 10 10 CDCEHM CCN(OC)C(=O)CNCc1cc(Cl)c(F)cc1[O-] ZINC000843430121 710419230 /nfs/dbraw/zinc/41/92/30/710419230.db2.gz GBEXMOIBYIBIPX-UHFFFAOYSA-N -1 3 290.722 1.684 10 10 CDCEHM Cc1cc([O-])c(CN2CCS(=O)CC2)c(Cl)c1 ZINC000840913886 710612121 /nfs/dbraw/zinc/61/21/21/710612121.db2.gz KVLZNLHMBASYGB-UHFFFAOYSA-N -1 3 273.785 1.918 10 10 CDCEHM COc1cccc(CNC(=O)c2cccc(O)c2[O-])n1 ZINC000192997543 711736217 /nfs/dbraw/zinc/73/62/17/711736217.db2.gz GYTJTUDFUQLLOB-UHFFFAOYSA-N -1 3 274.276 1.431 10 10 CDCEHM CC[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000817644478 711739732 /nfs/dbraw/zinc/73/97/32/711739732.db2.gz WGUMMCJHDHMDOK-ZJUUUORDSA-N -1 3 265.309 1.785 10 10 CDCEHM C[C@H]1C(=O)N(C)CN1Cc1cc(Cl)ccc1[O-] ZINC000843435910 937149319 /nfs/dbraw/zinc/14/93/19/937149319.db2.gz WAQWKILSEGXKRM-QMMMGPOBSA-N -1 3 254.717 1.666 10 10 CDCEHM CC[C@@H]([NH2+]Cc1nnc(COC)[n-]1)c1ccccc1[O-] ZINC000850515422 927439124 /nfs/dbraw/zinc/43/91/24/927439124.db2.gz XVSXYGPVBSTYLZ-LLVKDONJSA-N -1 3 276.340 1.898 10 10 CDCEHM COc1nnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC001169860237 928483031 /nfs/dbraw/zinc/48/30/31/928483031.db2.gz RXSUPMLZHMLGAM-UHFFFAOYSA-N -1 3 267.266 1.210 10 10 CDCEHM C[C@@H]1[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000293865926 378600433 /nfs/dbraw/zinc/60/04/33/378600433.db2.gz AOGWDQKEMAFSFY-DTWKUNHWSA-N -1 3 298.364 1.244 10 10 CDCEHM Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c([O-])c1O ZINC000177658425 391173064 /nfs/dbraw/zinc/17/30/64/391173064.db2.gz XGERQMVDLKJYHC-UWVGGRQHSA-N -1 3 265.309 1.656 10 10 CDCEHM Cc1ccc(C(=O)N2CCO[C@H](C3CC3)C2)c([O-])c1O ZINC000372490825 391854508 /nfs/dbraw/zinc/85/45/08/391854508.db2.gz MQZBSLYPUWYWRX-LBPRGKRZSA-N -1 3 277.320 1.657 10 10 CDCEHM C[C@H](NCc1cccc(F)c1[O-])C(=O)NC(C)(C)C ZINC000135888251 393313569 /nfs/dbraw/zinc/31/35/69/393313569.db2.gz AAVISOIRFMNACU-VIFPVBQESA-N -1 3 268.332 1.924 10 10 CDCEHM Cc1ccc(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c([O-])c1O ZINC000189359791 329380147 /nfs/dbraw/zinc/38/01/47/329380147.db2.gz KGVQIOLDKXQOEE-YUSALJHKSA-N -1 3 277.320 1.704 10 10 CDCEHM C[C@H](O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000230106984 333314628 /nfs/dbraw/zinc/31/46/28/333314628.db2.gz HJIUNJCOERGXAF-VIFPVBQESA-N -1 3 265.309 1.331 10 10 CDCEHM COc1cc2c(c([O-])c1CO)C(=O)c1ccccc1C2=O ZINC000013327787 560214447 /nfs/dbraw/zinc/21/44/47/560214447.db2.gz TYKBLFIFAWWLCZ-UHFFFAOYSA-N -1 3 284.267 1.669 10 10 biogenic,in-vitro CDCEHM COc1cccc([O-])c1CN1CCN2C(=O)OCC[C@@H]2C1 ZINC000770393263 575444419 /nfs/dbraw/zinc/44/44/19/575444419.db2.gz SGYGBMLPJADFBU-LLVKDONJSA-N -1 3 292.335 1.427 10 10 CDCEHM