smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140466120 777190553 /nfs/dbraw/zinc/19/05/53/777190553.db2.gz XROVLAIVCSKDQT-GFCCVEGCSA-N -1 3 303.811 2.055 20 10 DECDHM [O-]c1cc(F)c(Br)cc1CN1CCN2CC[C@H]2C1 ZINC001144308642 790856940 /nfs/dbraw/zinc/85/69/40/790856940.db2.gz RYCKDYOIRMIHJB-JTQLQIEISA-N -1 3 315.186 2.184 20 10 DECDHM CCOC(=O)C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1C ZINC001148218431 791711935 /nfs/dbraw/zinc/71/19/35/791711935.db2.gz CMLXVDXFFAKPTJ-VXGBXAGGSA-N -1 3 321.373 2.149 20 10 DECDHM O=C(Nc1nsc2ncccc12)c1cc(O)c([O-])c(O)c1 ZINC001148579994 791776459 /nfs/dbraw/zinc/77/64/59/791776459.db2.gz DHTZBITXSVTFBA-UHFFFAOYSA-N -1 3 303.299 2.060 20 10 DECDHM [O-]c1cccc(F)c1CN1CCN(Cc2cccnc2)CC1 ZINC001137831716 796144236 /nfs/dbraw/zinc/14/42/36/796144236.db2.gz KWYWUICQSQAJPY-UHFFFAOYSA-N -1 3 301.365 2.244 20 10 DECDHM COC[C@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC001203650445 796468772 /nfs/dbraw/zinc/46/87/72/796468772.db2.gz SYBIMWRWAKLYFY-LBPRGKRZSA-N -1 3 316.195 2.002 20 10 DECDHM CCOC[C@H]1CN(Cc2cc(F)ccc2[O-])Cc2ncn(C)c21 ZINC001140063171 796472391 /nfs/dbraw/zinc/47/23/91/796472391.db2.gz MFEIBGMHQAWGCI-CYBMUJFWSA-N -1 3 319.380 2.401 20 10 DECDHM Cn1cnc2c1CN(Cc1c([O-])cccc1Br)CC2 ZINC001140102176 796477276 /nfs/dbraw/zinc/47/72/76/796477276.db2.gz KFSFODFKOYVEGF-UHFFFAOYSA-N -1 3 322.206 2.447 20 10 DECDHM COc1cccc(CNC(=O)c2c([O-])cccc2OC)c1O ZINC001150543602 796952334 /nfs/dbraw/zinc/95/23/34/796952334.db2.gz QTHUOFXPERUTAN-UHFFFAOYSA-N -1 3 303.314 2.045 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ncn(-c2ccccc2)n1 ZINC001156170861 797938274 /nfs/dbraw/zinc/93/82/74/797938274.db2.gz VGNCIVPLOCPBPG-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM COC(=O)c1sccc1C(=O)NCc1c([O-])cccc1F ZINC001156178015 797939709 /nfs/dbraw/zinc/93/97/09/797939709.db2.gz SCNQHCMMMFXBCG-UHFFFAOYSA-N -1 3 309.318 2.309 20 10 DECDHM COC(=O)c1cn2c(n1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203664686 800101640 /nfs/dbraw/zinc/10/16/40/800101640.db2.gz PYURLYUMPCVMOA-UHFFFAOYSA-N -1 3 321.764 2.045 20 10 DECDHM COc1cc([O-])c(CN2CCc3ncncc3C2)cc1Cl ZINC001232269575 801835710 /nfs/dbraw/zinc/83/57/10/801835710.db2.gz FGRBPSLDNIKZPI-UHFFFAOYSA-N -1 3 305.765 2.403 20 10 DECDHM [O-]c1c(O)cc(-c2nc(-c3ccc4nccnc4c3)no2)cc1O ZINC001215327487 801836188 /nfs/dbraw/zinc/83/61/88/801836188.db2.gz DCFWJIALLNTPMR-UHFFFAOYSA-N -1 3 322.280 2.464 20 10 DECDHM Cc1cc2n(n1)c(=O)cc(C)n2Cc1c([O-])ccc(F)c1F ZINC001233334494 802079131 /nfs/dbraw/zinc/07/91/31/802079131.db2.gz JNCKMWHAEVHTAQ-UHFFFAOYSA-N -1 3 305.284 2.145 20 10 DECDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3C[C@H](O)C3)cccc21 ZINC001218361154 802172366 /nfs/dbraw/zinc/17/23/66/802172366.db2.gz UYDVNAAGLYIPTK-MGCOHNPYSA-N -1 3 310.305 2.070 20 10 DECDHM CN1CC[C@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226380147 803101190 /nfs/dbraw/zinc/10/11/90/803101190.db2.gz OCCSMRUBGPBKDN-NSHDSACASA-N -1 3 323.348 2.251 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@H]1COCO1 ZINC001227937228 803297319 /nfs/dbraw/zinc/29/73/19/803297319.db2.gz GFKFWSVICAKGQG-GFCCVEGCSA-N -1 3 316.309 2.081 20 10 DECDHM O=C([O-])C1CC2(C1)CC[C@H](C[NH2+][C@H]1CCc3cccc([O-])c31)O2 ZINC001594906245 954677581 /nfs/dbraw/zinc/67/75/81/954677581.db2.gz WITZBZJAAYFNSB-NTXUUIFSSA-N -1 3 317.385 2.382 20 10 DECDHM CCOc1ccc(C[NH2+][C@H](C[C@H]2CCCOC2)C(=O)[O-])c([O-])c1 ZINC001597101482 986718072 /nfs/dbraw/zinc/71/80/72/986718072.db2.gz VWDANPHHRDQRMR-IUODEOHRSA-N -1 3 323.389 2.150 20 10 DECDHM C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248246 994470747 /nfs/dbraw/zinc/47/07/47/994470747.db2.gz UCAHJBJVHISHSW-AAEUAGOBSA-N -1 3 319.357 2.185 20 10 DECDHM CO[C@]1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCSC1 ZINC001599090576 997184846 /nfs/dbraw/zinc/18/48/46/997184846.db2.gz ADPMBGFXDZDDSP-BONVTDFDSA-N -1 3 311.403 2.263 20 10 DECDHM O=C([O-])c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC001602308273 1069598758 /nfs/dbraw/zinc/59/87/58/1069598758.db2.gz IIWHNJNWMSNMQJ-NSHDSACASA-N -1 3 305.309 2.051 20 10 DECDHM C[C@@H]([NH2+][C@@H]1CCCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603659300 1070027915 /nfs/dbraw/zinc/02/79/15/1070027915.db2.gz ZXUAUHDMUXHQFO-NXEZZACHSA-N -1 3 305.407 2.119 20 10 DECDHM C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603697350 1070048938 /nfs/dbraw/zinc/04/89/38/1070048938.db2.gz YJACPSJDHCWSJZ-QWRGUYRKSA-N -1 3 319.409 2.020 20 10 DECDHM CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@@H]1CCCO1 ZINC001604055494 1070188545 /nfs/dbraw/zinc/18/85/45/1070188545.db2.gz PRDJHRHGFNRPBZ-SWHYSGLUSA-N -1 3 317.393 2.181 20 10 DECDHM CC[C@H]([NH2+]CCCCCCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604057038 1070190926 /nfs/dbraw/zinc/19/09/26/1070190926.db2.gz XXYMRVWPAFNBSQ-AWEZNQCLSA-N -1 3 319.409 2.166 20 10 DECDHM Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607500604 1071462234 /nfs/dbraw/zinc/46/22/34/1071462234.db2.gz VKDGZPGOOYEKQK-LLVKDONJSA-N -1 3 303.362 2.405 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ocnc1C(F)(F)F ZINC001471976331 1060352896 /nfs/dbraw/zinc/35/28/96/1060352896.db2.gz WTNYKRZWECGVSG-UHFFFAOYSA-N -1 3 304.199 2.468 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@]1([C@H]2CCCCO2)CCCO1 ZINC001520694882 1069168266 /nfs/dbraw/zinc/16/82/66/1069168266.db2.gz KORMBTIRWNXEAI-NVXWUHKLSA-N -1 3 323.364 2.266 20 10 DECDHM CC(=O)c1cc(F)cc(CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)c1[O-] ZINC001559944524 1075130857 /nfs/dbraw/zinc/13/08/57/1075130857.db2.gz QRNVGMDMZDCPBW-GARJFASQSA-N -1 3 322.380 2.173 20 10 DECDHM O=S(=O)(CCc1cccs1)NCc1c([O-])cccc1F ZINC001561947272 1075157083 /nfs/dbraw/zinc/15/70/83/1075157083.db2.gz PVHHXYPASHOXEF-UHFFFAOYSA-N -1 3 315.391 2.255 20 10 DECDHM Oc1ccc(O)c(CNc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC001582817041 1076188157 /nfs/dbraw/zinc/18/81/57/1076188157.db2.gz XVJLJQRYMBUKJH-UHFFFAOYSA-N -1 3 301.281 2.029 20 10 DECDHM Oc1ccc(O)c(CNc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC001582817041 1076188159 /nfs/dbraw/zinc/18/81/59/1076188159.db2.gz XVJLJQRYMBUKJH-UHFFFAOYSA-N -1 3 301.281 2.029 20 10 DECDHM COC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])ccc1F ZINC001586770734 1076405192 /nfs/dbraw/zinc/40/51/92/1076405192.db2.gz DJXKIMOKDJRVLV-UHFFFAOYSA-N -1 3 305.261 2.276 20 10 DECDHM C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952823 1076535123 /nfs/dbraw/zinc/53/51/23/1076535123.db2.gz DGQYSVMIAYCJGJ-GHMZBOCLSA-N -1 3 317.393 2.181 20 10 DECDHM C[C@H]([NH2+]CC1CC(F)(F)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589974984 1076540917 /nfs/dbraw/zinc/54/09/17/1076540917.db2.gz DLEMBHVRCNRSFG-QMMMGPOBSA-N -1 3 309.320 2.268 20 10 DECDHM CN1CCc2cc(C(=O)NCc3c([O-])cccc3F)ccc21 ZINC001596911018 1077084570 /nfs/dbraw/zinc/08/45/70/1077084570.db2.gz CIYCWNYOZAUPDC-UHFFFAOYSA-N -1 3 300.333 2.454 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ncoc1-c1ccon1 ZINC001596916417 1077084866 /nfs/dbraw/zinc/08/48/66/1077084866.db2.gz GHYKYHAPSVYSJB-UHFFFAOYSA-N -1 3 303.249 2.104 20 10 DECDHM C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781027 1077922221 /nfs/dbraw/zinc/92/22/21/1077922221.db2.gz WBMKXNDRZCLGNQ-MEDUHNTESA-N -1 3 301.342 2.475 20 10 DECDHM C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780795 1077922737 /nfs/dbraw/zinc/92/27/37/1077922737.db2.gz WBMKXNDRZCLGNQ-BDJLRTHQSA-N -1 3 301.342 2.475 20 10 DECDHM C[C@H]([C@H](C)N(C)Cc1ccc(Cl)cc1[O-])S(C)(=O)=O ZINC001658517913 1080209689 /nfs/dbraw/zinc/20/96/89/1080209689.db2.gz PLJJUJQPSGKXCI-VHSXEESVSA-N -1 3 305.827 2.299 20 10 DECDHM CN(C)c1cccc(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001671691521 1081533729 /nfs/dbraw/zinc/53/37/29/1081533729.db2.gz QFBMMBBSHFFQMY-UHFFFAOYSA-N -1 3 324.377 2.076 20 10 DECDHM CC(C)(C)NC(=O)[C@@H]1CC12CN(Cc1c([O-])cccc1F)C2 ZINC001277485311 1083998710 /nfs/dbraw/zinc/99/87/10/1083998710.db2.gz ZDOUBCNYZXBFCR-LBPRGKRZSA-N -1 3 306.381 2.268 20 10 DECDHM CC(C)CN(CC(N)=O)Cc1c([O-])cccc1Br ZINC000707152473 1086662574 /nfs/dbraw/zinc/66/25/74/1086662574.db2.gz MMHQMFBWADOMHO-UHFFFAOYSA-N -1 3 315.211 2.098 20 10 DECDHM COCCCN1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237799230 1138791609 /nfs/dbraw/zinc/79/16/09/1138791609.db2.gz PUGWUFFGKHUPFV-UHFFFAOYSA-N -1 3 316.804 2.339 20 10 DECDHM COc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)cc(OC)c1 ZINC000586736734 1144381965 /nfs/dbraw/zinc/38/19/65/1144381965.db2.gz NCEPESCQTPEVDO-UHFFFAOYSA-N -1 3 305.286 2.073 20 10 DECDHM COc1cccc(C(=O)NCc2c([O-])cccc2F)c1OC ZINC001303877454 1147337151 /nfs/dbraw/zinc/33/71/51/1147337151.db2.gz DMECPUPIMKDIPE-UHFFFAOYSA-N -1 3 305.305 2.479 20 10 DECDHM COc1cccc(COCC(=O)NCc2c([O-])cccc2F)c1 ZINC001303879208 1147337269 /nfs/dbraw/zinc/33/72/69/1147337269.db2.gz UZCFHCWHBNQQQN-UHFFFAOYSA-N -1 3 319.332 2.373 20 10 DECDHM COc1c([O-])c(CN[C@H](C)c2nccnc2C)ccc1[N+](=O)[O-] ZINC001308928800 1147489734 /nfs/dbraw/zinc/48/97/34/1147489734.db2.gz UEHXQRWWPDODBM-SNVBAGLBSA-N -1 3 318.333 2.258 20 10 DECDHM CCn1cc([C@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cn1 ZINC000294839406 224256568 /nfs/dbraw/zinc/25/65/68/224256568.db2.gz MHHQCLWGCMPOGD-JTQLQIEISA-N -1 3 320.349 2.376 20 10 DECDHM Cc1cc(C)nc(N2CCN(Cc3cccc(F)c3[O-])CC2)n1 ZINC000272811287 130066549 /nfs/dbraw/zinc/06/65/49/130066549.db2.gz ASJIWGYBHHDQRT-UHFFFAOYSA-N -1 3 316.380 2.260 20 10 DECDHM C[C@H](NCc1nncn1C)c1cc(Br)ccc1[O-] ZINC000273377012 130113564 /nfs/dbraw/zinc/11/35/64/130113564.db2.gz HKMVZIUCRVCBTF-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM CC(C)(C)CNC(=O)C(C)(C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000121311837 402027721 /nfs/dbraw/zinc/02/77/21/402027721.db2.gz HZUNQBRQVUMQJK-UHFFFAOYSA-N -1 3 323.393 2.331 20 10 DECDHM CCN(Cc1c([O-])cccc1Cl)[C@H](C)CS(C)(=O)=O ZINC000126230200 402270628 /nfs/dbraw/zinc/27/06/28/402270628.db2.gz CQQOSUCKJSKEOU-SNVBAGLBSA-N -1 3 305.827 2.301 20 10 DECDHM CC[C@H](C)NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000176798053 402338369 /nfs/dbraw/zinc/33/83/69/402338369.db2.gz CZQITVOWBMZTJJ-HOCLYGCPSA-N -1 3 320.433 2.288 20 10 DECDHM CCN(C)C(=O)CN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000186809049 402465576 /nfs/dbraw/zinc/46/55/76/402465576.db2.gz ALTMTPSERPDIBM-VIFPVBQESA-N -1 3 315.211 2.284 20 10 DECDHM Cn1cc2c(n1)CCC[C@@H]2NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000280046323 402966601 /nfs/dbraw/zinc/96/66/01/402966601.db2.gz JIHCVRCYCSQSEU-ZDUSSCGKSA-N -1 3 302.334 2.201 20 10 DECDHM [O-]c1cccc(Cl)c1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000271193936 403276784 /nfs/dbraw/zinc/27/67/84/403276784.db2.gz RTYZVDMXDWPLOC-ZDUSSCGKSA-N -1 3 310.825 2.200 20 10 DECDHM COc1cc(Br)cc(CN2CCCOCC2)c1[O-] ZINC000374323835 404704844 /nfs/dbraw/zinc/70/48/44/404704844.db2.gz JQEFXSZJKMMFLS-UHFFFAOYSA-N -1 3 316.195 2.386 20 10 DECDHM C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cccc(Cl)c1[O-] ZINC000377633477 404841274 /nfs/dbraw/zinc/84/12/74/404841274.db2.gz UVVAQXSWAFHJDL-GXTWGEPZSA-N -1 3 310.825 2.341 20 10 DECDHM CCN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736510065 598610280 /nfs/dbraw/zinc/61/02/80/598610280.db2.gz PTCDDAVBAYEINB-UHFFFAOYSA-N -1 3 324.388 2.366 20 10 DECDHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)ccc1O ZINC000826186299 609480976 /nfs/dbraw/zinc/48/09/76/609480976.db2.gz MUHNBBFHKSRXCF-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM O=C(NCc1ccc(-n2cccn2)cc1)c1cccc(O)c1[O-] ZINC000186930225 625411828 /nfs/dbraw/zinc/41/18/28/625411828.db2.gz DJCIAISTCNRJRX-UHFFFAOYSA-N -1 3 309.325 2.214 20 10 DECDHM COc1ccccc1CCN(C)C(=O)c1cccc(O)c1[O-] ZINC000193022385 625597501 /nfs/dbraw/zinc/59/75/01/625597501.db2.gz ISIAYCVYJDVDBH-UHFFFAOYSA-N -1 3 301.342 2.421 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)c([O-])c1O ZINC000179419876 625645504 /nfs/dbraw/zinc/64/55/04/625645504.db2.gz DIENJSRBFOVXJJ-UHFFFAOYSA-N -1 3 324.340 2.298 20 10 DECDHM C[C@H](Nc1cc(=O)[n-]cn1)c1ccc(N2CCOCC2)cc1 ZINC000892025024 624748571 /nfs/dbraw/zinc/74/85/71/624748571.db2.gz JOTZEVZVKRVGMU-LBPRGKRZSA-N -1 3 300.362 2.192 20 10 DECDHM CC[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1O ZINC000894096799 636112939 /nfs/dbraw/zinc/11/29/39/636112939.db2.gz ZZSSJIWXXBBMMG-QPUJVOFHSA-N -1 3 318.186 2.497 20 10 DECDHM CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C[C@@H]21 ZINC000896445757 638527000 /nfs/dbraw/zinc/52/70/00/638527000.db2.gz YQRAOGLVKSQSJV-NTZNESFSSA-N -1 3 311.328 2.301 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(C)ncn2)c1 ZINC000756776838 639693845 /nfs/dbraw/zinc/69/38/45/639693845.db2.gz SGKNTGRMYSKXPT-LLVKDONJSA-N -1 3 301.346 2.128 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)CN1CCO ZINC000841891680 650595764 /nfs/dbraw/zinc/59/57/64/650595764.db2.gz OOLYHWZQKAPSRL-MNOVXSKESA-N -1 3 316.804 2.072 20 10 DECDHM CC(=O)c1cn(C2CN(Cc3cc(Cl)c(C)cc3[O-])C2)nn1 ZINC000897941178 640981440 /nfs/dbraw/zinc/98/14/40/640981440.db2.gz QQHUSRLIGZVPMZ-UHFFFAOYSA-N -1 3 320.780 2.205 20 10 DECDHM CS(=O)(=O)[C@@H]1CCCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000775194778 642015244 /nfs/dbraw/zinc/01/52/44/642015244.db2.gz YQAHILOWQMQDHW-CYBMUJFWSA-N -1 3 317.838 2.445 20 10 DECDHM COC(=O)[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1C ZINC000775723616 642085267 /nfs/dbraw/zinc/08/52/67/642085267.db2.gz JFKAWLSXQAHQHS-KWQFWETISA-N -1 3 301.745 2.426 20 10 DECDHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)C(=O)NC(C)(C)C)c1[O-] ZINC000776856001 642213420 /nfs/dbraw/zinc/21/34/20/642213420.db2.gz OHRVCZIAPGHBOF-SNVBAGLBSA-N -1 3 324.396 2.469 20 10 DECDHM O=S1(=O)CCN(Cc2cc(F)ccc2[O-])[C@@H]2CCCC[C@H]21 ZINC000779018595 642455561 /nfs/dbraw/zinc/45/55/61/642455561.db2.gz MOGKWWVTVSCTEI-UKRRQHHQSA-N -1 3 313.394 2.073 20 10 DECDHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC000788476939 643614603 /nfs/dbraw/zinc/61/46/03/643614603.db2.gz HRZNLMUALRRATC-UHFFFAOYSA-N -1 3 320.370 2.282 20 10 DECDHM COc1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)[O-])C23CCC3)c([O-])c1 ZINC000904237165 643615931 /nfs/dbraw/zinc/61/59/31/643615931.db2.gz ZVZNKGHXTLJLHP-KGLIPLIRSA-N -1 3 306.362 2.069 20 10 DECDHM Cc1cccn2cc(CCNC(=O)c3cccc(O)c3[O-])nc12 ZINC000790838909 643902520 /nfs/dbraw/zinc/90/25/20/643902520.db2.gz KEGPKUDHTCIONX-UHFFFAOYSA-N -1 3 311.341 2.026 20 10 DECDHM O=C(NCCCNc1ccccc1F)c1cccc(O)c1[O-] ZINC000790929745 643910113 /nfs/dbraw/zinc/91/01/13/643910113.db2.gz BAAJGWYBBXFCLD-UHFFFAOYSA-N -1 3 304.321 2.469 20 10 DECDHM C[C@H](O)CN1CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H](C)C1 ZINC000793591059 644276545 /nfs/dbraw/zinc/27/65/45/644276545.db2.gz QMWDDHWHMCZHOV-QWRGUYRKSA-N -1 3 316.804 2.072 20 10 DECDHM C[C@H](O)CN1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC000793589682 644277231 /nfs/dbraw/zinc/27/72/31/644277231.db2.gz LYDYFWAVHCCFLS-MNOVXSKESA-N -1 3 316.804 2.072 20 10 DECDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000156399236 646418790 /nfs/dbraw/zinc/41/87/90/646418790.db2.gz QHJUANSMJBGZMV-UHFFFAOYSA-N -1 3 320.370 2.460 20 10 DECDHM CCCN(CC(N)=O)Cc1cc(C)cc(Br)c1[O-] ZINC000814177802 646857637 /nfs/dbraw/zinc/85/76/37/646857637.db2.gz PDHVTMLTEIPPHS-UHFFFAOYSA-N -1 3 315.211 2.160 20 10 DECDHM CCOC(=O)[C@@H]1CN(Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513783 647145504 /nfs/dbraw/zinc/14/55/04/647145504.db2.gz BMPVGLFMWFJGMT-INIZCTEOSA-N -1 3 315.369 2.309 20 10 DECDHM C[C@H]1CN(Cc2ccc3ccccc3c2[O-])CCS1(=O)=O ZINC000816513558 647145719 /nfs/dbraw/zinc/14/57/19/647145719.db2.gz UNKOXAHYDPZCSM-LBPRGKRZSA-N -1 3 305.399 2.164 20 10 DECDHM CC[C@@H]1CN(C)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000816660401 647164703 /nfs/dbraw/zinc/16/47/03/647164703.db2.gz CEVKCIWOMWJDFN-GFCCVEGCSA-N -1 3 313.785 2.480 20 10 DECDHM CO[C@H](CC(C)C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921451301 648320199 /nfs/dbraw/zinc/32/01/99/648320199.db2.gz NGXPXUNDXCDPKJ-LLVKDONJSA-N -1 3 319.398 2.012 20 10 DECDHM Cc1cc([O-])c(CN2CCN(C(=O)N(C)C)CC2)cc1Cl ZINC000824556442 648609867 /nfs/dbraw/zinc/60/98/67/648609867.db2.gz UFALRRGYINICPE-UHFFFAOYSA-N -1 3 311.813 2.153 20 10 DECDHM CS(=O)(=O)C[C@@H]1CCCCN1Cc1c([O-])cccc1Cl ZINC000824913534 648671645 /nfs/dbraw/zinc/67/16/45/648671645.db2.gz AJJDIBSVPRBKEO-NSHDSACASA-N -1 3 317.838 2.445 20 10 DECDHM Cc1cc([O-])c(CN2CC(n3cc([C@@H](C)O)nn3)C2)cc1Cl ZINC000825461747 648765459 /nfs/dbraw/zinc/76/54/59/648765459.db2.gz NSBVJDPTVOPYJF-SNVBAGLBSA-N -1 3 322.796 2.056 20 10 DECDHM Cc1nnc(CN(C)Cc2cc(Br)ccc2[O-])o1 ZINC000827039394 648963074 /nfs/dbraw/zinc/96/30/74/648963074.db2.gz RLNCHOTWUIQZKR-UHFFFAOYSA-N -1 3 312.167 2.478 20 10 DECDHM CC(=O)c1cc(F)cc(CN(CC(F)F)C[C@H](C)O)c1[O-] ZINC000832196561 649684014 /nfs/dbraw/zinc/68/40/14/649684014.db2.gz YKPDLCYOMCZNLF-QMMMGPOBSA-N -1 3 305.296 2.182 20 10 DECDHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000844125511 651078463 /nfs/dbraw/zinc/07/84/63/651078463.db2.gz FBJDSZRZOFAECW-MNOVXSKESA-N -1 3 321.373 2.338 20 10 DECDHM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000848345977 651453524 /nfs/dbraw/zinc/45/35/24/651453524.db2.gz AODPFBURTFAYBI-KCJUWKMLSA-N -1 3 319.279 2.328 20 10 DECDHM CCNC(=O)CN(CC)Cc1cccc(Br)c1[O-] ZINC000133617279 684221267 /nfs/dbraw/zinc/22/12/67/684221267.db2.gz JMUVJOISQYCRMW-UHFFFAOYSA-N -1 3 315.211 2.113 20 10 DECDHM CCC[C@H](C)N1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928710350 693831586 /nfs/dbraw/zinc/83/15/86/693831586.db2.gz BYMNDYKEBDHOGV-NWDGAFQWSA-N -1 3 322.380 2.185 20 10 DECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3n[n-]nc32)c1 ZINC000188551993 684359036 /nfs/dbraw/zinc/35/90/36/684359036.db2.gz XRPYZFYJXCLKSM-SECBINFHSA-N -1 3 312.329 2.163 20 10 DECDHM CCCNC(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000192985682 684462289 /nfs/dbraw/zinc/46/22/89/684462289.db2.gz QRCMCBVSXBYUBK-UHFFFAOYSA-N -1 3 314.341 2.490 20 10 DECDHM CC(C)(O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000193168208 685034215 /nfs/dbraw/zinc/03/42/15/685034215.db2.gz QJYWPMGAZBDUGW-UHFFFAOYSA-N -1 3 301.342 2.255 20 10 DECDHM CCON(CC)C(=O)CNCc1cc(Cl)c(F)cc1[O-] ZINC000862453664 686304303 /nfs/dbraw/zinc/30/43/03/686304303.db2.gz MAQVOPCFWPAWTC-UHFFFAOYSA-N -1 3 304.749 2.074 20 10 DECDHM COCCO[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877502650 690133469 /nfs/dbraw/zinc/13/34/69/690133469.db2.gz OZVUILCHDFMMPN-GFCCVEGCSA-N -1 3 301.333 2.298 20 10 DECDHM Cc1cc(=O)[nH]c(C(C)(C)NCc2ccc(F)c(F)c2[O-])n1 ZINC000877647494 690178613 /nfs/dbraw/zinc/17/86/13/690178613.db2.gz DHLTYSJYHATGIH-UHFFFAOYSA-N -1 3 309.316 2.499 20 10 DECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1c1ccccc1 ZINC000890195209 692887888 /nfs/dbraw/zinc/88/78/88/692887888.db2.gz OWRXXFNCVMOXIR-CYBMUJFWSA-N -1 3 312.369 2.449 20 10 DECDHM [O-]c1c(F)cc(F)cc1CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000894570192 692986192 /nfs/dbraw/zinc/98/61/92/692986192.db2.gz RQBDCSXMCCYJTH-OAHLLOKOSA-N -1 3 323.343 2.339 20 10 DECDHM Cc1nn(C2CCOCC2)cc1NC(=O)c1cccc(O)c1[O-] ZINC001347223805 1151049434 /nfs/dbraw/zinc/04/94/34/1151049434.db2.gz YTEMLFFMRZNKCQ-UHFFFAOYSA-N -1 3 317.345 2.207 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@](C)(O)c1ccccc1 ZINC001144684304 790994273 /nfs/dbraw/zinc/99/42/73/790994273.db2.gz ZHDZNPGJGNZVGE-APPDUMDISA-N -1 3 301.342 2.124 20 10 DECDHM CC(C)(C)OC(=O)O[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148213132 791710375 /nfs/dbraw/zinc/71/03/75/791710375.db2.gz XFLASVDXDHSGEZ-SNVBAGLBSA-N -1 3 323.345 2.264 20 10 DECDHM O=C(Nc1cn2c(cccc2Cl)n1)c1cc(O)c([O-])c(O)c1 ZINC001148582840 791777722 /nfs/dbraw/zinc/77/77/22/791777722.db2.gz NDSMBRSGILBDSI-UHFFFAOYSA-N -1 3 319.704 2.357 20 10 DECDHM CC1(C)OCCC12CCN(C(=O)c1cc(O)c([O-])c(O)c1)CC2 ZINC001148588676 791778242 /nfs/dbraw/zinc/77/82/42/791778242.db2.gz ZSMYNQCTFLXTJL-UHFFFAOYSA-N -1 3 321.373 2.225 20 10 DECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1ccccc1 ZINC001177249865 794619412 /nfs/dbraw/zinc/61/94/12/794619412.db2.gz FXCVRSMPSQGKID-DZGCQCFKSA-N -1 3 301.342 2.340 20 10 DECDHM COC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])c1ccnn1C ZINC001118577774 795200971 /nfs/dbraw/zinc/20/09/71/795200971.db2.gz TZTGCRZHFZEBGH-AWEZNQCLSA-N -1 3 323.780 2.091 20 10 DECDHM COC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC001120797797 795532598 /nfs/dbraw/zinc/53/25/98/795532598.db2.gz GWQOCCIQUAPVCA-ZDUSSCGKSA-N -1 3 305.305 2.354 20 10 DECDHM Cc1cc(C)c(CNC(=O)c2cnc3cccnc3c2[O-])c(O)c1 ZINC001153862479 797412789 /nfs/dbraw/zinc/41/27/89/797412789.db2.gz WIEXTXXVIGTQKN-UHFFFAOYSA-N -1 3 323.352 2.176 20 10 DECDHM O=C(N1CCN(Cc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC001203651240 800099478 /nfs/dbraw/zinc/09/94/78/800099478.db2.gz LJZLDMPRYHBENF-UHFFFAOYSA-N -1 3 322.714 2.252 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCn2nccc2C1 ZINC001203650377 800099740 /nfs/dbraw/zinc/09/97/40/800099740.db2.gz QNLGTQRWXCEPPD-UHFFFAOYSA-N -1 3 308.179 2.367 20 10 DECDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC001231565551 801688310 /nfs/dbraw/zinc/68/83/10/801688310.db2.gz FOMGFWMQMSUISI-UHFFFAOYSA-N -1 3 305.374 2.483 20 10 DECDHM COc1cc([O-])c(CN2CCc3c(cnn3C)C2)cc1Cl ZINC001232269276 801834848 /nfs/dbraw/zinc/83/48/48/801834848.db2.gz UPAGMSJPSHLYHH-UHFFFAOYSA-N -1 3 307.781 2.346 20 10 DECDHM COc1cc([O-])c(CN2CC(N3CC[C@H](F)C3)C2)cc1Cl ZINC001232269881 801835954 /nfs/dbraw/zinc/83/59/54/801835954.db2.gz LVNWUVDEUPIQQO-NSHDSACASA-N -1 3 314.788 2.282 20 10 DECDHM NC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415883 802111723 /nfs/dbraw/zinc/11/17/23/802111723.db2.gz MKPMIBJDQRPZHP-UHFFFAOYSA-N -1 3 317.311 2.044 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@H]1C[C@@H](O)C1 ZINC001218432704 802183031 /nfs/dbraw/zinc/18/30/31/802183031.db2.gz HVIJXNWJHBMOQK-BJHJDKERSA-N -1 3 314.337 2.479 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1COC(=O)C1 ZINC001227937082 803297683 /nfs/dbraw/zinc/29/76/83/803297683.db2.gz AMXKTXLOYQKZKA-NSHDSACASA-N -1 3 314.293 2.023 20 10 DECDHM COc1ccc(C[N@H+](CCC(=O)[O-])CC(C)C)c([O-])c1OC ZINC001599559120 998155189 /nfs/dbraw/zinc/15/51/89/998155189.db2.gz WXCULSQPQKCJSG-UHFFFAOYSA-N -1 3 311.378 2.342 20 10 DECDHM COc1ccc(C[N@@H+](CCC(=O)[O-])CC(C)C)c([O-])c1OC ZINC001599559120 998155193 /nfs/dbraw/zinc/15/51/93/998155193.db2.gz WXCULSQPQKCJSG-UHFFFAOYSA-N -1 3 311.378 2.342 20 10 DECDHM C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603465040 1069972648 /nfs/dbraw/zinc/97/26/48/1069972648.db2.gz CWKYVHHFTORWGR-UTUOFQBUSA-N -1 3 317.393 2.038 20 10 DECDHM C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603465038 1069972804 /nfs/dbraw/zinc/97/28/04/1069972804.db2.gz CWKYVHHFTORWGR-IJLUTSLNSA-N -1 3 317.393 2.038 20 10 DECDHM C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603851268 1070121456 /nfs/dbraw/zinc/12/14/56/1070121456.db2.gz WGHCEJLFKNVYGA-WOPDTQHZSA-N -1 3 317.393 2.038 20 10 DECDHM CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604023734 1070178907 /nfs/dbraw/zinc/17/89/07/1070178907.db2.gz ZXKLKHYXQDHEQJ-IINYFYTJSA-N -1 3 319.409 2.020 20 10 DECDHM O=C1C[C@H](Oc2ccc(NCc3cccc(F)c3[O-])cc2)N1 ZINC001621334462 1071176899 /nfs/dbraw/zinc/17/68/99/1071176899.db2.gz NQHVPZJQGVOCNG-HNNXBMFYSA-N -1 3 302.305 2.368 20 10 DECDHM C[C@H](O)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1F ZINC001452808537 1057147709 /nfs/dbraw/zinc/14/77/09/1057147709.db2.gz CBZOVEZHUYEXLY-XPTSAGLGSA-N -1 3 305.305 2.089 20 10 DECDHM CCCNC(=O)C1(NC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC001464747211 1059193668 /nfs/dbraw/zinc/19/36/68/1059193668.db2.gz NGLJICVRDRKGGN-UHFFFAOYSA-N -1 3 320.389 2.057 20 10 DECDHM COC(=O)c1ccc([N+](=O)[O-])c(NCc2c([O-])cccc2F)n1 ZINC001612950643 1078115079 /nfs/dbraw/zinc/11/50/79/1078115079.db2.gz UCPJVNACZFKSQH-UHFFFAOYSA-N -1 3 321.264 2.233 20 10 DECDHM CN(C)c1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001623316477 1078200606 /nfs/dbraw/zinc/20/06/06/1078200606.db2.gz VQBISMJWIFGVKD-UHFFFAOYSA-N -1 3 302.349 2.456 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cc2cc[nH]c(=O)c2s1 ZINC001635366878 1078448963 /nfs/dbraw/zinc/44/89/63/1078448963.db2.gz PMMVQQBKAUVNPY-UHFFFAOYSA-N -1 3 318.329 2.364 20 10 DECDHM O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1cccc(O)c1[O-] ZINC001540604088 1072417990 /nfs/dbraw/zinc/41/79/90/1072417990.db2.gz HEVPOHCGBLUWIU-UHFFFAOYSA-N -1 3 316.288 2.374 20 10 DECDHM CN(CCc1ccc2c(c1)OCO2)C(=O)c1cccc(O)c1[O-] ZINC001558389173 1075093125 /nfs/dbraw/zinc/09/31/25/1075093125.db2.gz RXKYDOPWWHUJSY-UHFFFAOYSA-N -1 3 315.325 2.141 20 10 DECDHM CC(=O)c1cc(F)cc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1[O-] ZINC001559944525 1075130762 /nfs/dbraw/zinc/13/07/62/1075130762.db2.gz QRNVGMDMZDCPBW-GMTAPVOTSA-N -1 3 322.380 2.173 20 10 DECDHM O=S(=O)(NCc1c([O-])cccc1F)c1cncc(Cl)c1 ZINC001561947238 1075156887 /nfs/dbraw/zinc/15/68/87/1075156887.db2.gz OWKDAKXTRBRSLB-UHFFFAOYSA-N -1 3 316.741 2.058 20 10 DECDHM C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589949969 1076532327 /nfs/dbraw/zinc/53/23/27/1076532327.db2.gz PDXMTHXRNWOBBM-SDDRHHMPSA-N -1 3 317.393 2.038 20 10 DECDHM CN(Cc1ccccc1O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001591147749 1076713917 /nfs/dbraw/zinc/71/39/17/1076713917.db2.gz UPBIPAIMRQGWPP-UHFFFAOYSA-N -1 3 317.299 2.487 20 10 DECDHM CN(Cc1ccccc1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001591147749 1076713921 /nfs/dbraw/zinc/71/39/21/1076713921.db2.gz UPBIPAIMRQGWPP-UHFFFAOYSA-N -1 3 317.299 2.487 20 10 DECDHM CSC(C)(C)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591685019 1076770782 /nfs/dbraw/zinc/77/07/82/1076770782.db2.gz MOPBNZGLUNAFSI-SECBINFHSA-N -1 3 307.423 2.365 20 10 DECDHM Cc1c(C(=O)N[C@H](C)c2ccccc2O)cccc1-c1nnn[n-]1 ZINC001591810348 1076786873 /nfs/dbraw/zinc/78/68/73/1076786873.db2.gz JSGMMSXUFUOODA-LLVKDONJSA-N -1 3 323.356 2.372 20 10 DECDHM Cc1c(C(=O)N[C@H](C)c2ccccc2O)cccc1-c1nn[n-]n1 ZINC001591810348 1076786875 /nfs/dbraw/zinc/78/68/75/1076786875.db2.gz JSGMMSXUFUOODA-LLVKDONJSA-N -1 3 323.356 2.372 20 10 DECDHM O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1cccc(O)c1[O-] ZINC001651796483 1079833750 /nfs/dbraw/zinc/83/37/50/1079833750.db2.gz RHSZAOALIUWKRI-FZMZJTMJSA-N -1 3 303.289 2.299 20 10 DECDHM O=C(Cc1csc2nccn12)NCc1c([O-])cccc1F ZINC001652298877 1079866352 /nfs/dbraw/zinc/86/63/52/1079866352.db2.gz SAMPZKQLWORQGS-UHFFFAOYSA-N -1 3 305.334 2.099 20 10 DECDHM O=C(CNCc1cc(F)cc(F)c1[O-])NCCc1ccccc1 ZINC001649139091 1091628848 /nfs/dbraw/zinc/62/88/48/1091628848.db2.gz QHAPQLUPCKKFJL-UHFFFAOYSA-N -1 3 320.339 2.119 20 10 DECDHM CN1CCC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C1=O ZINC001236805201 1138433930 /nfs/dbraw/zinc/43/39/30/1138433930.db2.gz XAVZDECUILAFJL-UHFFFAOYSA-N -1 3 315.200 2.363 20 10 DECDHM CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC001237622953 1138720492 /nfs/dbraw/zinc/72/04/92/1138720492.db2.gz FZSWGKKEQNFKIE-PJXYFTJBSA-N -1 3 313.756 2.426 20 10 DECDHM CC1CN(Cc2cccc(I)c2[O-])C1 ZINC001237774927 1138785971 /nfs/dbraw/zinc/78/59/71/1138785971.db2.gz ARGUPDSZZCKSMJ-UHFFFAOYSA-N -1 3 303.143 2.449 20 10 DECDHM COc1ccc(N2CC[C@H](Nc3nc(C)cc(=O)[n-]3)C2)cc1 ZINC001337207595 1142710240 /nfs/dbraw/zinc/71/02/40/1142710240.db2.gz FRHFDUWIUPBAGO-LBPRGKRZSA-N -1 3 300.362 2.190 20 10 DECDHM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2n[n-]nc2c1 ZINC000298413804 539858615 /nfs/dbraw/zinc/85/86/15/539858615.db2.gz RDIPQKMMPNIQBK-UHFFFAOYSA-N -1 3 321.384 2.488 20 10 DECDHM COC[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000093528197 193264376 /nfs/dbraw/zinc/26/43/76/193264376.db2.gz CYUIEPSJFIXMON-LBPRGKRZSA-N -1 3 316.195 2.002 20 10 DECDHM O=C1CCCN1[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294706463 224181537 /nfs/dbraw/zinc/18/15/37/224181537.db2.gz OMINXADSLJTKFB-NSHDSACASA-N -1 3 312.772 2.381 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@@](CO)(C(C)C)C2)c([O-])c1O ZINC000294812769 224238251 /nfs/dbraw/zinc/23/82/51/224238251.db2.gz PYJBEJSGARGLMX-QGZVFWFLSA-N -1 3 307.390 2.277 20 10 DECDHM Cc1cc(Cl)cc(CN2CCC[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000274182282 130214089 /nfs/dbraw/zinc/21/40/89/130214089.db2.gz YGYMDPNUJXJQJC-ZDUSSCGKSA-N -1 3 317.838 2.363 20 10 DECDHM COC(=O)C1(NC(=O)c2cccc(O)c2[O-])CCCCCC1 ZINC000275010130 130282130 /nfs/dbraw/zinc/28/21/30/130282130.db2.gz NCOUFRJLMHPAIX-UHFFFAOYSA-N -1 3 307.346 2.094 20 10 DECDHM C[C@@H](NCc1cnnn1C)c1cc(Br)ccc1[O-] ZINC000287515754 131284237 /nfs/dbraw/zinc/28/42/37/131284237.db2.gz ZKWZGDNNVYEBOP-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM CCc1ccc([C@@H](O)CNC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000288269743 131318690 /nfs/dbraw/zinc/31/86/90/131318690.db2.gz KEFBDTKIKCPSNR-HNNXBMFYSA-N -1 3 315.369 2.432 20 10 DECDHM CCN(CC(=O)N(C)C)Cc1cc(Br)ccc1[O-] ZINC000097989735 402133981 /nfs/dbraw/zinc/13/39/81/402133981.db2.gz YEGBYXRYZSNCJL-UHFFFAOYSA-N -1 3 315.211 2.065 20 10 DECDHM Cc1cc(Br)cc(CN2CCn3cnnc3C2)c1[O-] ZINC000124594287 402187270 /nfs/dbraw/zinc/18/72/70/402187270.db2.gz PYPXTTBNQXYHML-UHFFFAOYSA-N -1 3 323.194 2.070 20 10 DECDHM C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1[O-] ZINC000186021568 402397055 /nfs/dbraw/zinc/39/70/55/402397055.db2.gz KHGXUEWAYOLUCF-KWQFWETISA-N -1 3 320.286 2.345 20 10 DECDHM CCCOc1ncccc1CNC(=O)c1cccc(O)c1[O-] ZINC000187021468 402478392 /nfs/dbraw/zinc/47/83/92/402478392.db2.gz DBMMJXWQEOWRNP-UHFFFAOYSA-N -1 3 302.330 2.212 20 10 DECDHM CCC[C@H](CC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179483997 