O=C(Nc1cnn(-c2ncccn2)c1)c1cc([O-])cs1 ZINC000738549264 576087325 /nfs/dbraw/zinc/08/73/25/576087325.db2.gz QKBWPCFMGOTZGN-UHFFFAOYSA-N -1 3 287.304 1.682 10 10 CDCEHM COc1cccc([O-])c1CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000769468107 576356555 /nfs/dbraw/zinc/35/65/55/576356555.db2.gz AGEPGEQCKJXENK-NSHDSACASA-N -1 3 299.392 1.267 10 10 CDCEHM Cc1cc(Cl)cc(CNCc2cc(C(N)=O)no2)c1[O-] ZINC000757906165 577060252 /nfs/dbraw/zinc/06/02/52/577060252.db2.gz LCLBRBVLQBGTMH-UHFFFAOYSA-N -1 3 295.726 1.731 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CC[C@H](O)[C@@H](F)C2)c1[O-] ZINC000934573782 617664271 /nfs/dbraw/zinc/66/42/71/617664271.db2.gz HBUVPCPBJHVESE-STQMWFEESA-N -1 3 285.290 1.639 10 10 CDCEHM CCOC(=O)[C@H](CC)C(=O)NCc1c([O-])cccc1F ZINC000928705550 620503599 /nfs/dbraw/zinc/50/35/99/620503599.db2.gz JSCXPMFSMXEQHR-SECBINFHSA-N -1 3 283.299 1.737 10 10 CDCEHM C[C@H]1C[C@H]1c1noc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000902946235 625631776 /nfs/dbraw/zinc/63/17/76/625631776.db2.gz YZRJZRPTXIFEIE-JGVFFNPUSA-N -1 3 291.282 1.968 10 10 CDCEHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CCOC1 ZINC000920474015 632793553 /nfs/dbraw/zinc/79/35/53/632793553.db2.gz WMXUJRFYMHCHEB-NXEZZACHSA-N -1 3 282.315 1.756 10 10 CDCEHM O=C(NCCCOc1ncccn1)c1cccc(O)c1[O-] ZINC001639344084 1166926956 /nfs/dbraw/zinc/92/69/56/1166926956.db2.gz DWLBEJNLIHVFMO-UHFFFAOYSA-N -1 3 289.291 1.087 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1nccn2ccnc12 ZINC001646034979 1167618296 /nfs/dbraw/zinc/61/82/96/1167618296.db2.gz QIEKINZWFWASSV-UHFFFAOYSA-N -1 3 286.266 1.504 10 10 CDCEHM CC(C)[C@@](C)(CO)NC(=O)c1cccc(O)c1[O-] ZINC000398610623 711867262 /nfs/dbraw/zinc/86/72/62/711867262.db2.gz PPTWBUAGQUYNHB-CYBMUJFWSA-N -1 3 253.298 1.235 10 10 CDCEHM CC(=O)N[C@](C)(C(=O)NCc1c([O-])cccc1F)C(C)C ZINC000830180743 711887127 /nfs/dbraw/zinc/88/71/27/711887127.db2.gz RWXNHPFISIGXGK-HNNXBMFYSA-N -1 3 296.342 1.698 10 10 CDCEHM CC(=O)C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000808523386 712010111 /nfs/dbraw/zinc/01/01/11/712010111.db2.gz GLYLUVAJNIQFMB-UHFFFAOYSA-N -1 3 274.631 1.500 10 10 CDCEHM CN(C)C(=O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000776603153 712063579 /nfs/dbraw/zinc/06/35/79/712063579.db2.gz UJAHNHSJIQYDSF-UHFFFAOYSA-N -1 3 292.335 1.038 10 10 CDCEHM COC[C@H]1C(=O)N[C@H](c2cc(Cl)c(C)cc2[O-])N1C ZINC000849182293 712300510 /nfs/dbraw/zinc/30/05/10/712300510.db2.gz FYZKZNHELPFZTJ-JQWIXIFHSA-N -1 3 284.743 1.429 10 10 CDCEHM COC(=O)C1=CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000862662300 712333975 /nfs/dbraw/zinc/33/39/75/712333975.db2.gz UZIKTBDTRLHFRW-SECBINFHSA-N -1 3 277.276 1.089 10 10 CDCEHM