402591308 /nfs/dbraw/zinc/59/13/08/402591308.db2.gz LASYBMRKDGEBNO-JTQLQIEISA-N -1 3 314.407 2.072 20 10 DECDHM CC[C@@H](C(N)=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000174425058 402740737 /nfs/dbraw/zinc/74/07/37/402740737.db2.gz TUIBKRNNWTYMBL-NSHDSACASA-N -1 3 315.211 2.241 20 10 DECDHM COc1cc(Cl)cc(CN2CCn3cnnc3[C@H]2C)c1[O-] ZINC000276857473 403195575 /nfs/dbraw/zinc/19/55/75/403195575.db2.gz WDFDSTIMZCUHMZ-SECBINFHSA-N -1 3 308.769 2.223 20 10 DECDHM Cc1ccc(C(=O)NCCN(C)C(=O)OC(C)(C)C)c([O-])c1O ZINC000271250472 403283108 /nfs/dbraw/zinc/28/31/08/403283108.db2.gz HDXRHVSOLIJQGJ-UHFFFAOYSA-N -1 3 324.377 2.003 20 10 DECDHM Cc1ccc(C(=O)N2CCC3(CCOCC3)CC2)c([O-])c1O ZINC000285668143 403352164 /nfs/dbraw/zinc/35/21/64/403352164.db2.gz IHLJZYIOKCOABL-UHFFFAOYSA-N -1 3 305.374 2.439 20 10 DECDHM CCCOc1ccc(CN2CCOC[C@@H]2CCOC)c([O-])c1 ZINC000291146245 404375898 /nfs/dbraw/zinc/37/58/98/404375898.db2.gz YWAVHERWSMISMT-HNNXBMFYSA-N -1 3 309.406 2.418 20 10 DECDHM COCC[C@H]1COCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000365849939 404732559 /nfs/dbraw/zinc/73/25/59/404732559.db2.gz SYWVORJEHZFKPE-ZDUSSCGKSA-N -1 3 315.797 2.292 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCCCNC2=O)c1[O-] ZINC000365883441 404738765 /nfs/dbraw/zinc/73/87/65/404738765.db2.gz RENHNZHCELOCRN-CQSZACIVSA-N -1 3 324.808 2.349 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000369146210 227025832 /nfs/dbraw/zinc/02/58/32/227025832.db2.gz XAGZEZJZVGFVBH-CHWSQXEVSA-N -1 3 305.374 2.377 20 10 DECDHM CCCOc1ccc(CN2CCC[C@]23CCOC3=O)c([O-])c1 ZINC000190030849 520348737 /nfs/dbraw/zinc/34/87/37/520348737.db2.gz WUJXJMGVBUHLRL-QGZVFWFLSA-N -1 3 305.374 2.463 20 10 DECDHM CCCOc1ccc(CN2C[C@@H](C)O[C@H](COC)C2)c([O-])c1 ZINC000188367802 520352814 /nfs/dbraw/zinc/35/28/14/520352814.db2.gz WSBIXMXBRQOCAA-CJNGLKHVSA-N -1 3 309.406 2.417 20 10 DECDHM COCCCN(CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000189889448 523246727 /nfs/dbraw/zinc/24/67/27/523246727.db2.gz COOMEJYFQLSWIG-UHFFFAOYSA-N -1 3 315.797 2.079 20 10 DECDHM Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c([O-])c1O ZINC000182825642 526109566 /nfs/dbraw/zinc/10/95/66/526109566.db2.gz FPGWDHKAVDMUCM-UHFFFAOYSA-N -1 3 318.417 2.497 20 10 DECDHM Cc1ccc(C(=O)NC[C@@H](CCO)c2ccccc2)c([O-])c1O ZINC000182585861 526172050 /nfs/dbraw/zinc/17/20/50/526172050.db2.gz VXNRKOUFOFHJHD-CQSZACIVSA-N -1 3 315.369 2.302 20 10 DECDHM Cc1nccn1CCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182500655 527404776 /nfs/dbraw/zinc/40/47/76/527404776.db2.gz QEWFIYCXRQTNDK-UHFFFAOYSA-N -1 3 303.362 2.121 20 10 DECDHM CC1(C)CCN(Cc2cc(Cl)ccc2[O-])CCS1(=O)=O ZINC000195204177 529010280 /nfs/dbraw/zinc/01/02/80/529010280.db2.gz LIHJMRPGRLXRIT-UHFFFAOYSA-N -1 3 317.838 2.445 20 10 DECDHM C/C(=C\C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C(=O)[O-] ZINC000825730403 601165343 /nfs/dbraw/zinc/16/53/43/601165343.db2.gz WILKIVZGSZDRJC-NRUITVPNSA-N -1 3 305.374 2.404 20 10 DECDHM C/C(=C\C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)C(=O)[O-] ZINC000825730403 601165345 /nfs/dbraw/zinc/16/53/45/601165345.db2.gz WILKIVZGSZDRJC-NRUITVPNSA-N -1 3 305.374 2.404 20 10 DECDHM Cc1nccn1CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892573640 625160225 /nfs/dbraw/zinc/16/02/25/625160225.db2.gz UMCIESIGETVBAI-UHFFFAOYSA-N -1 3 308.769 2.050 20 10 DECDHM CCCN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000893894412 636062146 /nfs/dbraw/zinc/06/21/46/636062146.db2.gz XVIKCKRXEOLCLB-GFCCVEGCSA-N -1 3 319.373 2.070 20 10 DECDHM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000187184281 637235061 /nfs/dbraw/zinc/23/50/61/637235061.db2.gz RWGPMRREKZTDDU-NHYWBVRUSA-N -1 3 301.342 2.340 20 10 DECDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2O)cc1F ZINC000751150655 639061947 /nfs/dbraw/zinc/06/19/47/639061947.db2.gz JRKHCYCXMDEYPM-UHFFFAOYSA-N -1 3 313.325 2.457 20 10 DECDHM O=C1NCCC2(CCN(Cc3cc(F)cc(F)c3[O-])CC2)O1 ZINC000897010662 639130712 /nfs/dbraw/zinc/13/07/12/639130712.db2.gz OYPOZFUVXVFOAD-UHFFFAOYSA-N -1 3 312.316 2.135 20 10 DECDHM C[C@H](NCC(=O)NC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756706288 639688489 /nfs/dbraw/zinc/68/84/89/639688489.db2.gz OJKXIOBIIWXYRC-JTQLQIEISA-N -1 3 307.350 2.010 20 10 DECDHM C[C@H](NCc1cn(C)nn1)c1cc(Br)ccc1[O-] ZINC000757654755 639864727 /nfs/dbraw/zinc/86/47/27/639864727.db2.gz DUNNCORFUASSET-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM Cc1ncccc1CCNC(=O)NCc1c([O-])cccc1F ZINC000898917756 641851165 /nfs/dbraw/zinc/85/11/65/641851165.db2.gz DTOYSFKBKLXNSO-UHFFFAOYSA-N -1 3 303.337 2.277 20 10 DECDHM COc1c([O-])c(CNCc2csc(C)n2)ccc1[N+](=O)[O-] ZINC000774948136 641985139 /nfs/dbraw/zinc/98/51/39/641985139.db2.gz GVFGGNXTCNSFGV-UHFFFAOYSA-N -1 3 309.347 2.364 20 10 DECDHM NC(=O)CC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775650165 642073419 /nfs/dbraw/zinc/07/34/19/642073419.db2.gz QYTGIFUXMHMULM-UHFFFAOYSA-N -1 3 300.761 2.272 20 10 DECDHM COc1ccc(OCCN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000776315815 642158691 /nfs/dbraw/zinc/15/86/91/642158691.db2.gz BZPHKCPZJRGOAN-UHFFFAOYSA-N -1 3 317.341 2.257 20 10 DECDHM CCNC(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000776342396 642159904 /nfs/dbraw/zinc/15/99/04/642159904.db2.gz CEKTVTDSQDBIPN-UHFFFAOYSA-N -1 3 315.329 2.492 20 10 DECDHM COC(OC)c1ccc(C(=O)NCc2c([O-])cccc2F)o1 ZINC000900670155 642440922 /nfs/dbraw/zinc/44/09/22/642440922.db2.gz VKAODPULPJEEQL-UHFFFAOYSA-N -1 3 309.293 2.346 20 10 DECDHM O=C1NCC2(CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)O1 ZINC000783721827 643042840 /nfs/dbraw/zinc/04/28/40/643042840.db2.gz QDPOIKNPHAGWJK-UHFFFAOYSA-N -1 3 314.744 2.259 20 10 DECDHM Cc1[nH]nc(C(C)C)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784879906 643180036 /nfs/dbraw/zinc/18/00/36/643180036.db2.gz NJDSZYCXJBEHIJ-UHFFFAOYSA-N -1 3 318.329 2.292 20 10 DECDHM COC(=O)[C@H](Cc1ccccc1)NCc1cc(F)ccc1[O-] ZINC000789572316 643749688 /nfs/dbraw/zinc/74/96/88/643749688.db2.gz PYEFMHAWPFLMNM-HNNXBMFYSA-N -1 3 303.333 2.405 20 10 DECDHM CSc1cc(O)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000792701954 644141308 /nfs/dbraw/zinc/14/13/08/644141308.db2.gz JBURSPLGIPZCIY-LLVKDONJSA-N -1 3 317.432 2.425 20 10 DECDHM C[C@H](O)CN1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H](C)C1 ZINC000793591049 644277193 /nfs/dbraw/zinc/27/71/93/644277193.db2.gz QMWDDHWHMCZHOV-MNOVXSKESA-N -1 3 316.804 2.072 20 10 DECDHM CN(C)C(=O)c1cc(NCc2c([O-])cccc2Cl)ccn1 ZINC000795804995 644640230 /nfs/dbraw/zinc/64/02/30/644640230.db2.gz VHPBJGMNGPCEOF-UHFFFAOYSA-N -1 3 305.765 2.176 20 10 DECDHM O=C(NCCCNc1ccccn1)NCc1c([O-])cccc1F ZINC000914153628 647176221 /nfs/dbraw/zinc/17/62/21/647176221.db2.gz GMQRNQSBANQGCO-UHFFFAOYSA-N -1 3 318.352 2.228 20 10 DECDHM COc1c([O-])c(CN2CC(CC(F)F)C2)ccc1[N+](=O)[O-] ZINC000822521252 648224393 /nfs/dbraw/zinc/22/43/93/648224393.db2.gz ZDWUNBHFHWSSDH-UHFFFAOYSA-N -1 3 302.277 2.396 20 10 DECDHM CS(=O)(=O)C[C@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000824914770 648672027 /nfs/dbraw/zinc/67/20/27/648672027.db2.gz YRKRQABWKHIKMY-CYBMUJFWSA-N -1 3 317.838 2.445 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@](O)(C(F)F)C2)c1[O-] ZINC000831175009 649548713 /nfs/dbraw/zinc/54/87/13/649548713.db2.gz CCUULUDYZNUUCI-CQSZACIVSA-N -1 3 319.735 2.450 20 10 DECDHM [O-]c1ccc(F)cc1CN1CCn2c(CC3CC3)nnc2C1 ZINC000846012941 651301633 /nfs/dbraw/zinc/30/16/33/651301633.db2.gz CMRPOQHUFLVMMV-UHFFFAOYSA-N -1 3 302.353 2.091 20 10 DECDHM CCn1cc(CN(C(=O)c2cccc(O)c2[O-])C(C)C)cn1 ZINC000846477380 651332812 /nfs/dbraw/zinc/33/28/12/651332812.db2.gz ISDACBUUPZEYHK-UHFFFAOYSA-N -1 3 303.362 2.365 20 10 DECDHM O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000848345978 651453517 /nfs/dbraw/zinc/45/35/17/651453517.db2.gz AODPFBURTFAYBI-KWQFWETISA-N -1 3 319.279 2.328 20 10 DECDHM Cn1ncc(C2CCC2)c1CNC(=O)c1cccc(O)c1[O-] ZINC000855965384 651819566 /nfs/dbraw/zinc/81/95/66/651819566.db2.gz TWKXFILPAXTLDB-UHFFFAOYSA-N -1 3 301.346 2.029 20 10 DECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](CC(F)(F)F)O1 ZINC000856362243 651907900 /nfs/dbraw/zinc/90/79/00/651907900.db2.gz HLYNRSAPMINIGB-RKDXNWHRSA-N -1 3 319.279 2.280 20 10 DECDHM C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000856379043 651912074 /nfs/dbraw/zinc/91/20/74/651912074.db2.gz WPWVCVQMFGMIMG-JTQLQIEISA-N -1 3 324.377 2.083 20 10 DECDHM NS(=O)(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000127234708 684161398 /nfs/dbraw/zinc/16/13/98/684161398.db2.gz DEPQIOYBEAPUTN-UHFFFAOYSA-N -1 3 312.778 2.305 20 10 DECDHM C[C@H](C[S@](C)=O)N(C)Cc1cccc(Br)c1[O-] ZINC000130976032 684194790 /nfs/dbraw/zinc/19/47/90/684194790.db2.gz AAQNXZLLFORWPR-VVVCHXIZSA-N -1 3 320.252 2.354 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000928708337 693831176 /nfs/dbraw/zinc/83/11/76/693831176.db2.gz JXQVJKMFEFFQHH-SECBINFHSA-N -1 3 320.286 2.032 20 10 DECDHM CCOC(=O)N1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928712693 693831681 /nfs/dbraw/zinc/83/16/81/693831681.db2.gz WHFVJKGLPLMQOF-NSHDSACASA-N -1 3 324.352 2.016 20 10 DECDHM CO[C@]12CCC[C@@]1(C(=O)NCc1c([O-])cccc1F)CCO2 ZINC000928711052 693832021 /nfs/dbraw/zinc/83/20/21/693832021.db2.gz ZIZZGPUZBFRIJP-HOTGVXAUSA-N -1 3 309.337 2.081 20 10 DECDHM O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1cccc(O)c1[O-] ZINC000193015353 684462689 /nfs/dbraw/zinc/46/26/89/684462689.db2.gz VZYDIUMCJHFOJB-UHFFFAOYSA-N -1 3 314.276 2.274 20 10 DECDHM [O-]c1cccc(Br)c1CN1CC(F)(F)C[C@@H]1CO ZINC000862335719 686277741 /nfs/dbraw/zinc/27/77/41/686277741.db2.gz OENAAAQJINBSLC-MRVPVSSYSA-N -1 3 322.149 2.357 20 10 DECDHM [O-]c1cccc(Br)c1CN1CC[C@H](O)C(F)(F)C1 ZINC000862410067 686295615 /nfs/dbraw/zinc/29/56/15/686295615.db2.gz LPCSLMKYXZSMGG-NSHDSACASA-N -1 3 322.149 2.357 20 10 DECDHM [O-]c1c(Cl)cccc1CNCc1nnc(C2CCOCC2)[nH]1 ZINC000877677228 690187383 /nfs/dbraw/zinc/18/73/83/690187383.db2.gz PSGRSOAZMSTQJG-UHFFFAOYSA-N -1 3 322.796 2.348 20 10 DECDHM [O-]c1c(F)cc(F)cc1CN[C@@]1(CO)CCOc2ccccc21 ZINC000883111851 691431601 /nfs/dbraw/zinc/43/16/01/691431601.db2.gz RETDRHPWRIFZHY-QGZVFWFLSA-N -1 3 321.323 2.430 20 10 DECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCO[C@@H](c2ccccc2)C1 ZINC001148583916 791777664 /nfs/dbraw/zinc/77/76/64/791777664.db2.gz HIEMZPUJPOWKLT-OAHLLOKOSA-N -1 3 315.325 2.017 20 10 DECDHM O=C(NCc1nccc2ccccc21)c1cc(O)c([O-])c(O)c1 ZINC001148590205 791778764 /nfs/dbraw/zinc/77/87/64/791778764.db2.gz YYPUJYXPXBQWKA-UHFFFAOYSA-N -1 3 310.309 2.282 20 10 DECDHM O=C(N[C@H]1CCCc2cnccc21)c1cc(O)c([O-])c(O)c1 ZINC001148591082 791779642 /nfs/dbraw/zinc/77/96/42/791779642.db2.gz SYVODPXFVDQQCA-LBPRGKRZSA-N -1 3 300.314 2.006 20 10 DECDHM NC(=O)c1cccc2c1CCN(Cc1cccc(F)c1[O-])C2 ZINC001183066232 795800648 /nfs/dbraw/zinc/80/06/48/795800648.db2.gz VWYHUARBXCQWBC-UHFFFAOYSA-N -1 3 300.333 2.189 20 10 DECDHM COC[C@@H]1CN(Cc2c([O-])cccc2F)Cc2cn(C)nc21 ZINC001137834455 796143961 /nfs/dbraw/zinc/14/39/61/796143961.db2.gz HKNHGDHERJYAPZ-LBPRGKRZSA-N -1 3 305.353 2.011 20 10 DECDHM [O-]c1cccc(F)c1CN1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001137841679 796145304 /nfs/dbraw/zinc/14/53/04/796145304.db2.gz POHAFYYJBACLLG-NSHDSACASA-N -1 3 307.300 2.114 20 10 DECDHM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1ccc(O)cc1O ZINC001185083859 796185681 /nfs/dbraw/zinc/18/56/81/796185681.db2.gz MBLFYDMMZVSNHY-UHFFFAOYSA-N -1 3 315.297 2.318 20 10 DECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(C2CC2)CC1 ZINC001139126583 796327741 /nfs/dbraw/zinc/32/77/41/796327741.db2.gz LKOFZRHHOHMKQT-UHFFFAOYSA-N -1 3 314.385 2.087 20 10 DECDHM [O-]c1c(Cl)cccc1CN1CC[C@H](Oc2ncccn2)C1 ZINC001231913522 801749525 /nfs/dbraw/zinc/74/95/25/801749525.db2.gz LGMSFDOLPRRFMJ-LBPRGKRZSA-N -1 3 305.765 2.489 20 10 DECDHM Cn1ncc2cc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)ccc21 ZINC001215325322 801836018 /nfs/dbraw/zinc/83/60/18/801836018.db2.gz MDZVUKFDFJEHOI-UHFFFAOYSA-N -1 3 324.296 2.407 20 10 DECDHM COC[C@@H]1CCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001233143054 802034230 /nfs/dbraw/zinc/03/42/30/802034230.db2.gz VGQUYAHLCIYBLK-JTQLQIEISA-N -1 3 316.195 2.384 20 10 DECDHM CC(=O)[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC001233455460 802120472 /nfs/dbraw/zinc/12/04/72/802120472.db2.gz LVLADZAFXVQWNG-CYBMUJFWSA-N -1 3 303.280 2.201 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1CCOC1=O ZINC001227937837 803297259 /nfs/dbraw/zinc/29/72/59/803297259.db2.gz NUGHAFHZUBWCLO-ZDUSSCGKSA-N -1 3 314.293 2.023 20 10 DECDHM Cc1cc(Br)cc(C[NH2+][C@H](C)CC(=O)[O-])c1[O-] ZINC001605101900 972755659 /nfs/dbraw/zinc/75/56/59/972755659.db2.gz HFXNQGJJEZNLLH-MRVPVSSYSA-N -1 3 302.168 2.416 20 10 DECDHM COC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])C1CCOCC1 ZINC001599173894 998641202 /nfs/dbraw/zinc/64/12/02/998641202.db2.gz SWZVCKVNDCRHCI-ABAIWWIYSA-N -1 3 323.389 2.183 20 10 DECDHM O=C([O-])c1ccc(N2CCN(Cc3ccccc3O)CC2)s1 ZINC001602371624 1069621627 /nfs/dbraw/zinc/62/16/27/1069621627.db2.gz QPTHMUFQFHIQHI-UHFFFAOYSA-N -1 3 318.398 2.474 20 10 DECDHM C[C@H]([NH2+]CCC1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661918 1070028618 /nfs/dbraw/zinc/02/86/18/1070028618.db2.gz DMZIOZFPOXNVGN-NSHDSACASA-N -1 3 317.393 2.040 20 10 DECDHM CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604023733 1070179598 /nfs/dbraw/zinc/17/95/98/1070179598.db2.gz ZXKLKHYXQDHEQJ-HZMBPMFUSA-N -1 3 319.409 2.020 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001454312167 1057478309 /nfs/dbraw/zinc/47/83/09/1057478309.db2.gz REXYIJDXSUOWMN-MRVPVSSYSA-N -1 3 314.297 2.436 20 10 DECDHM COc1c([O-])c(CN[C@@H]2C[C@@H](C)n3ccnc32)ccc1[N+](=O)[O-] ZINC001462241398 1058786460 /nfs/dbraw/zinc/78/64/60/1058786460.db2.gz WQFSYEOJWQRYRQ-MWLCHTKSSA-N -1 3 318.333 2.301 20 10 DECDHM O=C(Cc1cn2cc(F)ccc2n1)NCc1c([O-])cccc1F ZINC001471975752 1060353628 /nfs/dbraw/zinc/35/36/28/1060353628.db2.gz GBSODANPLDKXPY-UHFFFAOYSA-N -1 3 317.295 2.177 20 10 DECDHM O=C(C[C@@H]1COc2ccccc2O1)NCc1c([O-])cccc1F ZINC001638864406 1078584533 /nfs/dbraw/zinc/58/45/33/1078584533.db2.gz ZWKJOVCPCQCNDK-LLVKDONJSA-N -1 3 317.316 2.378 20 10 DECDHM O=C(C[C@H]1C(=O)Nc2ccccc21)NCc1c([O-])cccc1F ZINC001646035468 1079085254 /nfs/dbraw/zinc/08/52/54/1079085254.db2.gz WNTSYIPRHFPAFE-LLVKDONJSA-N -1 3 314.316 2.274 20 10 DECDHM CC(C)(C)c1ccc(CNC(=O)c2cccc(O)c2[O-])c(=O)[nH]1 ZINC001648740964 1075008383 /nfs/dbraw/zinc/00/83/83/1075008383.db2.gz AKQTYPCVINAMIZ-UHFFFAOYSA-N -1 3 316.357 2.426 20 10 DECDHM C[C@H]([NH2+]C1CCSCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952788 1076534735 /nfs/dbraw/zinc/53/47/35/1076534735.db2.gz DBWVFFFWUVMNBL-VIFPVBQESA-N -1 3 305.407 2.119 20 10 DECDHM C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962089 1076537676 /nfs/dbraw/zinc/53/76/76/1076537676.db2.gz GJRIIEQYKPIKTN-MNOVXSKESA-N -1 3 317.393 2.038 20 10 DECDHM C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963760 1076538470 /nfs/dbraw/zinc/53/84/70/1076538470.db2.gz YDPZHFILSQUEQW-RYUDHWBXSA-N -1 3 317.393 2.182 20 10 DECDHM C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590244329 1076597783 /nfs/dbraw/zinc/59/77/83/1076597783.db2.gz TWANHOJGNSUIMK-UTUOFQBUSA-N -1 3 317.393 2.181 20 10 DECDHM CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466718 1076633397 /nfs/dbraw/zinc/63/33/97/1076633397.db2.gz MDUCYDDXIMWTJC-BXUZGUMPSA-N -1 3 315.377 2.306 20 10 DECDHM CC(=O)NCc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001596912030 1077084671 /nfs/dbraw/zinc/08/46/71/1077084671.db2.gz KQTUKXXLVPGNRF-UHFFFAOYSA-N -1 3 316.332 2.097 20 10 DECDHM O=Cc1ccccc1OCC(=O)NCc1c([O-])cccc1F ZINC001596913446 1077084898 /nfs/dbraw/zinc/08/48/98/1077084898.db2.gz YTTKKSIJWOQUSL-UHFFFAOYSA-N -1 3 303.289 2.039 20 10 DECDHM COc1ccc2c(c1)CCN2Cc1cccc(-c2nnn[n-]2)c1 ZINC001609359732 1077839937 /nfs/dbraw/zinc/83/99/37/1077839937.db2.gz JIHPZHZZFIUXQW-UHFFFAOYSA-N -1 3 307.357 2.438 20 10 DECDHM COc1ccc2c(c1)CCN2Cc1cccc(-c2nn[n-]n2)c1 ZINC001609359732 1077839942 /nfs/dbraw/zinc/83/99/42/1077839942.db2.gz JIHPZHZZFIUXQW-UHFFFAOYSA-N -1 3 307.357 2.438 20 10 DECDHM C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778172 1077921307 /nfs/dbraw/zinc/92/13/07/1077921307.db2.gz NFDJYZQCONYIPM-JOYOIKCWSA-N -1 3 301.346 2.022 20 10 DECDHM CS(=O)(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001658988253 1080225076 /nfs/dbraw/zinc/22/50/76/1080225076.db2.gz JKIDPXZSXMWTLL-ZDUSSCGKSA-N -1 3 317.838 2.445 20 10 DECDHM COCCO[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001659577188 1080244758 /nfs/dbraw/zinc/24/47/58/1080244758.db2.gz UREUNHCHNIMSBG-GFCCVEGCSA-N -1 3 301.333 2.298 20 10 DECDHM [O-]c1c(F)c(F)ccc1CNc1cnccc1-n1ccnn1 ZINC001659745933 1080248806 /nfs/dbraw/zinc/24/88/06/1080248806.db2.gz MEKVZOOIXFYQAV-UHFFFAOYSA-N -1 3 303.272 2.258 20 10 DECDHM COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(Cl)cc1[O-] ZINC001659997217 1080259304 /nfs/dbraw/zinc/25/93/04/1080259304.db2.gz TXJRBASFMPMFLU-QWHCGFSZSA-N -1 3 313.781 2.246 20 10 DECDHM [O-]c1cccc(Br)c1CN1CCn2ccnc2C1 ZINC000707130055 1086660143 /nfs/dbraw/zinc/66/01/43/1086660143.db2.gz SHCCHAXCIJJWAI-UHFFFAOYSA-N -1 3 308.179 2.367 20 10 DECDHM COCCN(CCOC)Cc1c([O-])cccc1Br ZINC000707154737 1086660559 /nfs/dbraw/zinc/66/05/59/1086660559.db2.gz LWBJTMDSCIQUPF-UHFFFAOYSA-N -1 3 318.211 2.250 20 10 DECDHM CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(F)c(Cl)cc3[O-])C[C@@H]21 ZINC001237950376 1138812039 /nfs/dbraw/zinc/81/20/39/1138812039.db2.gz SJNWXHZUNAOOBQ-MSRIBSCDSA-N -1 3 313.756 2.426 20 10 DECDHM CN(CCCC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC001337362327 1142736511 /nfs/dbraw/zinc/73/65/11/1142736511.db2.gz DLSKWBFBSZEQOK-UHFFFAOYSA-N -1 3 309.362 2.292 20 10 DECDHM CC(C)Cc1nnc(-c2ccc([O-])c(CN3CCOCC3)c2)o1 ZINC001256518674 1143851458 /nfs/dbraw/zinc/85/14/58/1143851458.db2.gz XASRKVJBBPXFEB-UHFFFAOYSA-N -1 3 317.389 2.473 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc2nsnc2c1 ZINC001303879354 1147337608 /nfs/dbraw/zinc/33/76/08/1147337608.db2.gz ZENNDOBYYBCDEJ-UHFFFAOYSA-N -1 3 303.318 2.466 20 10 DECDHM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001325246478 1147887348 /nfs/dbraw/zinc/88/73/48/1147887348.db2.gz DAIUSGUSNQXOKH-UWVGGRQHSA-N -1 3 324.377 2.129 20 10 DECDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c([O-])c1O ZINC000272765002 130061934 /nfs/dbraw/zinc/06/19/34/130061934.db2.gz QXVLPEMLGCNMHP-BDJLRTHQSA-N -1 3 323.414 2.191 20 10 DECDHM Cc1ccc(C(=O)NCC2([C@H](C)CCO)CCC2)c([O-])c1O ZINC000272890655 130072434 /nfs/dbraw/zinc/07/24/34/130072434.db2.gz ARTGDXCGLBSZFE-GFCCVEGCSA-N -1 3 307.390 2.325 20 10 DECDHM CC(C)(C)S(=O)(=O)CCNCc1c([O-])cccc1Cl ZINC000113345068 401777040 /nfs/dbraw/zinc/77/70/40/401777040.db2.gz KGNGCRJVOBKQDR-UHFFFAOYSA-N -1 3 305.827 2.349 20 10 DECDHM CC(C)CCOCCNC(=O)CN(C)Cc1ccccc1[O-] ZINC000109770458 402275788 /nfs/dbraw/zinc/27/57/88/402275788.db2.gz YTOHEUAAHRRHPS-UHFFFAOYSA-N -1 3 308.422 2.003 20 10 DECDHM CNC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177159367 402376260 /nfs/dbraw/zinc/37/62/60/402376260.db2.gz YPKLTBBAZMWQHE-NSHDSACASA-N -1 3 324.808 2.206 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC3(CC2)OCCO3)c1[O-] ZINC000177248561 402385388 /nfs/dbraw/zinc/38/53/88/402385388.db2.gz MIUVISCAJJLVIL-UHFFFAOYSA-N -1 3 309.337 2.073 20 10 DECDHM COc1c([O-])c(CN[C@@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278493236 402866977 /nfs/dbraw/zinc/86/69/77/402866977.db2.gz LUTCTUKJOFWDGT-ZDUSSCGKSA-N -1 3 318.329 2.132 20 10 DECDHM COCCn1cc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000282446404 403154885 /nfs/dbraw/zinc/15/48/85/403154885.db2.gz FCSUNDUQSUDJEM-JTQLQIEISA-N -1 3 311.332 2.364 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293963335 403611209 /nfs/dbraw/zinc/61/12/09/403611209.db2.gz BBNAFIIHHZAYMX-HNNXBMFYSA-N -1 3 303.358 2.129 20 10 DECDHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)N1CCCC1 ZINC000294713670 403725761 /nfs/dbraw/zinc/72/57/61/403725761.db2.gz OYVMKNNWFWNAKX-VIFPVBQESA-N -1 3 300.761 2.285 20 10 DECDHM CON(C)C(=O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000291290300 404380017 /nfs/dbraw/zinc/38/00/17/404380017.db2.gz PMFGFPUEQJDTJL-UHFFFAOYSA-N -1 3 312.797 2.277 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC(F)(F)[C@@H](CO)C2)c1[O-] ZINC000291863681 404556463 /nfs/dbraw/zinc/55/64/63/404556463.db2.gz PMCMUPZPITWNQW-LLVKDONJSA-N -1 3 317.307 2.183 20 10 DECDHM Cc1ccc(C(=O)NC[C@H]2COC3(CCCCC3)O2)c([O-])c1O ZINC000370360606 227049872 /nfs/dbraw/zinc/04/98/72/227049872.db2.gz UYNPFPVNVQFGBD-LBPRGKRZSA-N -1 3 321.373 2.212 20 10 DECDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1c([O-])cccc1Cl ZINC000126495734 521650840 /nfs/dbraw/zinc/65/08/40/521650840.db2.gz SVIILIVTDAPWOG-JTQLQIEISA-N -1 3 305.827 2.301 20 10 DECDHM COc1cc(Cl)cc(CN(C)[C@H](C)C[S@@](C)=O)c1[O-] ZINC000187826949 533952292 /nfs/dbraw/zinc/95/22/92/533952292.db2.gz SOFMUMHKMZHYBG-AYLIAGHASA-N -1 3 305.827 2.253 20 10 DECDHM Cc1ccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([O-])c1O ZINC000182902203 526216875 /nfs/dbraw/zinc/21/68/75/526216875.db2.gz BCGWHLIQSGFNSL-RCBQFDQVSA-N -1 3 317.385 2.484 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@H]1c1ncon1 ZINC000189587276 526770892 /nfs/dbraw/zinc/77/08/92/526770892.db2.gz YMLVSMRCJNJRHB-NSHDSACASA-N -1 3 303.318 2.238 20 10 DECDHM CN(C(=O)C=Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732189 598281537 /nfs/dbraw/zinc/28/15/37/598281537.db2.gz LDVGHDIPPPHRAW-DAXSKMNVSA-N -1 3 324.319 2.077 20 10 DECDHM CN(C(=O)C=Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732189 598281539 /nfs/dbraw/zinc/28/15/39/598281539.db2.gz LDVGHDIPPPHRAW-DAXSKMNVSA-N -1 3 324.319 2.077 20 10 DECDHM CN(Cc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000825980904 607927389 /nfs/dbraw/zinc/92/73/89/607927389.db2.gz LFVCVLNSHLWXGY-UHFFFAOYSA-N -1 3 309.329 2.232 20 10 DECDHM CN(Cc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000825980904 607927390 /nfs/dbraw/zinc/92/73/90/607927390.db2.gz LFVCVLNSHLWXGY-UHFFFAOYSA-N -1 3 309.329 2.232 20 10 DECDHM CCN(Cc1cc(Cl)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000160555012 623949566 /nfs/dbraw/zinc/94/95/66/623949566.db2.gz RXOKIRYAVDWKHQ-GFCCVEGCSA-N -1 3 303.811 2.055 20 10 DECDHM CS(=O)(=O)CCN(Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000093816456 634482868 /nfs/dbraw/zinc/48/28/68/634482868.db2.gz YUGYXKWVLFVRQT-UHFFFAOYSA-N -1 3 303.811 2.055 20 10 DECDHM O=C(NCCCc1nccs1)NCc1c([O-])cccc1F ZINC000922523395 636216957 /nfs/dbraw/zinc/21/69/57/636216957.db2.gz LPSRSJWXCMJRAX-UHFFFAOYSA-N -1 3 309.366 2.420 20 10 DECDHM CCn1ccnc1[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922742321 636371918 /nfs/dbraw/zinc/37/19/18/636371918.db2.gz SYBFPAUVDBMMEG-SNVBAGLBSA-N -1 3 306.341 2.308 20 10 DECDHM CCn1cc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)cn1 ZINC000922770464 636389034 /nfs/dbraw/zinc/38/90/34/636389034.db2.gz OKSPHVCMOBPSQI-SNVBAGLBSA-N -1 3 306.341 2.308 20 10 DECDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CC2(CCOCC2)O1 ZINC000894595143 637126234 /nfs/dbraw/zinc/12/62/34/637126234.db2.gz AINVTNSGFFZRRC-LLVKDONJSA-N -1 3 313.344 2.440 20 10 DECDHM Cc1cc([O-])c(CN2CCC(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000840918329 650382076 /nfs/dbraw/zinc/38/20/76/650382076.db2.gz ZTBVCPGGRJINSB-UHFFFAOYSA-N -1 3 317.838 2.363 20 10 DECDHM C[C@@](CO)(NCc1cc(F)cc(F)c1[O-])c1cccc(O)c1 ZINC000895389508 637993661 /nfs/dbraw/zinc/99/36/61/637993661.db2.gz PCHYTBOMUDAASP-INIZCTEOSA-N -1 3 309.312 2.373 20 10 DECDHM COC(=O)C[C@@H]1COCCN1Cc1c([O-])cc(C)cc1Cl ZINC000840945333 650392622 /nfs/dbraw/zinc/39/26/22/650392622.db2.gz JNCSYDLMZXAQLC-LLVKDONJSA-N -1 3 313.781 2.118 20 10 DECDHM CCOC(=O)c1cc(NCc2c([O-])cccc2F)nc(C)n1 ZINC000895832095 638224534 /nfs/dbraw/zinc/22/45/34/638224534.db2.gz AJJAUGMZFDCPSX-UHFFFAOYSA-N -1 3 305.309 2.419 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](C(F)(F)F)C2)c1[O-] ZINC000750825392 639031678 /nfs/dbraw/zinc/03/16/78/639031678.db2.gz ATXBNBMBOHTMNG-LBPRGKRZSA-N -1 3 321.270 2.497 20 10 DECDHM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928706850 639485853 /nfs/dbraw/zinc/48/58/53/639485853.db2.gz XBSIGVCQKHYPIL-GFCCVEGCSA-N -1 3 324.352 2.157 20 10 DECDHM O=C(CSC[C@@H]1CCCCO1)NCc1c([O-])cccc1F ZINC000928711592 639488712 /nfs/dbraw/zinc/48/87/12/639488712.db2.gz JQGWDKVYDFDRDA-NSHDSACASA-N -1 3 313.394 2.450 20 10 DECDHM O=c1ccnc(C=Cc2ccc(N3CCOCC3)c(F)c2)[n-]1 ZINC000764441874 640636394 /nfs/dbraw/zinc/63/63/94/640636394.db2.gz LAMITQSJILMAJA-RQOWECAXSA-N -1 3 301.321 2.328 20 10 DECDHM Cn1cc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)cn1 ZINC000769310038 641214613 /nfs/dbraw/zinc/21/46/13/641214613.db2.gz WVNFSIZPHOUBKY-UHFFFAOYSA-N -1 3 320.824 2.097 20 10 DECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000770408852 641366839 /nfs/dbraw/zinc/36/68/39/641366839.db2.gz RPYOCXCMMJMJLP-SECBINFHSA-N -1 3 303.314 2.303 20 10 DECDHM O=C(NCc1cn2cc(Cl)ccc2n1)c1cccc(O)c1[O-] ZINC000776325653 642158533 /nfs/dbraw/zinc/15/85/33/642158533.db2.gz OPSSXSFNGNOIOY-UHFFFAOYSA-N -1 3 317.732 2.329 20 10 DECDHM COc1ncc(NCc2c([O-])cccc2Cl)cc1C(N)=O ZINC000781920173 642798937 /nfs/dbraw/zinc/79/89/37/642798937.db2.gz FPJLKGOYHSEUSM-UHFFFAOYSA-N -1 3 307.737 2.160 20 10 DECDHM C[C@]1(CO)CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000789558277 643749801 /nfs/dbraw/zinc/74/98/01/643749801.db2.gz VHXXCLIWMALAKV-CYBMUJFWSA-N -1 3 300.742 2.301 20 10 DECDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1S(C)(=O)=O ZINC000790906348 643907728 /nfs/dbraw/zinc/90/77/28/643907728.db2.gz YBCATJRISYJUSE-UHFFFAOYSA-N -1 3 321.354 2.062 20 10 DECDHM CC(C)OC[C@@H](CO)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809768515 646281515 /nfs/dbraw/zinc/28/15/15/646281515.db2.gz NWUDUFIMMDFEIO-GFCCVEGCSA-N -1 3 305.777 2.402 20 10 DECDHM [O-]c1cc(F)c(Cl)cc1CN1CCSC[C@H]1CCO ZINC000816520646 647146576 /nfs/dbraw/zinc/14/65/76/647146576.db2.gz UPAFQZAXTJEKGX-SNVBAGLBSA-N -1 3 305.802 2.485 20 10 DECDHM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816588978 647156463 /nfs/dbraw/zinc/15/64/63/647156463.db2.gz HRLGFOYBSCXSPM-BXGCZWRVSA-N -1 3 312.772 2.271 20 10 DECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCOC1 ZINC000732202876 647549440 /nfs/dbraw/zinc/54/94/40/647549440.db2.gz HLKOFYKGKYQAJC-NSHDSACASA-N -1 3 313.781 2.057 20 10 DECDHM CC1(CNC(=O)c2cccc(O)c2[O-])CCC2(CC1)OCCO2 ZINC000888286930 647667500 /nfs/dbraw/zinc/66/75/00/647667500.db2.gz TUQNWXAEXRLSPJ-UHFFFAOYSA-N -1 3 321.373 2.151 20 10 DECDHM O=C(NCc1cn2c(n1)CCCC2)NCc1c([O-])cccc1F ZINC000916342250 647860338 /nfs/dbraw/zinc/86/03/38/647860338.db2.gz RADYMXFGDGIILR-UHFFFAOYSA-N -1 3 318.352 2.064 20 10 DECDHM CCc1ncc(S(=O)(=O)NCc2c([O-])cccc2F)s1 ZINC000921452716 648320053 /nfs/dbraw/zinc/32/00/53/648320053.db2.gz XKCXWIYOCCFUDH-UHFFFAOYSA-N -1 3 316.379 2.029 20 10 DECDHM CO[C@@H](CC(C)C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921451302 648320137 /nfs/dbraw/zinc/32/01/37/648320137.db2.gz NGXPXUNDXCDPKJ-NSHDSACASA-N -1 3 319.398 2.012 20 10 DECDHM [O-]c1c(Br)cccc1CN1CC[C@@](O)(C(F)F)C1 ZINC000824726612 648644068 /nfs/dbraw/zinc/64/40/68/648644068.db2.gz PQJQXSQYFOOWMV-LBPRGKRZSA-N -1 3 322.149 2.357 20 10 DECDHM O=C(NCC(F)F)[C@@H]1CCCCN1Cc1cc(F)ccc1[O-] ZINC000825068121 648697236 /nfs/dbraw/zinc/69/72/36/648697236.db2.gz JJJWACULZHSIEB-LBPRGKRZSA-N -1 3 316.323 2.267 20 10 DECDHM COC(=O)[C@H](NCc1ccc(Br)cc1[O-])C1CC1 ZINC000825666625 648796269 /nfs/dbraw/zinc/79/62/69/648796269.db2.gz MFOAJXODYQLTGG-GFCCVEGCSA-N -1 3 314.179 2.196 20 10 DECDHM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(O)cc1Cl ZINC000070334355 648905857 /nfs/dbraw/zinc/90/58/57/648905857.db2.gz CRTPJVPAUYZFDQ-UHFFFAOYSA-N -1 3 315.782 2.197 20 10 DECDHM O=C1OCCN1[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000827000763 648958805 /nfs/dbraw/zinc/95/88/05/648958805.db2.gz NRKUSTIRJSIIGE-VIFPVBQESA-N -1 3 314.744 2.211 20 10 DECDHM [O-]c1cc(F)c(Cl)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC000827125995 648977191 /nfs/dbraw/zinc/97/71/91/648977191.db2.gz VEGGMKXSVDCJEL-LBPRGKRZSA-N -1 3 314.788 2.091 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)[C@H]1O ZINC000827151731 648982941 /nfs/dbraw/zinc/98/29/41/648982941.db2.gz IPQGEQBGFBAZGE-WOFXILAISA-N -1 3 314.769 2.403 20 10 DECDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])Oc1ccc(F)cc1 ZINC000185753203 649602789 /nfs/dbraw/zinc/60/27/89/649602789.db2.gz CLXRYQQTOMOCCN-SNVBAGLBSA-N -1 3 305.305 2.434 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000848145097 651440312 /nfs/dbraw/zinc/44/03/12/651440312.db2.gz IZRAPZCRTOIBAQ-OKILXGFUSA-N -1 3 324.380 2.306 20 10 DECDHM CC[C@@H](NCc1nc(C(N)=O)cs1)c1ccc(F)cc1[O-] ZINC000850539432 651948836 /nfs/dbraw/zinc/94/88/36/651948836.db2.gz CMYLDELBHYONKJ-SNVBAGLBSA-N -1 3 309.366 2.328 20 10 DECDHM CC(C)N(CCS(C)(=O)=O)Cc1cc(Cl)ccc1[O-] ZINC000093707773 684051120 /nfs/dbraw/zinc/05/11/20/684051120.db2.gz QKMKLVWPCYNVOI-UHFFFAOYSA-N -1 3 305.827 2.301 20 10 DECDHM C[C@@H]1CCc2nc(C(=O)NCc3c([O-])cccc3F)cn2C1 ZINC000928707859 693831467 /nfs/dbraw/zinc/83/14/67/693831467.db2.gz DFADKRPKFWVNOY-SNVBAGLBSA-N -1 3 303.337 2.240 20 10 DECDHM CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711202 693831987 /nfs/dbraw/zinc/83/19/87/693831987.db2.gz HITZMLHEXJEMOA-CQSZACIVSA-N -1 3 322.380 2.185 20 10 DECDHM C[C@H](NC(=O)C1CCCCC1)C(=O)NCc1c([O-])cccc1F ZINC000928711158 693832140 /nfs/dbraw/zinc/83/21/40/693832140.db2.gz FVJVJECKJUAGIX-NSHDSACASA-N -1 3 322.380 2.233 20 10 DECDHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc2o1 ZINC000192685354 684455157 /nfs/dbraw/zinc/45/51/57/684455157.db2.gz WBGPCQJYSVNHCS-UHFFFAOYSA-N -1 3 317.322 2.299 20 10 DECDHM [O-]c1cccc(Br)c1CN1CC[C@@H](O)C(F)(F)C1 ZINC000862410066 686295310 /nfs/dbraw/zinc/29/53/10/686295310.db2.gz LPCSLMKYXZSMGG-LLVKDONJSA-N -1 3 322.149 2.357 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3cc(C)ccc3C(=O)N2)c1 ZINC000877863512 690250215 /nfs/dbraw/zinc/25/02/15/690250215.db2.gz FOACANYCGXYLFF-OAHLLOKOSA-N -1 3 312.325 2.341 20 10 DECDHM O=c1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc[n-]1 ZINC001355215585 1151992550 /nfs/dbraw/zinc/99/25/50/1151992550.db2.gz WRRXJAWLUDGKHX-UHFFFAOYSA-N -1 3 314.389 2.003 20 10 DECDHM COC(CN(C)Cc1cc(Br)c(F)cc1[O-])OC ZINC001144306705 790854052 /nfs/dbraw/zinc/85/40/52/790854052.db2.gz MVOYDPDTKCEBBO-UHFFFAOYSA-N -1 3 322.174 2.345 20 10 DECDHM C[C@@H]1CN(Cc2cc(Br)c(F)cc2[O-])CCN1C ZINC001144306666 790854223 /nfs/dbraw/zinc/85/42/23/790854223.db2.gz LGCBCVPHAPYWCD-SECBINFHSA-N -1 3 317.202 2.430 20 10 DECDHM Cn1nc(NC(=O)c2cccc(O)c2[O-])c2ccc(Cl)nc21 ZINC001148212781 791711074 /nfs/dbraw/zinc/71/10/74/791711074.db2.gz MADPMZHSRBAWQH-UHFFFAOYSA-N -1 3 318.720 2.285 20 10 DECDHM COc1ccc(N2CCN(Cc3c([O-])cccc3F)CC2)nc1 ZINC001137841922 796145396 /nfs/dbraw/zinc/14/53/96/796145396.db2.gz ZUUZZODSBMWPEI-UHFFFAOYSA-N -1 3 317.364 2.257 20 10 DECDHM [O-]c1cccc(F)c1CN1CCC(Oc2cnccn2)CC1 ZINC001137839536 796145535 /nfs/dbraw/zinc/14/55/35/796145535.db2.gz CBTUBXORBPPWFW-UHFFFAOYSA-N -1 3 303.337 2.365 20 10 DECDHM Cc1cc(N2CCN(Cc3cccc(F)c3[O-])CC2)nc(C)n1 ZINC001138127913 796167202 /nfs/dbraw/zinc/16/72/02/796167202.db2.gz VJCODYGEHNABFP-UHFFFAOYSA-N -1 3 316.380 2.260 20 10 DECDHM Cn1ncc2c1CCN(Cc1cc(Br)ccc1[O-])C2 ZINC001203649681 796459184 /nfs/dbraw/zinc/45/91/84/796459184.db2.gz ALPJVOVIBWKGCJ-UHFFFAOYSA-N -1 3 322.206 2.447 20 10 DECDHM COCc1cnc2n1CCN(Cc1cc(F)ccc1[O-])[C@@H]2C ZINC001140054102 796470859 /nfs/dbraw/zinc/47/08/59/796470859.db2.gz JITJIMJTDQLVJX-LLVKDONJSA-N -1 3 305.353 2.451 20 10 DECDHM Cc1ccnc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)n1 ZINC001140464601 796525921 /nfs/dbraw/zinc/52/59/21/796525921.db2.gz WQNCONIBVIVHDE-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@@H]1CCC=N1 ZINC001187377077 796527331 /nfs/dbraw/zinc/52/73/31/796527331.db2.gz CUEWVYGFLHALJO-LBPRGKRZSA-N -1 3 303.749 2.443 20 10 DECDHM O=S(=O)(CCCF)Nc1ccc([O-])c(Br)c1 ZINC001189911539 796901785 /nfs/dbraw/zinc/90/17/85/796901785.db2.gz XOJGVMAIPBYMOB-UHFFFAOYSA-N -1 3 312.160 2.256 20 10 DECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1ccccc1F ZINC001150198026 796927375 /nfs/dbraw/zinc/92/73/75/796927375.db2.gz QEQCJYMQFAFKCD-DZGCQCFKSA-N -1 3 319.332 2.479 20 10 DECDHM CN(C)C(=O)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001156170886 797938232 /nfs/dbraw/zinc/93/82/32/797938232.db2.gz VKZRGUGABRPDHK-UHFFFAOYSA-N -1 3 316.332 2.163 20 10 DECDHM COCCc1noc(CN(C)Cc2ccc(Cl)cc2[O-])n1 ZINC001204690051 800247049 /nfs/dbraw/zinc/24/70/49/800247049.db2.gz LFORCHRUJCPQCP-UHFFFAOYSA-N -1 3 311.769 2.250 20 10 DECDHM CCOC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447432 801667399 /nfs/dbraw/zinc/66/73/99/801667399.db2.gz TYEAUYIUPBBTMC-GFCCVEGCSA-N -1 3 321.373 2.256 20 10 DECDHM CCOC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447432 801667405 /nfs/dbraw/zinc/66/74/05/801667405.db2.gz TYEAUYIUPBBTMC-GFCCVEGCSA-N -1 3 321.373 2.256 20 10 DECDHM COC(=O)[C@]1(C)COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231872424 801742318 /nfs/dbraw/zinc/74/23/18/801742318.db2.gz ZHBBGICTMWXEHK-HNNXBMFYSA-N -1 3 313.781 2.118 20 10 DECDHM COC(=O)[C@]1(C)COCCN1Cc1ccc2ccccc2c1[O-] ZINC001231883715 801744162 /nfs/dbraw/zinc/74/41/62/801744162.db2.gz NIRBVLHDWUPKSI-SFHVURJKSA-N -1 3 315.369 2.309 20 10 DECDHM CCn1cc(CNCc2cc(Br)ccc2[O-])nn1 ZINC000404427025 802019332 /nfs/dbraw/zinc/01/93/32/802019332.db2.gz DRXMVFZMQUTAEU-UHFFFAOYSA-N -1 3 311.183 2.056 20 10 DECDHM COc1cc([O-])c(CN2CC(C)(OC)C2)cc1Br ZINC001233134957 802034347 /nfs/dbraw/zinc/03/43/47/802034347.db2.gz HWRIJGDIBQTTRF-UHFFFAOYSA-N -1 3 316.195 2.384 20 10 DECDHM O=C1CCC[C@]2(CCCN(Cc3c([O-])ccc(F)c3F)C2)N1 ZINC001233333711 802079910 /nfs/dbraw/zinc/07/99/10/802079910.db2.gz FKVUHPKLJJLPML-MRXNPFEDSA-N -1 3 310.344 2.305 20 10 DECDHM C[C@H](N[C@@H](C)c1c([O-])cccc1F)C(=O)NCC(F)(F)F ZINC001331229123 1149400550 /nfs/dbraw/zinc/40/05/50/1149400550.db2.gz HCHOSTVZTUCRDM-YUMQZZPRSA-N -1 3 308.275 2.249 20 10 DECDHM C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354442 994992222 /nfs/dbraw/zinc/99/22/22/994992222.db2.gz PZOHLEJATHHBIM-WFASDCNBSA-N -1 3 315.369 2.345 20 10 DECDHM CC[C@H]([NH2+]CC(C)(C)CCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055726 1070189451 /nfs/dbraw/zinc/18/94/51/1070189451.db2.gz OIOOGCKWDSOSJM-ZDUSSCGKSA-N -1 3 319.409 2.022 20 10 DECDHM CCOCCC[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604431097 1070383349 /nfs/dbraw/zinc/38/33/49/1070383349.db2.gz PRVAMGXKPGLLNW-CYBMUJFWSA-N -1 3 305.382 2.040 20 10 DECDHM COC1CCC([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001605029507 1070583136 /nfs/dbraw/zinc/58/31/36/1070583136.db2.gz MHTXVVVTNXELQD-UNXYVOJBSA-N -1 3 317.393 2.181 20 10 DECDHM COCC(C)(C)CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605043654 1070593470 /nfs/dbraw/zinc/59/34/70/1070593470.db2.gz ADKWOPVUIYRVHQ-NSHDSACASA-N -1 3 319.409 2.286 20 10 DECDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N1Cc2cccc(O)c2C1 ZINC001607083599 1071293638 /nfs/dbraw/zinc/29/36/38/1071293638.db2.gz JARSZLWFJICTSN-UHFFFAOYSA-N -1 3 324.300 2.001 20 10 DECDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N1Cc2cccc(O)c2C1 ZINC001607083599 1071293643 /nfs/dbraw/zinc/29/36/43/1071293643.db2.gz JARSZLWFJICTSN-UHFFFAOYSA-N -1 3 324.300 2.001 20 10 DECDHM COc1ccc2c(c1)CC[C@@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC001546126871 1058704191 /nfs/dbraw/zinc/70/41/91/1058704191.db2.gz HEWVGDUHTRYMPP-CYBMUJFWSA-N -1 3 313.353 2.394 20 10 DECDHM CC(C)OCCOC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001629777138 1078325891 /nfs/dbraw/zinc/32/58/91/1078325891.db2.gz XVLVKNDRLBAOKP-UHFFFAOYSA-N -1 3 323.389 2.144 20 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/nfs/dbraw/zinc/04/56/93/1077045693.db2.gz OHCVVRYJIKRVID-UHFFFAOYSA-N -1 3 322.372 2.441 20 10 DECDHM c1cc(N2CCCC2)ccc1OCc1cncc(-c2nn[n-]n2)c1 ZINC001593595150 1077045698 /nfs/dbraw/zinc/04/56/98/1077045698.db2.gz OHCVVRYJIKRVID-UHFFFAOYSA-N -1 3 322.372 2.441 20 10 DECDHM C[S@@](=O)Cc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001596913468 1077084481 /nfs/dbraw/zinc/08/44/81/1077084481.db2.gz ZSCVRMHBCAZNET-JOCHJYFZSA-N -1 3 321.373 2.340 20 10 DECDHM O=C(COCCOc1ccccc1)NCc1c([O-])cccc1F ZINC001596913145 1077084582 /nfs/dbraw/zinc/08/45/82/1077084582.db2.gz WLFOOCJDBFAAGS-UHFFFAOYSA-N -1 3 319.332 2.243 20 10 DECDHM O=C([O-])[C@H](NCc1cc2c(cc1O)OCO2)c1ccccc1F ZINC001608548421 1077654177 /nfs/dbraw/zinc/65/41/77/1077654177.db2.gz MXLGBQOKAQGCJW-OAHLLOKOSA-N -1 3 319.288 2.176 20 10 DECDHM Cc1cc(Cl)cc(C[N@H+](CC(=O)[O-])C2CCOCC2)c1[O-] ZINC001610462563 1078025140 /nfs/dbraw/zinc/02/51/40/1078025140.db2.gz MCKAGZTUHKZEFO-UHFFFAOYSA-N -1 3 313.781 2.420 20 10 DECDHM Cc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C2CCOCC2)c1[O-] ZINC001610462563 1078025143 /nfs/dbraw/zinc/02/51/43/1078025143.db2.gz MCKAGZTUHKZEFO-UHFFFAOYSA-N -1 3 313.781 2.420 20 10 DECDHM CS(=O)(=O)c1ccc(CNCc2cccc(Cl)c2[O-])o1 ZINC001658140969 1080198020 /nfs/dbraw/zinc/19/80/20/1080198020.db2.gz MGYMFIMWIFHVME-UHFFFAOYSA-N -1 3 315.778 2.332 20 10 DECDHM CCOC(=O)[C@@H](F)C1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001664843439 1080970673 /nfs/dbraw/zinc/97/06/73/1080970673.db2.gz OVICSPQPHXRWGA-ZDUSSCGKSA-N -1 3 301.745 2.379 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2CC3(CCN3C)C2)c1 ZINC001276776021 1083603432 /nfs/dbraw/zinc/60/34/32/1083603432.db2.gz WSXJVSKYZXKQBX-UHFFFAOYSA-N -1 3 311.223 2.353 20 10 DECDHM C[C@@]1(CO)CN(Cc2cc(Cl)c(Cl)cc2[O-])CC[C@H]1O ZINC001236794803 1138429649 /nfs/dbraw/zinc/42/96/49/1138429649.db2.gz UZOAJDULDARYIQ-KGLIPLIRSA-N -1 3 320.216 2.264 20 10 DECDHM COc1cc([O-])c(CN2C[C@H](F)C[C@@H](CO)C2)c(Cl)c1 ZINC001236797273 1138432229 /nfs/dbraw/zinc/43/22/29/1138432229.db2.gz 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COC(=O)CN(CCSC)Cc1cc(Cl)ccc1[O-] ZINC000178859566 402547877 /nfs/dbraw/zinc/54/78/77/402547877.db2.gz KTINJNOFOJLIHC-UHFFFAOYSA-N -1 3 303.811 2.384 20 10 DECDHM CCC[C@@H](CC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179483984 402591261 /nfs/dbraw/zinc/59/12/61/402591261.db2.gz LASYBMRKDGEBNO-SNVBAGLBSA-N -1 3 314.407 2.072 20 10 DECDHM O=C(/C=C\c1cncc([O-])c1)N1CCOc2cc(F)ccc21 ZINC000255180219 402681212 /nfs/dbraw/zinc/68/12/12/402681212.db2.gz UTLIMJNUQCBSJI-RJRFIUFISA-N -1 3 300.289 2.365 20 10 DECDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H](C)O1 ZINC000278164000 402861411 /nfs/dbraw/zinc/86/14/11/402861411.db2.gz DVZNREHSCGEPMS-ZYHUDNBSSA-N -1 3 310.350 2.308 20 10 DECDHM CC[C@]1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1 ZINC000278373925 402863656 /nfs/dbraw/zinc/86/36/56/402863656.db2.gz KYKZSFDXZNLQKY-OAHLLOKOSA-N -1 3 310.350 2.310 20 10 DECDHM CCCOc1ccc(CN2CCN(C(C)C)C(=O)C2)c([O-])c1 ZINC000272494759 402944219 /nfs/dbraw/zinc/94/42/19/402944219.db2.gz FSKJNTBEVKNTRX-UHFFFAOYSA-N -1 3 306.406 2.234 20 10 DECDHM COC[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCCO1 ZINC000279141201 402908449 /nfs/dbraw/zinc/90/84/49/402908449.db2.gz XKZRKKULJXHNRV-CABCVRRESA-N -1 3 311.353 2.018 20 10 DECDHM COc1cc(Cl)cc(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1[O-] ZINC000273706817 403027383 /nfs/dbraw/zinc/02/73/83/403027383.db2.gz FKTHWRQBMIANPT-ZLMDCXFVSA-N -1 3 317.838 2.396 20 10 DECDHM Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)[n-]c(=O)n1 ZINC000268947489 403121500 /nfs/dbraw/zinc/12/15/00/403121500.db2.gz ZWIPQUWQWXXPHS-UHFFFAOYSA-N -1 3 312.373 2.021 20 10 DECDHM COc1cc(Cl)cc(CN2CC[C@H](N3CCCC3=O)C2)c1[O-] ZINC000276822454 403195209 /nfs/dbraw/zinc/19/52/09/403195209.db2.gz PMOKQFPWZPPSPT-ZDUSSCGKSA-N -1 3 324.808 2.251 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC(n2cc(Cl)cn2)CC1 ZINC000365759611 404716140 /nfs/dbraw/zinc/71/61/40/404716140.db2.gz VCIMPOADIWMOMZ-UHFFFAOYSA-N -1 3 321.764 2.425 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@H](c3nccn3C)C2)c([O-])c1O ZINC000373117770 227105287 /nfs/dbraw/zinc/10/52/87/227105287.db2.gz KEZMOFJZOAVPLX-LBPRGKRZSA-N -1 3 315.373 2.160 20 10 DECDHM Cc1cc(Cl)cc(CN2CCC[C@]3(CNC(=O)O3)C2)c1[O-] ZINC000373639896 227114882 /nfs/dbraw/zinc/11/48/82/227114882.db2.gz OTEKNUNEPZCXOY-HNNXBMFYSA-N -1 3 310.781 2.428 20 10 DECDHM COc1cc(Cl)cc(CN2CCN(C)C(=O)C2(C)C)c1[O-] ZINC000184698331 277378919 /nfs/dbraw/zinc/37/89/19/277378919.db2.gz XLSHFHHPQHATBA-UHFFFAOYSA-N -1 3 312.797 2.107 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000273580570 277435407 /nfs/dbraw/zinc/43/54/07/277435407.db2.gz MOTMPTSGQQBLHL-QWRGUYRKSA-N -1 3 322.405 2.133 20 10 DECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1c([O-])ccc(Cl)c1F ZINC000364586607 303319428 /nfs/dbraw/zinc/31/94/28/303319428.db2.gz ZJRIHFOEHJTRCV-NUPCCRGMSA-N -1 3 312.772 2.271 20 10 DECDHM Cc1cc(CN2CCN(Cc3cc(F)ccc3[O-])CC2)no1 ZINC000179889493 524696975 /nfs/dbraw/zinc/69/69/75/524696975.db2.gz GQPPLPRFBKQKJN-UHFFFAOYSA-N -1 3 305.353 2.146 20 10 DECDHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c([O-])c1O ZINC000182902182 526207032 /nfs/dbraw/zinc/20/70/32/526207032.db2.gz BCGWHLIQSGFNSL-MAZHCROVSA-N -1 3 317.385 2.484 20 10 DECDHM COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H](C(=O)[O-])C3)c2c1 ZINC000818614368 597539002 /nfs/dbraw/zinc/53/90/02/597539002.db2.gz SNRJJTKSPMIBBD-LBPRGKRZSA-N -1 3 301.342 2.461 20 10 DECDHM COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H](C(=O)[O-])C3)c2c1 ZINC000818614368 597539003 /nfs/dbraw/zinc/53/90/03/597539003.db2.gz SNRJJTKSPMIBBD-LBPRGKRZSA-N -1 3 301.342 2.461 20 10 DECDHM Cc1cc(Br)cc(C[N@H+](C)CCC(=O)[O-])c1[O-] ZINC000820953809 598182179 /nfs/dbraw/zinc/18/21/79/598182179.db2.gz DNWJBHQCGHXQGS-UHFFFAOYSA-N -1 3 302.168 2.370 20 10 DECDHM Cc1cc(Br)cc(C[N@@H+](C)CCC(=O)[O-])c1[O-] ZINC000820953809 598182180 /nfs/dbraw/zinc/18/21/80/598182180.db2.gz DNWJBHQCGHXQGS-UHFFFAOYSA-N -1 3 302.168 2.370 20 10 DECDHM O=C([O-])C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCO1 ZINC000316700127 601373800 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ZINC001233140691 802034806 /nfs/dbraw/zinc/03/48/06/802034806.db2.gz REGWSFNVTJQGOP-UWVGGRQHSA-N -1 3 314.179 2.136 20 10 DECDHM CCO[C@@H]1CN(Cc2c([O-])ccc(F)c2F)[C@@H]2CCCO[C@H]12 ZINC001233332994 802080950 /nfs/dbraw/zinc/08/09/50/802080950.db2.gz FUJYZGVKWLMCNC-XPKDYRNWSA-N -1 3 313.344 2.439 20 10 DECDHM O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236457947 960630565 /nfs/dbraw/zinc/63/05/65/960630565.db2.gz IWSOTPPQBFVKKP-GFCCVEGCSA-N -1 3 307.243 2.370 20 10 DECDHM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236457947 960630575 /nfs/dbraw/zinc/63/05/75/960630575.db2.gz IWSOTPPQBFVKKP-GFCCVEGCSA-N -1 3 307.243 2.370 20 10 DECDHM C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC001599930493 985305306 /nfs/dbraw/zinc/30/53/06/985305306.db2.gz YCDPLWGNKOOCDZ-ZBEGNZNMSA-N -1 3 301.342 2.219 20 10 DECDHM C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC001599930493 985305313 /nfs/dbraw/zinc/30/53/13/985305313.db2.gz YCDPLWGNKOOCDZ-ZBEGNZNMSA-N -1 3 301.342 2.219 20 10 DECDHM COCC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1 ZINC001599199716 997281839 /nfs/dbraw/zinc/28/18/39/997281839.db2.gz PQXMYQYAPKEOMV-LBPRGKRZSA-N -1 3 323.389 2.184 20 10 DECDHM C[C@@H]([NH2+]CCN1CCC(C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594420240 999569292 /nfs/dbraw/zinc/56/92/92/999569292.db2.gz VMCZUKXJDBLAAR-CYBMUJFWSA-N -1 3 306.406 2.473 20 10 DECDHM C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccn1 ZINC001603552234 1069987319 /nfs/dbraw/zinc/98/73/19/1069987319.db2.gz UUIGQCYOKRQVPL-NEPJUHHUSA-N -1 3 324.388 2.422 20 10 DECDHM CNC(=O)c1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001464966908 1059235873 /nfs/dbraw/zinc/23/58/73/1059235873.db2.gz XJTSWEIRWMRANQ-UHFFFAOYSA-N -1 3 317.320 2.213 20 10 DECDHM Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1C(N)=O ZINC001465537017 1059325309 /nfs/dbraw/zinc/32/53/09/1059325309.db2.gz QOCSCRUVMMHZJO-UHFFFAOYSA-N -1 3 317.320 2.260 20 10 DECDHM O=C1Nc2ccccc2C[C@H]1NCc1cc(F)cc(F)c1[O-] ZINC001474233968 1060833961 /nfs/dbraw/zinc/83/39/61/1060833961.db2.gz GORLTQDEOGEXOI-CQSZACIVSA-N -1 3 304.296 2.323 20 10 DECDHM CS(=O)(=O)[C@H]1CCCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001474481775 1060879528 /nfs/dbraw/zinc/87/95/28/1060879528.db2.gz GOMHBRMOLMQGCF-ZDUSSCGKSA-N -1 3 317.838 2.445 20 10 DECDHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)c1noc(C)n1 