Cc1cc([O-])c(CN2CCn3ncnc3C2)c(Cl)c1 ZINC000840938323 712421400 /nfs/dbraw/zinc/42/14/00/712421400.db2.gz NGKUEYVEROEGPS-UHFFFAOYSA-N -1 3 278.743 1.961 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000928706172 712452073 /nfs/dbraw/zinc/45/20/73/712452073.db2.gz OQOSAVFMCHEOAW-KKFJDGPESA-N -1 3 265.284 1.715 10 10 CDCEHM COC[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000846046761 712472050 /nfs/dbraw/zinc/47/20/50/712472050.db2.gz ALQYEHUEPWKEKY-VHSXEESVSA-N -1 3 289.734 1.766 10 10 CDCEHM CC(C)NC(=O)[C@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000703417089 712717125 /nfs/dbraw/zinc/71/71/25/712717125.db2.gz IBVOPVPASWHXME-QMMMGPOBSA-N -1 3 272.295 1.673 10 10 CDCEHM O=C(N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1cccc(O)c1[O-] ZINC000870482729 712718976 /nfs/dbraw/zinc/71/89/76/712718976.db2.gz JKEGJSRSQKEKBJ-WUXDQUIDSA-N -1 3 275.304 1.251 10 10 CDCEHM C/C=C/CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000863116928 712727313 /nfs/dbraw/zinc/72/73/13/712727313.db2.gz CRHXOTHTASEURD-ONEGZZNKSA-N -1 3 284.337 1.070 10 10 CDCEHM CCOC(=O)C1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC001625571464 1165915636 /nfs/dbraw/zinc/91/56/36/1165915636.db2.gz OVZFFYHUNYZISN-UHFFFAOYSA-N -1 3 293.319 1.704 10 10 CDCEHM CN1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001639105421 1166898027 /nfs/dbraw/zinc/89/80/27/1166898027.db2.gz PEQCYDKGSLQDGP-VIFPVBQESA-N -1 3 282.315 1.451 10 10 CDCEHM O=Cc1cncc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001645051071 1167361262 /nfs/dbraw/zinc/36/12/62/1167361262.db2.gz UZXKCQUROUHAIX-UHFFFAOYSA-N -1 3 274.251 1.669 10 10 CDCEHM Cc1ccc(C(=O)Nc2cnc(C(N)=O)s2)c([O-])c1O ZINC001645107244 1167367090 /nfs/dbraw/zinc/36/70/90/1167367090.db2.gz FVQAVGUOJWIQIU-UHFFFAOYSA-N -1 3 293.304 1.214 10 10 CDCEHM O=C(CCc1cn[nH]c1)NCc1c([O-])cccc1F ZINC001646034157 1167618115 /nfs/dbraw/zinc/61/81/15/1167618115.db2.gz INVDFUOHIMUTFZ-UHFFFAOYSA-N -1 3 263.272 1.503 10 10 CDCEHM CC(C)[C@](C)(CO)NC(=O)c1cccc(O)c1[O-] ZINC000398610626 900521139 /nfs/dbraw/zinc/52/11/39/900521139.db2.gz PPTWBUAGQUYNHB-ZDUSSCGKSA-N -1 3 253.298 1.235 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1ccncc1F ZINC001178413006 915428153 /nfs/dbraw/zinc/42/81/53/915428153.db2.gz KHAIDRXSAAOCPB-UHFFFAOYSA-N -1 3 264.231 1.995 10 10 CDCEHM C[C@@H]1CC[C@H](O)CN1C(=O)c1cccc(O)c1[O-] ZINC000399273415 936714701 /nfs/dbraw/zinc/71/47/01/936714701.db2.gz XGGQLYHCXXIMNU-BDAKNGLRSA-N -1 3 251.282 1.083 10 10 CDCEHM O=C(N[C@@H]1C[C@H]1C1CCOCC1)c1cccc(O)c1[O-] ZINC000830226013 922506607 /nfs/dbraw/zinc/50/66/07/922506607.db2.gz CVOSMNMUJFMZJO-NWDGAFQWSA-N -1 3 277.320 1.643 10 10 CDCEHM