ZINC001478122545 1061215022 /nfs/dbraw/zinc/21/50/22/1061215022.db2.gz VGRCJUYESAKVCI-NSHDSACASA-N -1 3 308.313 2.173 20 10 DECDHM O=C(NCc1n[nH]c(C2CC2)n1)NCc1cccc(Cl)c1[O-] ZINC001478715206 1061259955 /nfs/dbraw/zinc/25/99/55/1061259955.db2.gz HAGXLUFKTWJNHK-UHFFFAOYSA-N -1 3 321.768 2.041 20 10 DECDHM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001567467581 1064212523 /nfs/dbraw/zinc/21/25/23/1064212523.db2.gz MPKFSLSJMDHOPI-SNVBAGLBSA-N -1 3 319.332 2.232 20 10 DECDHM O=C1N[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@H]2CO1 ZINC001621425344 1078173989 /nfs/dbraw/zinc/17/39/89/1078173989.db2.gz UQMQQCHIWXEVJK-QPUJVOFHSA-N -1 3 314.744 2.115 20 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ZINC001601847855 1077462485 /nfs/dbraw/zinc/46/24/85/1077462485.db2.gz FIBLPSLHVZREDV-UHFFFAOYSA-N -1 3 313.353 2.488 20 10 DECDHM O=C([O-])[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001602203225 1077524014 /nfs/dbraw/zinc/52/40/14/1077524014.db2.gz SWPRVKICZTUFAQ-DOTOQJQBSA-N -1 3 313.353 2.391 20 10 DECDHM O=C(CCN1CC[C@@H](F)C1)NCc1cccc(Cl)c1[O-] ZINC001653567171 1079932338 /nfs/dbraw/zinc/93/23/38/1079932338.db2.gz NZHNXYUIECJZQA-LLVKDONJSA-N -1 3 300.761 2.096 20 10 DECDHM Cc1ccc(CS(=O)(=O)NCc2c([O-])cccc2F)cc1 ZINC001665657735 1081057656 /nfs/dbraw/zinc/05/76/56/1081057656.db2.gz KBUROAPAWAMLIJ-UHFFFAOYSA-N -1 3 309.362 2.459 20 10 DECDHM O=C([O-])c1ccc(O)c(CN2CC3(CCN3C3CCCC3)C2)c1 ZINC001276056497 1091495578 /nfs/dbraw/zinc/49/55/78/1091495578.db2.gz ZGKYVIJXMGPDDK-UHFFFAOYSA-N -1 3 316.401 2.293 20 10 DECDHM CCNC(=O)[C@@H]1CCCN1Cc1c([O-])cc(OC)cc1Cl ZINC001236805584 1138433721 /nfs/dbraw/zinc/43/37/21/1138433721.db2.gz IGAPPUXTZKCAER-ZDUSSCGKSA-N -1 3 312.797 2.155 20 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OYFDQUQGGWUOKK-UHFFFAOYSA-N -1 3 300.314 2.179 20 10 DECDHM CCCCNC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976030 354893451 /nfs/dbraw/zinc/89/34/51/354893451.db2.gz YEWNMNXBESOMFK-MRXNPFEDSA-N -1 3 320.433 2.290 20 10 DECDHM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cccc(O)c1[O-] ZINC000369624460 533281045 /nfs/dbraw/zinc/28/10/45/533281045.db2.gz YXSBZUYPGYCSQA-ZDUSSCGKSA-N -1 3 315.325 2.360 20 10 DECDHM Cc1ccc(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c([O-])c1O ZINC000272765004 130061138 /nfs/dbraw/zinc/06/11/38/130061138.db2.gz QXVLPEMLGCNMHP-MEDUHNTESA-N -1 3 323.414 2.191 20 10 DECDHM COCCc1ccnc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000286048082 131217481 /nfs/dbraw/zinc/21/74/81/131217481.db2.gz BXLJAGSOBDFWHQ-UHFFFAOYSA-N -1 3 302.330 2.242 20 10 DECDHM C[C@@H](NCC(F)(F)CO)c1cc(Br)ccc1[O-] ZINC000184694066 402291766 /nfs/dbraw/zinc/29/17/66/402291766.db2.gz DMEIVXUFQHSPSG-SSDOTTSWSA-N -1 3 310.138 2.433 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c([O-])c1O ZINC000179456081 402590681 /nfs/dbraw/zinc/59/06/81/402590681.db2.gz QDODDWCZCFADPN-LLVKDONJSA-N -1 3 301.346 2.149 20 10 DECDHM Cc1ccc(C(=O)NC[C@@](C)(O)c2ccsc2)c([O-])c1O ZINC000179528717 402593597 /nfs/dbraw/zinc/59/35/97/402593597.db2.gz ZTUSTFFPDPHTRF-OAHLLOKOSA-N -1 3 307.371 2.105 20 10 DECDHM CCCOc1ccc(CN2CCOC[C@]23CCOC3)c([O-])c1 ZINC000195017357 402826807 /nfs/dbraw/zinc/82/68/07/402826807.db2.gz DVNJZAMYZPGMTK-QGZVFWFLSA-N -1 3 307.390 2.172 20 10 DECDHM CC(C)(C)OC(=O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000280368407 402993001 /nfs/dbraw/zinc/99/30/01/402993001.db2.gz CKOHIPRQLFUBDY-UHFFFAOYSA-N -1 3 321.373 2.292 20 10 DECDHM COC(=O)[C@H](NCc1cc(-c2ccccc2)ccc1[O-])[C@H](C)O ZINC000276438462 403175167 /nfs/dbraw/zinc/17/51/67/403175167.db2.gz IKHQAAMABVQIHZ-YVEFUNNKSA-N -1 3 315.369 2.071 20 10 DECDHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC000282248361 403136621 /nfs/dbraw/zinc/13/66/21/403136621.db2.gz VQNWMGZOMMSFNX-RZFFKMDDSA-N -1 3 319.401 2.500 20 10 DECDHM CC[C@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000286178821 403465862 /nfs/dbraw/zinc/46/58/62/403465862.db2.gz QSAVIGBEYJTQKN-JTQLQIEISA-N -1 3 308.275 2.251 20 10 DECDHM C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cccc(Cl)c1[O-] ZINC000377633479 404841239 /nfs/dbraw/zinc/84/12/39/404841239.db2.gz UVVAQXSWAFHJDL-OCCSQVGLSA-N -1 3 310.825 2.341 20 10 DECDHM COC(=O)[C@@H]1CN(C(=O)/C=C\c2cncc([O-])c2)c2ccccc21 ZINC000492036751 406818306 /nfs/dbraw/zinc/81/83/06/406818306.db2.gz XNPNDYDIPFSZOX-IDTUSYRASA-N -1 3 324.336 2.104 20 10 DECDHM Cc1ccc(C(=O)N2CCC([C@H]3CCOC3)CC2)c([O-])c1O ZINC000371777775 227078369 /nfs/dbraw/zinc/07/83/69/227078369.db2.gz LKAYBHBZJRZTQK-ZDUSSCGKSA-N -1 3 305.374 2.295 20 10 DECDHM O=C1NCCN(Cc2ccccc2[O-])[C@@H]1c1ccccc1F ZINC000371803793 227079548 /nfs/dbraw/zinc/07/95/48/227079548.db2.gz RIKIQJKVULTDFT-MRXNPFEDSA-N -1 3 300.333 2.204 20 10 DECDHM Cc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c([O-])c1O ZINC000182900839 526216594 /nfs/dbraw/zinc/21/65/94/526216594.db2.gz ZPKVOEQXXKDRTE-UGFHNGPFSA-N -1 3 303.358 2.094 20 10 DECDHM CCOC1CC2(C1)CCN(C(=O)c1ccc(C)c(O)c1[O-])C2 ZINC000286797899 535396378 /nfs/dbraw/zinc/39/63/78/535396378.db2.gz WEXVHXFZWVPDBT-UHFFFAOYSA-N -1 3 305.374 2.437 20 10 DECDHM CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC000820418735 598198273 /nfs/dbraw/zinc/19/82/73/598198273.db2.gz CVHKNEQZZQGMJF-SNVBAGLBSA-N -1 3 302.168 2.416 20 10 DECDHM CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736575803 598610191 /nfs/dbraw/zinc/61/01/91/598610191.db2.gz JUQKNADZJCYNFN-UHFFFAOYSA-N -1 3 310.361 2.024 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(N(C)CCO)cc2)c([O-])c1O ZINC000182947891 625283410 /nfs/dbraw/zinc/28/34/10/625283410.db2.gz XGLUVWCAENINSW-UHFFFAOYSA-N -1 3 316.357 2.087 20 10 DECDHM C[C@@H](N[C@H]1CNOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000925870650 635976157 /nfs/dbraw/zinc/97/61/57/635976157.db2.gz ZYEKMJPYTVQORI-SVRRBLITSA-N -1 3 321.602 2.362 20 10 DECDHM CCc1nc(C)c(CNC(=O)NCc2c([O-])cccc2F)o1 ZINC000922593346 636262418 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CC[C@@H](CNC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000928686874 639415167 /nfs/dbraw/zinc/41/51/67/639415167.db2.gz NQPLBTLFGFPQIQ-JTQLQIEISA-N -1 3 309.362 2.196 20 10 DECDHM CCCC(=O)N1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928712753 639492361 /nfs/dbraw/zinc/49/23/61/639492361.db2.gz YXMSBZJLOGKGRZ-LBPRGKRZSA-N -1 3 322.380 2.186 20 10 DECDHM CN(C)C(=O)NCCN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000757868103 639890054 /nfs/dbraw/zinc/89/00/54/639890054.db2.gz VYVLTRQQWZONDU-UHFFFAOYSA-N -1 3 320.220 2.402 20 10 DECDHM COC(=O)[C@@H](COC(C)C)N(C)Cc1c([O-])cccc1Cl ZINC000770354846 641359784 /nfs/dbraw/zinc/35/97/84/641359784.db2.gz JCBBRUREIPAOCY-CYBMUJFWSA-N -1 3 315.797 2.444 20 10 DECDHM Cc1nccnc1[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000923991321 641442813 /nfs/dbraw/zinc/44/28/13/641442813.db2.gz REWBFTGRUMWEFO-SNVBAGLBSA-N -1 3 304.325 2.190 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cc2n(n1)CCCC2 ZINC000898394802 641646393 /nfs/dbraw/zinc/64/63/93/641646393.db2.gz 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C[C@@H]([NH2+]Cc1cccc(CO)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593304553 994749952 /nfs/dbraw/zinc/74/99/52/994749952.db2.gz OFQTXLJYPIUTRL-LLVKDONJSA-N -1 3 301.342 2.434 20 10 DECDHM CC[C@H]([NH2+]C[C@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056253 1070189507 /nfs/dbraw/zinc/18/95/07/1070189507.db2.gz RLNSFKDYIUOPDM-RISCZKNCSA-N -1 3 317.393 2.040 20 10 DECDHM CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604127750 1070233895 /nfs/dbraw/zinc/23/38/95/1070233895.db2.gz FNSLFNREGQQICC-XJKSGUPXSA-N -1 3 319.409 2.164 20 10 DECDHM C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329131 1070330730 /nfs/dbraw/zinc/33/07/30/1070330730.db2.gz IDYMQZVEMAMSPD-MDZLAQPJSA-N -1 3 304.390 2.366 20 10 DECDHM C[C@H]([NH2+]CCCOC1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604343017 1070340650 /nfs/dbraw/zinc/34/06/50/1070340650.db2.gz OXBFLDXBIDZKAZ-LBPRGKRZSA-N -1 3 323.389 2.327 20 10 DECDHM CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605143893 1070623825 /nfs/dbraw/zinc/62/38/25/1070623825.db2.gz ILBMUEKGBAAFAH-ZLKJLUDKSA-N -1 3 317.393 2.181 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccnc(-n2cccn2)c1 ZINC001456026481 1057807834 /nfs/dbraw/zinc/80/78/34/1057807834.db2.gz AFGNYPLCPNLYAB-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM COc1ccnc(OC)c1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001471785991 1060296499 /nfs/dbraw/zinc/29/64/99/1060296499.db2.gz SZMBIKSOEKMIIZ-UHFFFAOYSA-N -1 3 304.302 2.071 20 10 DECDHM COC(=O)c1ccnc(NCc2c([O-])cccc2F)c1[N+](=O)[O-] ZINC001472883227 1060602768 /nfs/dbraw/zinc/60/27/68/1060602768.db2.gz KRJAGIJAYDFNEV-UHFFFAOYSA-N -1 3 321.264 2.233 20 10 DECDHM CN(Cc1ccccc1)C(=O)CNCc1cc(F)cc(F)c1[O-] ZINC001473941788 1060776156 /nfs/dbraw/zinc/77/61/56/1060776156.db2.gz ZMGFTSJRFVRHEE-UHFFFAOYSA-N -1 3 320.339 2.419 20 10 DECDHM CSc1ccc([O-])c(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC001631517073 1078366784 /nfs/dbraw/zinc/36/67/84/1078366784.db2.gz VIWDQAYPNJMWOZ-UHFFFAOYSA-N -1 3 319.382 2.498 20 10 DECDHM O=C(NCc1cccc2c1OCC2)NCc1c([O-])cccc1F ZINC001638636473 1078575373 /nfs/dbraw/zinc/57/53/73/1078575373.db2.gz UQFXJXQMSIWOOT-UHFFFAOYSA-N -1 3 316.332 2.466 20 10 DECDHM Cc1nc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])[nH]c1C ZINC001645370481 1078897668 /nfs/dbraw/zinc/89/76/68/1078897668.db2.gz IPQRQSSEUNIMMQ-GFCCVEGCSA-N -1 3 301.346 2.415 20 10 DECDHM CN=[S@@](C)(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001556608030 1075037989 /nfs/dbraw/zinc/03/79/89/1075037989.db2.gz XYSRVIMKKMXDSA-QFIPXVFZSA-N -1 3 320.370 2.437 20 10 DECDHM COc1ccccc1OCC(=O)NCc1c([O-])cccc1F ZINC001558454447 1075094529 /nfs/dbraw/zinc/09/45/29/1075094529.db2.gz ATLWKFBJCVJKLS-UHFFFAOYSA-N -1 3 305.305 2.235 20 10 DECDHM CCN(Cc1cncc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC001590721599 1076670887 /nfs/dbraw/zinc/67/08/87/1076670887.db2.gz QRGDOANOCFUZGQ-UHFFFAOYSA-N -1 3 310.361 2.297 20 10 DECDHM CCN(Cc1cncc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC001590721599 1076670888 /nfs/dbraw/zinc/67/08/88/1076670888.db2.gz QRGDOANOCFUZGQ-UHFFFAOYSA-N -1 3 310.361 2.297 20 10 DECDHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1O ZINC001591729473 1076779616 /nfs/dbraw/zinc/77/96/16/1076779616.db2.gz SUJHDOADTGXRMZ-SNVBAGLBSA-N -1 3 309.329 2.063 20 10 DECDHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1O ZINC001591729473 1076779618 /nfs/dbraw/zinc/77/96/18/1076779618.db2.gz SUJHDOADTGXRMZ-SNVBAGLBSA-N -1 3 309.329 2.063 20 10 DECDHM Cc1ccc(C=CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cn1 ZINC001592145322 1076858395 /nfs/dbraw/zinc/85/83/95/1076858395.db2.gz YVOWIAHXXMCQNT-MDZDMXLPSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ccc(C=CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cn1 ZINC001592145322 1076858398 /nfs/dbraw/zinc/85/83/98/1076858398.db2.gz YVOWIAHXXMCQNT-MDZDMXLPSA-N -1 3 320.356 2.246 20 10 DECDHM C[C@H](N[C@@H](CCO)c1ccco1)c1cc(C(=O)[O-])ccc1O ZINC001609776071 1077920815 /nfs/dbraw/zinc/92/08/15/1077920815.db2.gz PJASALONMIJFLB-GWCFXTLKSA-N -1 3 305.330 2.458 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cccc(-c2nc[nH]n2)c1 ZINC001652298404 1079865082 /nfs/dbraw/zinc/86/50/82/1079865082.db2.gz JRONUVVQHNKOAL-UHFFFAOYSA-N -1 3 312.304 2.246 20 10 DECDHM CN1c2ccccc2C[C@@H](NCc2cc(F)cc(F)c2[O-])C1=O ZINC001657658818 1080182102 /nfs/dbraw/zinc/18/21/02/1080182102.db2.gz PIHVRWWPUVIYRT-CQSZACIVSA-N -1 3 318.323 2.348 20 10 DECDHM Cc1cc([O-])c(CN2CC[C@@](F)(CO)C2)cc1Br ZINC001237677375 1080472505 /nfs/dbraw/zinc/47/25/05/1080472505.db2.gz MMLSTWFEKJYVIJ-ZDUSSCGKSA-N -1 3 318.186 2.369 20 10 DECDHM CCOCCO[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001663619002 1080790599 /nfs/dbraw/zinc/79/05/99/1080790599.db2.gz XPKKAABXUPCTHU-LBPRGKRZSA-N -1 3 301.333 2.298 20 10 DECDHM CN1C[C@@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@H](C1)O2 ZINC001276818788 1083630310 /nfs/dbraw/zinc/63/03/10/1083630310.db2.gz JBFPUJPSTWYNOE-AOOOYVTPSA-N -1 3 317.216 2.214 20 10 DECDHM [O-]c1cc(Cl)c(F)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC001237946229 1138811875 /nfs/dbraw/zinc/81/18/75/1138811875.db2.gz HNPJMXWBCUBSTM-LBPRGKRZSA-N -1 3 314.788 2.091 20 10 DECDHM O=C1NC[C@]2(CCCN(Cc3cc(F)c(Cl)cc3[O-])C2)O1 ZINC001237950703 1138812448 /nfs/dbraw/zinc/81/24/48/1138812448.db2.gz ZFUIYDARUQFDKY-AWEZNQCLSA-N -1 3 314.744 2.259 20 10 DECDHM O=C(NCc1ccc(Br)o1)c1cccc(O)c1[O-] ZINC000386121916 1144505518 /nfs/dbraw/zinc/50/55/18/1144505518.db2.gz WDDKLSWOEQPNEC-UHFFFAOYSA-N -1 3 312.119 2.383 20 10 DECDHM Cc1nc2ccnn2c(C)c1C(=O)NCc1c([O-])cccc1F ZINC001303876122 1147337440 /nfs/dbraw/zinc/33/74/40/1147337440.db2.gz VNXSMPKULGYJON-UHFFFAOYSA-N -1 3 314.320 2.121 20 10 DECDHM C[S@](=O)c1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001306899035 1147393328 /nfs/dbraw/zinc/39/33/28/1147393328.db2.gz WPVPSUXZRALGGA-NRFANRHFSA-N -1 3 307.346 2.199 20 10 DECDHM COc1ccsc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001309878408 1147508808 /nfs/dbraw/zinc/50/88/08/1147508808.db2.gz FKXPUATYKCNOAN-UHFFFAOYSA-N -1 3 317.363 2.080 20 10 DECDHM CNC(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001310000444 1147512310 /nfs/dbraw/zinc/51/23/10/1147512310.db2.gz HNUJEQRMJHKARD-UHFFFAOYSA-N -1 3 317.320 2.213 20 10 DECDHM CCCCN1CC(=O)N[C@H]1c1cc(Br)ccc1[O-] ZINC000077475160 355207743 /nfs/dbraw/zinc/20/77/43/355207743.db2.gz CQFMFLWXCJWMQS-CYBMUJFWSA-N -1 3 313.195 2.385 20 10 DECDHM O=S1(=O)CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000093047646 355665198 /nfs/dbraw/zinc/66/51/98/355665198.db2.gz DOMWYWLQPZQFLO-UHFFFAOYSA-N -1 3 317.410 2.290 20 10 DECDHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000274994811 130280051 /nfs/dbraw/zinc/28/00/51/130280051.db2.gz ZTMDAOBLFFFBMZ-AWEZNQCLSA-N -1 3 322.405 2.118 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2nncn2C)c1[O-] ZINC000275202686 130298517 /nfs/dbraw/zinc/29/85/17/130298517.db2.gz QRXSZJNZLPSHAA-QMMMGPOBSA-N -1 3 308.769 2.228 20 10 DECDHM COc1cc(Cl)cc(CN2CCNC(=O)[C@@H]2C(C)C)c1[O-] ZINC000184688491 402292148 /nfs/dbraw/zinc/29/21/48/402292148.db2.gz DDXUEDAFEAWAGF-ZDUSSCGKSA-N -1 3 312.797 2.011 20 10 DECDHM Cc1noc(C)c1CN1CCN(Cc2ccccc2[O-])CC1 ZINC000179560081 402594682 /nfs/dbraw/zinc/59/46/82/402594682.db2.gz IZRVVXMTCHLUQW-UHFFFAOYSA-N -1 3 301.390 2.315 20 10 DECDHM COC(=O)[C@H]1CN(Cc2cc(Cl)cc(C)c2[O-])C[C@@H](C)O1 ZINC000180731929 402624668 /nfs/dbraw/zinc/62/46/68/402624668.db2.gz NNVDMVAQNHIKJF-ZWNOBZJWSA-N -1 3 313.781 2.116 20 10 DECDHM Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c([O-])c1O ZINC000182606665 402703830 /nfs/dbraw/zinc/70/38/30/402703830.db2.gz ZEQPTTADWROMSR-SMDDNHRTSA-N -1 3 315.373 2.326 20 10 DECDHM O=S1(=O)CCN(Cc2ccccc2[O-])CC12CCCCC2 