COC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000837170334 936831705 /nfs/dbraw/zinc/83/17/05/936831705.db2.gz FGVUQJBLGYLZLT-LLVKDONJSA-N -1 3 279.336 1.987 10 10 CDCEHM COCC1(C2CCC2)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000855532351 928437280 /nfs/dbraw/zinc/43/72/80/928437280.db2.gz PJSPRMARGZSQKX-UHFFFAOYSA-N -1 3 291.347 1.987 10 10 CDCEHM O=C1N=NC2CN(Cc3ccc4ccccc4c3[O-])CCN12 ZINC000816569284 930316344 /nfs/dbraw/zinc/31/63/44/930316344.db2.gz GDOLTEFTGAMSBB-UHFFFAOYSA-N -1 3 296.330 1.858 10 10 CDCEHM COC(=O)C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC000928175164 933123868 /nfs/dbraw/zinc/12/38/68/933123868.db2.gz MVTGHYRRIMIZMC-NXEZZACHSA-N -1 3 293.319 1.369 10 10 CDCEHM Cn1cncc1CCC(=O)NCc1c([O-])cccc1F ZINC000928707680 933174537 /nfs/dbraw/zinc/17/45/37/933174537.db2.gz GJFADKLITTUWDO-UHFFFAOYSA-N -1 3 277.299 1.514 10 10 CDCEHM CSCC[C@@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928706766 933174671 /nfs/dbraw/zinc/17/46/71/933174671.db2.gz ZNXUQWWVEZYMPT-LLVKDONJSA-N -1 3 273.329 1.262 10 10 CDCEHM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1cccc(O)c1[O-] ZINC001298765538 955242319 /nfs/dbraw/zinc/24/23/19/955242319.db2.gz VSEQBAYJLDOLLB-UHFFFAOYSA-N -1 3 285.259 1.932 10 10 CDCEHM Cc1ccc(C(=O)N2CCn3ccnc32)c([O-])c1O ZINC001454534452 968498843 /nfs/dbraw/zinc/49/88/43/968498843.db2.gz NVFINDBXQRNQGY-UHFFFAOYSA-N -1 3 259.265 1.263 10 10 CDCEHM O=C(NCc1c([O-])cccc1F)c1cnn2c1NCCC2 ZINC001529018803 968969901 /nfs/dbraw/zinc/96/99/01/968969901.db2.gz UPTZRBGFDGISFL-UHFFFAOYSA-N -1 3 290.298 1.473 10 10 CDCEHM Cc1ccc(C(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([O-])c1O ZINC000529986589 368104975 /nfs/dbraw/zinc/10/49/75/368104975.db2.gz YFUAKNGWNZKDFB-GMOBBJLQSA-N -1 3 279.336 1.948 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(C1)CCCOC2 ZINC000367648717 267106341 /nfs/dbraw/zinc/10/63/41/267106341.db2.gz LJFVPCXXOZNJJZ-OAHLLOKOSA-N -1 3 277.320 1.741 10 10 CDCEHM CC[C@@H](CO)N1CCN(Cc2c([O-])cccc2OC)CC1 ZINC000769503478 575353554 /nfs/dbraw/zinc/35/35/54/575353554.db2.gz ZPCHSVOTJRVCEU-ZDUSSCGKSA-N -1 3 294.395 1.289 10 10 CDCEHM Cn1ccnc1CN1CCN(Cc2ccccc2[O-])CC1 ZINC000770510897 575458047 /nfs/dbraw/zinc/45/80/47/575458047.db2.gz URTKXROFYGXFIT-UHFFFAOYSA-N -1 3 286.379 1.444 10 10 CDCEHM CC1(CNC(=O)c2cc([O-])cs2)OCCCO1 ZINC000754454090 576897373 /nfs/dbraw/zinc/89/73/73/576897373.db2.gz OFFNWIAQRZWVHK-UHFFFAOYSA-N -1 3 257.311 1.337 10 10 CDCEHM CCC(=O)N[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712087 620507049 /nfs/dbraw/zinc/50/70/49/620507049.db2.gz OMKZKPWQAUCKKL-QMMMGPOBSA-N -1 3 268.288 1.062 10 10 CDCEHM CCC(C)(C)[C@H](O)C(=O)NCc1c([O-])cccc1F