ZINC000271451019 402872239 /nfs/dbraw/zinc/87/22/39/402872239.db2.gz UPAVBDBRNPTPBJ-UHFFFAOYSA-N -1 3 309.431 2.326 20 10 DECDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000268911744 403121179 /nfs/dbraw/zinc/12/11/79/403121179.db2.gz VLKGCDJXQVULAV-UHFFFAOYSA-N -1 3 314.389 2.219 20 10 DECDHM COc1cc(Cl)cc(CN2CC[C@H](C)[S@@](=O)CC2)c1[O-] ZINC000277348396 403207979 /nfs/dbraw/zinc/20/79/79/403207979.db2.gz DHRWIFMVHULCFU-FVINQWEUSA-N -1 3 317.838 2.397 20 10 DECDHM C[C@H]1C[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277437480 403217590 /nfs/dbraw/zinc/21/75/90/403217590.db2.gz SCRJLXWYKXWMBL-VHSXEESVSA-N -1 3 308.765 2.466 20 10 DECDHM COC(=O)[C@@H](NCc1cc(Br)ccc1[O-])C1CC1 ZINC000276467554 403178126 /nfs/dbraw/zinc/17/81/26/403178126.db2.gz MGTDLWMLLDPKSZ-LBPRGKRZSA-N -1 3 314.179 2.196 20 10 DECDHM CCCOc1ccc(CN2CCn3cnnc3[C@H]2C)c([O-])c1 ZINC000276721832 403192934 /nfs/dbraw/zinc/19/29/34/403192934.db2.gz ACZDDGDKZMJWOJ-GFCCVEGCSA-N -1 3 302.378 2.349 20 10 DECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](OCCO)C1 ZINC000295289872 403834217 /nfs/dbraw/zinc/83/42/17/403834217.db2.gz JDVLDEBYPACWMV-NSHDSACASA-N -1 3 303.761 2.158 20 10 DECDHM CC[C@H](C)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000295337577 403866361 /nfs/dbraw/zinc/86/63/61/403866361.db2.gz XZEBJKKILYMKTA-LBPRGKRZSA-N -1 3 323.393 2.225 20 10 DECDHM CNC(=O)[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295506229 403961900 /nfs/dbraw/zinc/96/19/00/403961900.db2.gz YUJDUOSLUBVORC-SECBINFHSA-N -1 3 300.761 2.143 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nnc(C3CC3)[nH]2)c1 ZINC000296279171 404176048 /nfs/dbraw/zinc/17/60/48/404176048.db2.gz DZEMWBIACJVETF-SECBINFHSA-N -1 3 316.361 2.025 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nnc(C(C)C)[nH]2)c1 ZINC000296625741 404311049 /nfs/dbraw/zinc/31/10/49/404311049.db2.gz XCFFGPNJEYUQHI-JTQLQIEISA-N -1 3 318.377 2.271 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2n[nH]c(C(C)C)n2)c1 ZINC000296625741 404311051 /nfs/dbraw/zinc/31/10/51/404311051.db2.gz XCFFGPNJEYUQHI-JTQLQIEISA-N -1 3 318.377 2.271 20 10 DECDHM CCn1ccnc1CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000834878565 649857180 /nfs/dbraw/zinc/85/71/80/649857180.db2.gz FCXPGUQZCDGWDO-NSHDSACASA-N -1 3 303.362 2.246 20 10 DECDHM CCN1CCN([C@@H]2CCN(Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000180069369 521693307 /nfs/dbraw/zinc/69/33/07/521693307.db2.gz IJPNGZXUGBDRIC-OAHLLOKOSA-N -1 3 323.868 2.257 20 10 DECDHM O=C1N[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)CC[C@@H]2CO1 ZINC000369705153 534801202 /nfs/dbraw/zinc/80/12/02/534801202.db2.gz VIKAMSDFCVUQQZ-KCJUWKMLSA-N -1 3 314.744 2.115 20 10 DECDHM Cc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCCC3)c([O-])c1O ZINC000182902238 526216821 /nfs/dbraw/zinc/21/68/21/526216821.db2.gz BCGWHLIQSGFNSL-KCXAZCMYSA-N -1 3 317.385 2.484 20 10 DECDHM O=C(CSc1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737953181 598569940 /nfs/dbraw/zinc/56/99/40/598569940.db2.gz HIXQTAQRTJNJOE-UHFFFAOYSA-N -1 3 303.372 2.298 20 10 DECDHM O=C(CSc1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737953181 598569941 /nfs/dbraw/zinc/56/99/41/598569941.db2.gz HIXQTAQRTJNJOE-UHFFFAOYSA-N -1 3 303.372 2.298 20 10 DECDHM Cc1ccc(-c2nnn[n-]2)nc1NCc1ccc(N(C)C)cc1 ZINC000826280735 608540996 /nfs/dbraw/zinc/54/09/96/608540996.db2.gz NVHHMDHSNWFVAB-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)OCO2 ZINC000825954297 609173225 /nfs/dbraw/zinc/17/32/25/609173225.db2.gz YZQIJFAQAFWZDI-UHFFFAOYSA-N -1 3 315.358 2.293 20 10 DECDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)OCO2 ZINC000825954297 609173228 /nfs/dbraw/zinc/17/32/28/609173228.db2.gz YZQIJFAQAFWZDI-UHFFFAOYSA-N -1 3 315.358 2.293 20 10 DECDHM [O-]c1c(F)cc(F)cc1CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000895443169 638021365 /nfs/dbraw/zinc/02/13/65/638021365.db2.gz CIYMZWXEQGBQBQ-WCBMZHEXSA-N -1 3 311.250 2.273 20 10 DECDHM CN(C)C(=O)C1(NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000840958788 650394961 /nfs/dbraw/zinc/39/49/61/650394961.db2.gz SOLNBGKNZPEEMC-UHFFFAOYSA-N -1 3 303.189 2.409 20 10 DECDHM O=C(CC1CCC2(CC1)OCCO2)NCc1c([O-])cccc1F ZINC000928708702 639488148 /nfs/dbraw/zinc/48/81/48/639488148.db2.gz RAKFBIYYIXVJRZ-UHFFFAOYSA-N -1 3 323.364 2.471 20 10 DECDHM C[C@H]1CC2(CC(NC(=O)NCc3c([O-])cccc3F)C2)CO1 ZINC000897790453 640933869 /nfs/dbraw/zinc/93/38/69/640933869.db2.gz VNXYNRPIDXOZIG-SGWRBKMISA-N -1 3 308.353 2.288 20 10 DECDHM [O-]c1cccc(Br)c1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898187779 641054098 /nfs/dbraw/zinc/05/40/98/641054098.db2.gz IZYFWVPNGJOYSB-ZYHUDNBSSA-N -1 3 304.159 2.059 20 10 DECDHM COc1c([O-])c(CNc2cccc(C(N)=O)c2)ccc1[N+](=O)[O-] ZINC000774933244 641982949 /nfs/dbraw/zinc/98/29/49/641982949.db2.gz BKXMYSGGQLOESY-UHFFFAOYSA-N -1 3 317.301 2.020 20 10 DECDHM COc1c([O-])c(C[NH2+]Cc2ccccc2[O-])ccc1[N+](=O)[O-] ZINC000774990403 641991099 /nfs/dbraw/zinc/99/10/99/641991099.db2.gz TZMVMZSRAJHCFJ-UHFFFAOYSA-N -1 3 304.302 2.304 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@H]1C1CCOCC1 ZINC000923942070 641993932 /nfs/dbraw/zinc/99/39/32/641993932.db2.gz MHWWOWNMTLJMKI-SMDDNHRTSA-N -1 3 308.353 2.146 20 10 DECDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000779005998 642454645 /nfs/dbraw/zinc/45/46/45/642454645.db2.gz PSZRRKKAMGYBJY-AWEZNQCLSA-N -1 3 319.336 2.365 20 10 DECDHM O=C(Nc1cccc(-n2cc[nH]c2=O)c1)c1cccc(O)c1[O-] ZINC000790562331 643867209 /nfs/dbraw/zinc/86/72/09/643867209.db2.gz WYNOMUUNYXHVTL-UHFFFAOYSA-N -1 3 311.297 2.241 20 10 DECDHM CC(C)C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC(C)C ZINC000790716956 643885127 /nfs/dbraw/zinc/88/51/27/643885127.db2.gz GUGNOLUNIJBTIJ-LBPRGKRZSA-N -1 3 309.362 2.194 20 10 DECDHM COc1cccc(O[C@H](C)CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790793047 643894896 /nfs/dbraw/zinc/89/48/96/643894896.db2.gz PKKUYTDKTYECDC-LLVKDONJSA-N -1 3 317.341 2.304 20 10 DECDHM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1cccc(O)c1[O-] ZINC000790908179 643907526 /nfs/dbraw/zinc/90/75/26/643907526.db2.gz MRWPDJDPWILADH-IRUJWGPZSA-N -1 3 311.428 2.207 20 10 DECDHM O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1cccc(O)c1[O-] ZINC000790943249 643912223 /nfs/dbraw/zinc/91/22/23/643912223.db2.gz IEJHBLRANLWBRR-UHFFFAOYSA-N -1 3 316.288 2.374 20 10 DECDHM CCCN(Cc1cc(F)ccc1[O-])[C@@H](COC)C(=O)OCC ZINC000792184555 644086641 /nfs/dbraw/zinc/08/66/41/644086641.db2.gz HEBXNRSVDHXUTA-AWEZNQCLSA-N -1 3 313.369 2.321 20 10 DECDHM CS(=O)(=O)[C@@H]1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000800534000 645285199 /nfs/dbraw/zinc/28/51/99/645285199.db2.gz IGAFHOPKRGRDTK-LLVKDONJSA-N -1 3 317.838 2.445 20 10 DECDHM Cc1cc(C)cc([C@H](O)CNC(=O)c2cccc(O)c2[O-])c1 ZINC000801538052 645410870 /nfs/dbraw/zinc/41/08/70/645410870.db2.gz YCARFQPXTWKJFZ-OAHLLOKOSA-N -1 3 301.342 2.178 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1NC(=O)CC12CCCCCC2 ZINC000912271316 646001367 /nfs/dbraw/zinc/00/13/67/646001367.db2.gz UHIQEIZOJOYKCY-UHFFFAOYSA-N -1 3 304.346 2.068 20 10 DECDHM CCOC(=O)[C@H](F)C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000816635862 647160865 /nfs/dbraw/zinc/16/08/65/647160865.db2.gz XPTVOWZERCSHGF-CYBMUJFWSA-N -1 3 301.745 2.379 20 10 DECDHM CC1(C)[C@@H](CS(=O)(=O)NCc2c([O-])cccc2F)C1(F)F ZINC000921450736 648319458 /nfs/dbraw/zinc/31/94/58/648319458.db2.gz DPSYOGUCGYSJFL-LLVKDONJSA-N -1 3 323.336 2.242 20 10 DECDHM CCN(CCS(C)(=O)=O)Cc1cc(Cl)c(C)cc1[O-] ZINC000824901442 648669159 /nfs/dbraw/zinc/66/91/59/648669159.db2.gz KPXZCZCFDOHGLB-UHFFFAOYSA-N -1 3 305.827 2.221 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)N1CCO ZINC000824926147 648673258 /nfs/dbraw/zinc/67/32/58/648673258.db2.gz KRKRLOSOAVXHSO-PHIMTYICSA-N -1 3 316.804 2.072 20 10 DECDHM CN(C)C(=O)N(C)[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000827545224 649049404 /nfs/dbraw/zinc/04/94/04/649049404.db2.gz XJAGGODUPJCVRN-LBPRGKRZSA-N -1 3 311.813 2.233 20 10 DECDHM CN(C)c1ccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000847296864 651387220 /nfs/dbraw/zinc/38/72/20/651387220.db2.gz SFIPMFIGXBIZRM-UHFFFAOYSA-N -1 3 312.373 2.056 20 10 DECDHM O=C(N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000848345976 651453448 /nfs/dbraw/zinc/45/34/48/651453448.db2.gz AODPFBURTFAYBI-GZMMTYOYSA-N -1 3 319.279 2.328 20 10 DECDHM CON(C)C(=O)[C@H](C)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000858320547 652305791 /nfs/dbraw/zinc/30/57/91/652305791.db2.gz XJSZEHXMHXJOKE-ZETCQYMHSA-N -1 3 307.177 2.197 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCc3nccnc3C2)c1[O-] ZINC000852699760 652441143 /nfs/dbraw/zinc/44/11/43/652441143.db2.gz ZPJFIQQVIFWOEP-UHFFFAOYSA-N -1 3 301.321 2.082 20 10 DECDHM Cn1ncc2c1CC(C)(C)CN(C(=O)c1cccc(O)c1[O-])C2 ZINC000852984099 652487480 /nfs/dbraw/zinc/48/74/80/652487480.db2.gz ROOGIJMZOJYPPC-UHFFFAOYSA-N -1 3 315.373 2.056 20 10 DECDHM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc2c(c1)CCO2 ZINC000041231867 683889097 /nfs/dbraw/zinc/88/90/97/683889097.db2.gz HWLNHUUQQARUSG-UHFFFAOYSA-N -1 3 319.338 2.151 20 10 DECDHM C[C@@H]1CCn2ncc(C(=O)NCc3c([O-])cccc3F)c2C1 ZINC000928705858 693830583 /nfs/dbraw/zinc/83/05/83/693830583.db2.gz LYSJTGXGPSBQKB-SNVBAGLBSA-N -1 3 303.337 2.240 20 10 DECDHM O=C(C[C@H]1CSCCS1)NCc1c([O-])cccc1F ZINC000928704818 693830710 /nfs/dbraw/zinc/83/07/10/693830710.db2.gz DPVGGVQBQXRCJO-VIFPVBQESA-N -1 3 301.408 2.386 20 10 DECDHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709424 693831265 /nfs/dbraw/zinc/83/12/65/693831265.db2.gz FCQKZTNXVZPVIB-PSLIRLAXSA-N -1 3 303.337 2.237 20 10 DECDHM O=C(NC1CC1)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000188119735 684350088 /nfs/dbraw/zinc/35/00/88/684350088.db2.gz GGHMHMOOCMTKTG-UHFFFAOYSA-N -1 3 312.325 2.242 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000188132707 684350209 /nfs/dbraw/zinc/35/02/09/684350209.db2.gz OIDZBJBFOOZDSQ-UHFFFAOYSA-N -1 3 300.270 2.209 20 10 DECDHM COCCCN(Cc1ccncc1)C(=O)c1cccc(O)c1[O-] ZINC000188434472 684356373 /nfs/dbraw/zinc/35/63/73/684356373.db2.gz HCQDLWCRGNJXMG-UHFFFAOYSA-N -1 3 316.357 2.172 20 10 DECDHM [O-]c1cccc(Br)c1CN1C[C@H](F)C[C@H]1CO ZINC000862337554 686278954 /nfs/dbraw/zinc/27/89/54/686278954.db2.gz XAKLPRFAMADKPE-BDAKNGLRSA-N -1 3 304.159 2.059 20 10 DECDHM [O-]c1cccc(Br)c1CN(CCO)CC(F)F ZINC000862350630 686280064 /nfs/dbraw/zinc/28/00/64/686280064.db2.gz CTULHISAFUENIU-UHFFFAOYSA-N -1 3 310.138 2.214 20 10 DECDHM Cc1ccc(C(=O)Nc2c3c(nn2C)CCCC3)c([O-])c1O ZINC000870879548 688676227 /nfs/dbraw/zinc/67/62/27/688676227.db2.gz CIDPOYQIKKIBRZ-UHFFFAOYSA-N -1 3 301.346 2.271 20 10 DECDHM C[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1c([O-])cccc1F ZINC000886586827 692119281 /nfs/dbraw/zinc/11/92/81/692119281.db2.gz XUXNHABQVOPZLR-SNVBAGLBSA-N -1 3 318.352 2.180 20 10 DECDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@H]1CO ZINC001144292470 790844602 /nfs/dbraw/zinc/84/46/02/790844602.db2.gz CZZLQHBCXVSIQQ-VIFPVBQESA-N -1 3 304.159 2.251 20 10 DECDHM Cc1cc2c(ncnc2NC(=O)c2cc(O)c([O-])c(O)c2)s1 ZINC001148581122 791776304 /nfs/dbraw/zinc/77/63/04/791776304.db2.gz LMBQQOQJTZIKSE-UHFFFAOYSA-N -1 3 317.326 2.369 20 10 DECDHM Cc1nc2sccc2c(NC(=O)c2cc(O)c([O-])c(O)c2)n1 ZINC001148580591 791776660 /nfs/dbraw/zinc/77/66/60/791776660.db2.gz IODNCLOMIYEJRE-UHFFFAOYSA-N -1 3 317.326 2.369 20 10 DECDHM O=C(Nc1cnc2ccc(O)cc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148580157 791776858 /nfs/dbraw/zinc/77/68/58/791776858.db2.gz FVMZYVLHUFHFKN-UHFFFAOYSA-N -1 3 312.281 2.310 20 10 DECDHM C[C@H](c1ccccc1F)[C@@H](O)C(=O)NCc1c([O-])cccc1F ZINC001178413062 794922189 /nfs/dbraw/zinc/92/21/89/794922189.db2.gz MHJVDMWRTIAHIY-QLJPJBMISA-N -1 3 321.323 2.451 20 10 DECDHM CN(CCc1nc2ccccc2[nH]1)C(=O)c1cccc(O)c1[O-] ZINC001183790470 795936494 /nfs/dbraw/zinc/93/64/94/795936494.db2.gz OQKSDIVJSREFKU-UHFFFAOYSA-N -1 3 311.341 2.289 20 10 DECDHM COC(=O)CC1CN(Cc2c([O-])cccc2Br)C1 ZINC001140101066 796476818 /nfs/dbraw/zinc/47/68/18/796476818.db2.gz IOBSABKAEFENJA-UHFFFAOYSA-N -1 3 314.179 2.150 20 10 DECDHM C[C@@H]1CN(C2CN(Cc3c([O-])cccc3Cl)C2)C[C@H](C)O1 ZINC001140342603 796510239 /nfs/dbraw/zinc/51/02/39/796510239.db2.gz QOAUWLNZXBUUGD-TXEJJXNPSA-N -1 3 310.825 2.339 20 10 DECDHM C[S@@](=O)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001156170013 797938336 /nfs/dbraw/zinc/93/83/36/797938336.db2.gz BQWPVCCJLYILAC-OAQYLSRUSA-N -1 3 307.346 2.199 20 10 DECDHM Cc1cc(C)c(CNS(=O)(=O)c2ccc([O-])cc2)c(O)c1 ZINC001195829819 797972855 /nfs/dbraw/zinc/97/28/55/797972855.db2.gz VTYPZFAWBKUTDF-UHFFFAOYSA-N -1 3 307.371 2.193 20 10 DECDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCNCC(F)(F)C1 ZINC001211347979 801550747 /nfs/dbraw/zinc/55/07/47/801550747.db2.gz VCMUVUNNSZMIEG-UHFFFAOYSA-N -1 3 310.266 2.452 20 10 DECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC001231452506 801668644 /nfs/dbraw/zinc/66/86/44/801668644.db2.gz PZIKPYBQNYFNOJ-OAHLLOKOSA-N -1 3 314.341 2.139 20 10 DECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC001231452506 801668651 /nfs/dbraw/zinc/66/86/51/801668651.db2.gz PZIKPYBQNYFNOJ-OAHLLOKOSA-N -1 3 314.341 2.139 20 10 DECDHM CCOC(=O)CN(CC)Cc1cc(Cl)c(OC)cc1[O-] ZINC001232267911 801832826 /nfs/dbraw/zinc/83/28/26/801832826.db2.gz JSWXWYJDGIFADL-UHFFFAOYSA-N -1 3 301.770 2.439 20 10 DECDHM Cc1cnc(O[C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC001233079805 802022659 /nfs/dbraw/zinc/02/26/59/802022659.db2.gz LBGQMRNDHVRUQZ-LBPRGKRZSA-N -1 3 321.327 2.422 20 10 DECDHM O=C1OC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3[O-])CCN12 ZINC001233454874 802120639 /nfs/dbraw/zinc/12/06/39/802120639.db2.gz NEBFIECHTGFXPN-LLVKDONJSA-N -1 3 316.279 2.047 20 10 DECDHM O=C1CN(Cc2ccc(C(F)(F)F)cc2[O-])C[C@H]2CCCN12 ZINC001233455031 802120679 /nfs/dbraw/zinc/12/06/79/802120679.db2.gz SSZFHPOBWSOICI-GFCCVEGCSA-N -1 3 314.307 2.218 20 10 DECDHM CC(=O)N(C)C1CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233454068 802121258 /nfs/dbraw/zinc/12/12/58/802121258.db2.gz FTWKGUVFWRANFE-UHFFFAOYSA-N -1 3 302.296 2.074 20 10 DECDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3C[C@@H](O)C3)cccc21 ZINC001218413194 802178954 /nfs/dbraw/zinc/17/89/54/802178954.db2.gz UYDVNAAGLYIPTK-AOOOYVTPSA-N -1 3 310.305 2.070 20 10 DECDHM CN1CC[C@@H](Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226380146 803101627 /nfs/dbraw/zinc/10/16/27/803101627.db2.gz OCCSMRUBGPBKDN-LLVKDONJSA-N -1 3 323.348 2.251 20 10 DECDHM C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594385227 999462253 /nfs/dbraw/zinc/46/22/53/999462253.db2.gz YPAONVRHQGILSB-CHWSQXEVSA-N -1 3 306.406 2.473 20 10 DECDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)Cc1ccccc1O ZINC001602969466 1069812473 /nfs/dbraw/zinc/81/24/73/1069812473.db2.gz QORLVQHJECXGDV-UHFFFAOYSA-N -1 3 323.356 2.411 20 