ZINC000928712794 620507756 /nfs/dbraw/zinc/50/77/56/620507756.db2.gz VELARDRPXQEXMO-GFCCVEGCSA-N -1 3 269.316 1.945 10 10 CDCEHM COC[C@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000919508395 632611542 /nfs/dbraw/zinc/61/15/42/632611542.db2.gz FSPNOHGNAIUBPR-SECBINFHSA-N -1 3 270.304 1.613 10 10 CDCEHM C[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921754431 633268043 /nfs/dbraw/zinc/26/80/43/633268043.db2.gz LCHHJONOWWSOON-ZJUUUORDSA-N -1 3 282.315 1.898 10 10 CDCEHM O=C(Nc1ccc2nccn2c1)c1cccc(O)c1[O-] ZINC000790706660 1162167852 /nfs/dbraw/zinc/16/78/52/1162167852.db2.gz GQJFGWPHPZLEDM-UHFFFAOYSA-N -1 3 269.260 1.998 10 10 CDCEHM O=C(Nc1ccc(-n2cnnc2)cc1)c1cccc(O)c1[O-] ZINC001633944724 1166461037 /nfs/dbraw/zinc/46/10/37/1166461037.db2.gz JCLXKUGZPLTECG-UHFFFAOYSA-N -1 3 296.286 1.931 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCN(C2CC2)CC1 ZINC000126289657 1165960130 /nfs/dbraw/zinc/96/01/30/1165960130.db2.gz PLYAWVAXZDTMIN-UHFFFAOYSA-N -1 3 262.309 1.018 10 10 CDCEHM O=C(NC[C@@H]1CC[C@H](C2CC2)O1)c1cccc(O)c1[O-] ZINC000722317641 900806521 /nfs/dbraw/zinc/80/65/21/900806521.db2.gz VCLONRXVXMCIBU-GXFFZTMASA-N -1 3 277.320 1.785 10 10 CDCEHM C[C@@H]1COCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922202965 921351426 /nfs/dbraw/zinc/35/14/26/921351426.db2.gz SVOKUKSATFPUSI-BXKDBHETSA-N -1 3 282.315 1.756 10 10 CDCEHM CCCN(C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452653 914936676 /nfs/dbraw/zinc/93/66/76/914936676.db2.gz VHQFZHXFIWHMLL-UHFFFAOYSA-N -1 3 276.333 1.208 10 10 CDCEHM C[C@@H](NCc1cnn(C)n1)c1ccc(F)cc1[O-] ZINC000389818601 936648891 /nfs/dbraw/zinc/64/88/91/936648891.db2.gz WEPDTEBPNSSSJG-MRVPVSSYSA-N -1 3 250.277 1.511 10 10 CDCEHM CCC(CC)(CO)C(=O)NCc1c([O-])cccc1F ZINC000928706662 933172818 /nfs/dbraw/zinc/17/28/18/933172818.db2.gz ULLJKKLKAUZYGV-UHFFFAOYSA-N -1 3 269.316 1.946 10 10 CDCEHM O=C(/C=C\CN1CCOCC1)NCc1c([O-])cccc1F ZINC000928705704 933172889 /nfs/dbraw/zinc/17/28/89/933172889.db2.gz LFRCSDSOUAMASE-DJWKRKHSSA-N -1 3 294.326 1.036 10 10 CDCEHM Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1[N+](=O)[O-] ZINC001298874703 955253478 /nfs/dbraw/zinc/25/34/78/955253478.db2.gz BZOSTUZJSFPZKY-UHFFFAOYSA-N -1 3 289.247 1.841 10 10 CDCEHM Cn1nnc(NC(=O)c2cccc(O)c2[O-])c1C(F)F ZINC001456806235 969058446 /nfs/dbraw/zinc/05/84/46/969058446.db2.gz FHGYLWQGRQSPEO-UHFFFAOYSA-N -1 3 284.222 1.416 10 10 CDCEHM COc1ccncc1NC(=O)c1cccc(O)c1[O-] ZINC001598120649 1174307220 /nfs/dbraw/zinc/30/72/20/1174307220.db2.gz FGAARUMHPSZLML-UHFFFAOYSA-N -1 3 260.249 1.754 10 10 CDCEHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1CC(F)F ZINC000286664060 368929986 /nfs/dbraw/zinc/92/99/86/368929986.db2.gz HKXWLMHPSCRXLT-MRVPVSSYSA-N -1 3 287.262 1.594 10 10 CDCEHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)C(F)F ZINC000295388208 378673355 /nfs/dbraw/zinc/67/33/55/378673355.db2.gz FVZQNMGBBDBTKS-GMSGAONNSA-N -1 3 275.251 1.232 10 10 CDCEHM C[C@@H](NCc1cccc(F)c1[O-])c1nnc2n1CCC2 ZINC000165017193 331305645 /nfs/dbraw/zinc/30/56/45/331305645.db2.gz ZWDXDDARMVIOPF-SECBINFHSA-N -1 3 276.315 1.920 10 10 CDCEHM O=C(N[C@H]1CCO[C@@H]1C1CC1)c1cccc(O)c1[O-] ZINC000229416881 333304892 /nfs/dbraw/zinc/30/48/92/333304892.db2.gz REVMKEFHJHHDQJ-GXFFZTMASA-N -1 3 263.293 1.395 10 10 CDCEHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1F ZINC000790921295 1162175264 /nfs/dbraw/zinc/17/52/64/1162175264.db2.gz FFQNXWRTESKXBL-WPRPVWTQSA-N -1 3 253.273 1.918 10 10 CDCEHM COc1cccc(CNC2(c3nn[n-]n3)CCCC2)c1O ZINC000735407116 575465905 /nfs/dbraw/zinc/46/59/05/575465905.db2.gz CQDZKLVBYIKHBA-UHFFFAOYSA-N -1 3 289.339 1.473 10 10 CDCEHM COc1cccc(CNC2(c3nnn[n-]3)CCCC2)c1O ZINC000735407116 575465908 /nfs/dbraw/zinc/46/59/08/575465908.db2.gz CQDZKLVBYIKHBA-UHFFFAOYSA-N -1 3 289.339 1.473 10 10 CDCEHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2CCO)c1[O-] ZINC000767588795 576208193 /nfs/dbraw/zinc/20/81/93/576208193.db2.gz NSBYNPLNWJJXGF-CYBMUJFWSA-N -1 3 297.326 1.317 10 10 CDCEHM CCO[C@@H](C(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000928709748 620506292 /nfs/dbraw/zinc/50/62/92/620506292.db2.gz FJNWUDZXTNDCAT-CYBMUJFWSA-N -1 3 267.300 1.963 10 10 CDCEHM CCOC1(C(=O)NCc2c([O-])cccc2F)CCOCC1 ZINC000928712584 620507718 /nfs/dbraw/zinc/50/77/18/620507718.db2.gz SIMKWJAJAOLDHF-UHFFFAOYSA-N -1 3 297.326 1.733 10 10 CDCEHM [O-]c1cccc(F)c1CNC(=S)NC1CCOCC1 ZINC000905660133 626905451 /nfs/dbraw/zinc/90/54/51/626905451.db2.gz DKLZYKZRALJQCB-UHFFFAOYSA-N -1 3 284.356 1.674 10 10 CDCEHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])Cc2c[nH]nc21 ZINC000913587456 630678282 /nfs/dbraw/zinc/67/82/82/630678282.db2.gz RFVFORCFBUPDIQ-MRVPVSSYSA-N -1 3 273.292 1.580 10 10 CDCEHM CO[C@H]1CC[C@H]1N(C)C(=O)c1cccc(O)c1[O-] ZINC000724127248 1159077710 /nfs/dbraw/zinc/07/77/10/1159077710.db2.gz GUBGIWIRHORDRW-KOLCDFICSA-N -1 3 251.282 1.347 10 10 CDCEHM CN(C)c1ncccc1C(=O)NCc1c([O-])cccc1F ZINC001635360246 1166581548 /nfs/dbraw/zinc/58/15/48/1166581548.db2.gz FVSJBVFIMJMRHP-UHFFFAOYSA-N -1 3 289.310 1.922 10 10 CDCEHM Cn1ccnc(NCc2ccc3cccnc3c2[O-])c1=O ZINC001640050585 1166989709 /nfs/dbraw/zinc/98/97/09/1166989709.db2.gz CWROXQAKRWIHSD-UHFFFAOYSA-N -1 3 282.303 1.646 10 10 CDCEHM Cc1cc(=O)[n-]c(CNC(=O)c2ccc(C)c(O)c2O)n1 ZINC001640617253 1167039955 /nfs/dbraw/zinc/03/99/55/1167039955.db2.gz ANEYZXJLUGNOME-UHFFFAOYSA-N -1 3 289.291 1.140 10 10 CDCEHM