10 DECDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)Cc1ccccc1O ZINC001602969466 1069812495 /nfs/dbraw/zinc/81/24/95/1069812495.db2.gz QORLVQHJECXGDV-UHFFFAOYSA-N -1 3 323.356 2.411 20 10 DECDHM CC[C@H]([NH2+]CC1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056739 1070190883 /nfs/dbraw/zinc/19/08/83/1070190883.db2.gz VOVUGBINFKOADZ-AWEZNQCLSA-N -1 3 317.393 2.040 20 10 DECDHM CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605143892 1070624351 /nfs/dbraw/zinc/62/43/51/1070624351.db2.gz ILBMUEKGBAAFAH-LERXQTSPSA-N -1 3 317.393 2.181 20 10 DECDHM CS(=O)(=O)CC1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001462271206 1058791685 /nfs/dbraw/zinc/79/16/85/1058791685.db2.gz LKWZSLVVMDLIRI-UHFFFAOYSA-N -1 3 317.838 2.302 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cccnc1-n1cccn1 ZINC001471974567 1060354420 /nfs/dbraw/zinc/35/44/20/1060354420.db2.gz FSXSJPKTHJBCHI-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM Cn1cc(CNCc2c([O-])cccc2F)c(C2CCOCC2)n1 ZINC001474716421 1060922551 /nfs/dbraw/zinc/92/25/51/1060922551.db2.gz MIHXQJWLYWKCQY-UHFFFAOYSA-N -1 3 319.380 2.449 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CCS[C@@H]2COCC[C@H]21 ZINC001621135840 1078170157 /nfs/dbraw/zinc/17/01/57/1078170157.db2.gz YWKWOKOTKCQMNK-TZMCWYRMSA-N -1 3 301.358 2.377 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN[C@]1(CO)CCOc2ccccc21 ZINC001621278544 1078172320 /nfs/dbraw/zinc/17/23/20/1078172320.db2.gz VBQSEERAZAFZDA-KRWDZBQOSA-N -1 3 321.323 2.430 20 10 DECDHM CC(=O)Nc1ccc(CC(=O)NCc2c([O-])cccc2F)cc1 ZINC001635361210 1078448932 /nfs/dbraw/zinc/44/89/32/1078448932.db2.gz ZVWLHXGFNMEMCW-UHFFFAOYSA-N -1 3 316.332 2.349 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1[nH]ncc1C(F)(F)F ZINC001638863148 1078584367 /nfs/dbraw/zinc/58/43/67/1078584367.db2.gz JJUYDMSJDSHRAF-UHFFFAOYSA-N -1 3 303.215 2.203 20 10 DECDHM CO[C@H](Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001645047891 1078873756 /nfs/dbraw/zinc/87/37/56/1078873756.db2.gz BVYKYYIUYLTVET-MRXNPFEDSA-N -1 3 303.333 2.405 20 10 DECDHM CCc1ncc(Cl)c(C(=O)NCc2c([O-])cccc2F)n1 ZINC001645050549 1078873915 /nfs/dbraw/zinc/87/39/15/1078873915.db2.gz MWDGYQHCZCWXBL-UHFFFAOYSA-N -1 3 309.728 2.467 20 10 DECDHM Cc1nc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])[nH]c1C ZINC001645370482 1078897278 /nfs/dbraw/zinc/89/72/78/1078897278.db2.gz IPQRQSSEUNIMMQ-LBPRGKRZSA-N -1 3 301.346 2.415 20 10 DECDHM COc1ccccc1NCC(=O)NCc1c([O-])cccc1F ZINC001558454156 1075094787 /nfs/dbraw/zinc/09/47/87/1075094787.db2.gz AMCSSLROZITCEB-UHFFFAOYSA-N -1 3 304.321 2.268 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1COc2ccccc2C1 ZINC001558455770 1075094838 /nfs/dbraw/zinc/09/48/38/1075094838.db2.gz QRQHTJGNAAFNQZ-LBPRGKRZSA-N -1 3 301.317 2.399 20 10 DECDHM CC(=O)c1cc(F)cc(CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c1[O-] ZINC001559944526 1075131424 /nfs/dbraw/zinc/13/14/24/1075131424.db2.gz QRNVGMDMZDCPBW-HBNTYKKESA-N -1 3 322.380 2.173 20 10 DECDHM CC(C)Nc1ccccc1NCc1ncc(-c2nnn[n-]2)cn1 ZINC001589729727 1076508455 /nfs/dbraw/zinc/50/84/55/1076508455.db2.gz UUYLIERHNLBCAX-UHFFFAOYSA-N -1 3 310.365 2.089 20 10 DECDHM CC(C)Nc1ccccc1NCc1ncc(-c2nn[n-]n2)cn1 ZINC001589729727 1076508460 /nfs/dbraw/zinc/50/84/60/1076508460.db2.gz UUYLIERHNLBCAX-UHFFFAOYSA-N -1 3 310.365 2.089 20 10 DECDHM C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963761 1076537935 /nfs/dbraw/zinc/53/79/35/1076537935.db2.gz YDPZHFILSQUEQW-VXGBXAGGSA-N -1 3 317.393 2.182 20 10 DECDHM C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590203870 1076583184 /nfs/dbraw/zinc/58/31/84/1076583184.db2.gz XEEXSDBEPCTWQQ-MXWKQRLJSA-N -1 3 317.393 2.179 20 10 DECDHM CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])OC ZINC001590401744 1076621216 /nfs/dbraw/zinc/62/12/16/1076621216.db2.gz XAAGWLUGFVXTKC-MJVIPROJSA-N -1 3 319.409 2.284 20 10 DECDHM CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@H](O)C(C)C ZINC001590462103 1076631030 /nfs/dbraw/zinc/63/10/30/1076631030.db2.gz NFCHKRLKXZQAFB-DDTOSNHZSA-N -1 3 319.409 2.018 20 10 DECDHM CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@@H](O)C(C)C ZINC001590462105 1076631652 /nfs/dbraw/zinc/63/16/52/1076631652.db2.gz NFCHKRLKXZQAFB-SWHYSGLUSA-N -1 3 319.409 2.018 20 10 DECDHM CC[C@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462068 1076631732 /nfs/dbraw/zinc/63/17/32/1076631732.db2.gz ALNILPOQXTVSFD-BBRMVZONSA-N -1 3 317.393 2.040 20 10 DECDHM CC[C@@H]([NH2+]CC(C)(C)COC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466600 1076633420 /nfs/dbraw/zinc/63/34/20/1076633420.db2.gz ZHRUIJUOXPMNQC-CYBMUJFWSA-N -1 3 319.409 2.286 20 10 DECDHM CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCO1 ZINC001590504775 1076642646 /nfs/dbraw/zinc/64/26/46/1076642646.db2.gz KZNLOWHIUDYQSG-SDDRHHMPSA-N -1 3 317.393 2.181 20 10 DECDHM Cc1cccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592230709 1076879727 /nfs/dbraw/zinc/87/97/27/1076879727.db2.gz FUIFDWQSVZAFPU-LLVKDONJSA-N -1 3 310.361 2.127 20 10 DECDHM [O-]c1cc(F)c(F)cc1CNc1cccc(-c2nn[nH]n2)c1 ZINC001593538886 1077018865 /nfs/dbraw/zinc/01/88/65/1077018865.db2.gz ADJBERBUAUIEFU-UHFFFAOYSA-N -1 3 303.272 2.463 20 10 DECDHM CN(C)c1ccc(CNc2cc(-c3nnn[n-]3)ccn2)cc1F ZINC001609270626 1077821403 /nfs/dbraw/zinc/82/14/03/1077821403.db2.gz LXLLDIDGYSEVHG-UHFFFAOYSA-N -1 3 313.340 2.079 20 10 DECDHM CN(C)c1ccc(CNc2cc(-c3nn[n-]n3)ccn2)cc1F ZINC001609270626 1077821410 /nfs/dbraw/zinc/82/14/10/1077821410.db2.gz LXLLDIDGYSEVHG-UHFFFAOYSA-N -1 3 313.340 2.079 20 10 DECDHM C[C@@H]([NH2+]CCOc1cccnc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778580 1077921647 /nfs/dbraw/zinc/92/16/47/1077921647.db2.gz ISGSXHXQWQJEDS-LLVKDONJSA-N -1 3 302.330 2.215 20 10 DECDHM CCCN(Cc1cc(F)c(F)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001664152304 1080866589 /nfs/dbraw/zinc/86/65/89/1080866589.db2.gz UXQWNUSKVLDGLY-LLVKDONJSA-N -1 3 319.373 2.070 20 10 DECDHM C[C@@]1(CO)CN(Cc2cc(Cl)c(Cl)cc2[O-])CC[C@@H]1O ZINC001236794801 1138430461 /nfs/dbraw/zinc/43/04/61/1138430461.db2.gz UZOAJDULDARYIQ-KBPBESRZSA-N -1 3 320.216 2.264 20 10 DECDHM CC(=O)CN(C)Cc1cccc(I)c1[O-] ZINC001237776515 1138787006 /nfs/dbraw/zinc/78/70/06/1138787006.db2.gz KHSGSCIVGPXDMK-UHFFFAOYSA-N -1 3 319.142 2.018 20 10 DECDHM [O-]c1c(I)cccc1CN1CC=CC1 ZINC001237778477 1138787036 /nfs/dbraw/zinc/78/70/36/1138787036.db2.gz WKIWOGJTXVYSRD-UHFFFAOYSA-N -1 3 301.127 2.369 20 10 DECDHM CC(=O)N[C@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237936065 1138811536 /nfs/dbraw/zinc/81/15/36/1138811536.db2.gz IUFILABZQQOIAX-NSHDSACASA-N -1 3 300.761 2.285 20 10 DECDHM O=C(NC1CCC(O)(C(F)(F)F)CC1)c1cccc(O)c1[O-] ZINC001322340953 1141531236 /nfs/dbraw/zinc/53/12/36/1141531236.db2.gz YFEKKBWIIARVHD-UHFFFAOYSA-N -1 3 319.279 2.064 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001342739604 1143833715 /nfs/dbraw/zinc/83/37/15/1143833715.db2.gz MXABOPMUKFYHSL-QWHCGFSZSA-N -1 3 305.374 2.377 20 10 DECDHM COc1cc(C(=O)NCc2cc(C)ccc2O)cc(OC)c1[O-] ZINC001301047008 1147280402 /nfs/dbraw/zinc/28/04/02/1147280402.db2.gz PLBLAYXPFNFOTJ-UHFFFAOYSA-N -1 3 317.341 2.353 20 10 DECDHM CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1c([O-])cccc1F ZINC001303877366 1147336954 /nfs/dbraw/zinc/33/69/54/1147336954.db2.gz BVOXMVMHITUWHK-UHFFFAOYSA-N -1 3 319.292 2.411 20 10 DECDHM CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(F)ccc1[O-] ZINC000374877049 529910997 /nfs/dbraw/zinc/91/09/97/529910997.db2.gz PDBFUUXVXUUVGD-INIZCTEOSA-N -1 3 314.360 2.204 20 10 DECDHM Cc1ccc(C(=O)NC[C@H](O)CCc2ccccc2)c([O-])c1O ZINC000273326748 130108389 /nfs/dbraw/zinc/10/83/89/130108389.db2.gz XVFQFVLMGVHOPG-CQSZACIVSA-N -1 3 315.369 2.130 20 10 DECDHM C[C@@H](NC[C@](C)(O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273546775 130135704 /nfs/dbraw/zinc/13/57/04/130135704.db2.gz ZOAPDUGXTKRXKN-HQJQHLMTSA-N -1 3 308.256 2.264 20 10 DECDHM Cc1nnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1C ZINC000111232906 401702304 /nfs/dbraw/zinc/70/23/04/401702304.db2.gz RBOJDQKRYWWDAW-OAHLLOKOSA-N -1 3 316.405 2.010 20 10 DECDHM COCCN(CCOC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000048895551 402009233 /nfs/dbraw/zinc/00/92/33/402009233.db2.gz DLRSPDKIWZLTOG-UHFFFAOYSA-N -1 3 315.797 2.343 20 10 DECDHM Cc1noc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000109761478 402275731 /nfs/dbraw/zinc/27/57/31/402275731.db2.gz LOQZYQTVGTUHSP-AWEZNQCLSA-N -1 3 303.362 2.265 20 10 DECDHM O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(O)c1[O-] ZINC000193147730 402767139 /nfs/dbraw/zinc/76/71/39/402767139.db2.gz WNCJRZNTMRYGLU-UGFHNGPFSA-N -1 3 303.358 2.175 20 10 DECDHM COc1c([O-])c(CN2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278151293 402860153 /nfs/dbraw/zinc/86/01/53/402860153.db2.gz CHTAFJGPRQKPJI-UHFFFAOYSA-N -1 3 322.361 2.454 20 10 DECDHM CCN(Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278328583 402862874 /nfs/dbraw/zinc/86/28/74/402862874.db2.gz ZCRIAAJUCROKEN-UHFFFAOYSA-N -1 3 320.349 2.065 20 10 DECDHM O=C(Cn1cc(NCc2c([O-])cccc2Cl)cn1)NC1CC1 ZINC000272615131 402958794 /nfs/dbraw/zinc/95/87/94/402958794.db2.gz HVSWVZHJTJAGLI-UHFFFAOYSA-N -1 3 320.780 2.133 20 10 DECDHM CS(=O)(=O)[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000274140829 403030400 /nfs/dbraw/zinc/03/04/00/403030400.db2.gz QTZIPMLHWPKHJQ-SNVBAGLBSA-N -1 3 303.811 2.055 20 10 DECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1[O-] ZINC000280606789 403018152 /nfs/dbraw/zinc/01/81/52/403018152.db2.gz VQIJFZYPXUFCJM-PIGZYNQJSA-N -1 3 323.364 2.114 20 10 DECDHM CC(=O)c1cc(F)cc(CN(CCO)Cc2cccnc2)c1[O-] ZINC000268698225 403107720 /nfs/dbraw/zinc/10/77/20/403107720.db2.gz QRNQLDJZSUTSEM-UHFFFAOYSA-N -1 3 318.348 2.123 20 10 DECDHM COC(=O)[C@@H](NCc1cc(-c2ccccc2)ccc1[O-])[C@H](C)O ZINC000276438453 403175162 /nfs/dbraw/zinc/17/51/62/403175162.db2.gz IKHQAAMABVQIHZ-SJCJKPOMSA-N -1 3 315.369 2.071 20 10 DECDHM Cc1cc(C)cc([C@@H](O)CNC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000283048505 403166320 /nfs/dbraw/zinc/16/63/20/403166320.db2.gz IVDQDRZMAVFLOY-HNNXBMFYSA-N -1 3 315.369 2.486 20 10 DECDHM Cc1noc([C@H]2CCCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000286371112 403511295 /nfs/dbraw/zinc/51/12/95/403511295.db2.gz JYGWDNMKLGIOJQ-LLVKDONJSA-N -1 3 303.318 2.157 20 10 DECDHM CCOC(=O)[C@@H](F)C1CN(Cc2c([O-])cccc2Cl)C1 ZINC000294023045 403626151 /nfs/dbraw/zinc/62/61/51/403626151.db2.gz VAJRDFOPIBODJS-ZDUSSCGKSA-N -1 3 301.745 2.379 20 10 DECDHM Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000367983561 293363585 /nfs/dbraw/zinc/36/35/85/293363585.db2.gz PUQDQHJTHSHDDC-LBPRGKRZSA-N -1 3 317.345 2.465 20 10 DECDHM Cn1ccnc1[C@@H]1N(C(=O)c2cccc(O)c2[O-])CC1(C)C ZINC000295824371 303000915 /nfs/dbraw/zinc/00/09/15/303000915.db2.gz HYNOBYHZMUHGCX-ZDUSSCGKSA-N -1 3 301.346 2.055 20 10 DECDHM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c([O-])ccc(Cl)c1F ZINC000364586605 303321053 /nfs/dbraw/zinc/32/10/53/303321053.db2.gz ZJRIHFOEHJTRCV-FZNYLWTLSA-N -1 3 312.772 2.271 20 10 DECDHM C[C@H](Cc1ccccn1)NC(=O)NCc1c([O-])cccc1F ZINC001357588410 1152315755 /nfs/dbraw/zinc/31/57/55/1152315755.db2.gz QXKWHQXUFVSRQI-LLVKDONJSA-N -1 3 303.337 2.357 20 10 DECDHM COc1cc(Cl)cc(CN(C)[C@H](C)C[S@](C)=O)c1[O-] ZINC000187826892 533953162 /nfs/dbraw/zinc/95/31/62/533953162.db2.gz SOFMUMHKMZHYBG-HOGDKLEQSA-N -1 3 305.827 2.253 20 10 DECDHM NC(=O)C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000368135219 534360324 /nfs/dbraw/zinc/36/03/24/534360324.db2.gz OZKAFFDDQKYTDS-MRVPVSSYSA-N -1 3 303.189 2.396 20 10 DECDHM CN(C)C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000128152549 521852494 /nfs/dbraw/zinc/85/24/94/521852494.db2.gz ZHPYVJFWCCFOJN-GFCCVEGCSA-N -1 3 319.232 2.461 20 10 DECDHM Cc1c(CNCc2cc(Br)ccc2[O-])cnn1C ZINC000156547333 525725317 /nfs/dbraw/zinc/72/53/17/525725317.db2.gz ACIMSULKLNXTEH-UHFFFAOYSA-N -1 3 310.195 2.486 20 10 DECDHM Cc1ccc(C(=O)N2CCN(c3cccs3)CC2)c([O-])c1O ZINC000182597629 526113973 /nfs/dbraw/zinc/11/39/73/526113973.db2.gz SCSNVHLHFIABLK-UHFFFAOYSA-N -1 3 318.398 2.430 20 10 DECDHM CC[N@H+](CC(=O)[O-])Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000737076282 600027820 /nfs/dbraw/zinc/02/78/20/600027820.db2.gz XOXBUEUEVDNYPI-UHFFFAOYSA-N -1 3 317.341 2.239 20 10 DECDHM CC[N@@H+](CC(=O)[O-])Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000737076282 600027822 /nfs/dbraw/zinc/02/78/22/600027822.db2.gz XOXBUEUEVDNYPI-UHFFFAOYSA-N -1 3 317.341 2.239 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000921993015 635793744 /nfs/dbraw/zinc/79/37/44/635793744.db2.gz UZVBPDBIGJTWRS-XHDPSFHLSA-N -1 3 308.353 2.288 20 10 DECDHM CC(C)C(=O)NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893943783 636072049 /nfs/dbraw/zinc/07/20/49/636072049.db2.gz DSXKLHHJUSIBIP-UHFFFAOYSA-N -1 3 312.360 2.407 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000838320413 637530373 /nfs/dbraw/zinc/53/03/73/637530373.db2.gz BLEUPQHANSAOEQ-UONOGXRCSA-N -1 3 305.374 2.111 20 10 DECDHM Cn1nc2c(c1CNCc1c([O-])cccc1F)CSCC2 ZINC000896644638 638618092 /nfs/dbraw/zinc/61/80/92/638618092.db2.gz YJPVLTLRNMIQTK-UHFFFAOYSA-N -1 3 307.394 2.344 20 10 DECDHM COC(=O)[C@H]1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928704887 639483696 /nfs/dbraw/zinc/48/36/96/639483696.db2.gz FYZZSGNDMVZFGE-QWRGUYRKSA-N -1 3 309.337 2.127 20 10 DECDHM Cc1nccnc1[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000923991318 641443072 /nfs/dbraw/zinc/44/30/72/641443072.db2.gz REWBFTGRUMWEFO-JTQLQIEISA-N -1 3 304.325 2.190 20 10 DECDHM COc1c([O-])c(CNc2cccc(CO)c2)ccc1[N+](=O)[O-] ZINC000775098037 642006704 /nfs/dbraw/zinc/00/67/04/642006704.db2.gz PKAKOPWTZXTHLY-UHFFFAOYSA-N -1 3 304.302 2.413 20 10 DECDHM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790911497 643909029 /nfs/dbraw/zinc/90/90/29/643909029.db2.gz GWSTXYXAFHBQQX-LLVKDONJSA-N -1 3 321.373 2.149 20 10 DECDHM CC[C@@H](NCc1nnn(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237694 646342928 /nfs/dbraw/zinc/34/29/28/646342928.db2.gz JVEPOQKJMHIIRU-SNVBAGLBSA-N -1 3 315.299 2.175 20 10 DECDHM CC(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000921327523 648293668 /nfs/dbraw/zinc/29/36/68/648293668.db2.gz GWMDGLVHWNUZTH-NHYWBVRUSA-N -1 3 310.369 2.392 20 10 DECDHM CNC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000181940195 648793841 /nfs/dbraw/zinc/79/38/41/648793841.db2.gz VSKIMGAODBCRNQ-UHFFFAOYSA-N -1 3 314.341 2.327 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2CCc3n[nH]nc3C2)c1 ZINC000827884461 649099118 /nfs/dbraw/zinc/09/91/18/649099118.db2.gz CDRYOSKJODKQND-UHFFFAOYSA-N -1 3 323.194 2.140 20 10 DECDHM CN(C)c1ccc(CN(C(=O)c2cc(=O)[n-]cn2)C2CC2)cc1 ZINC000858341921 652312630 /nfs/dbraw/zinc/31/26/30/652312630.db2.gz NQKSVHQYHNQIGZ-UHFFFAOYSA-N -1 3 312.373 2.053 20 10 DECDHM C[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858602541 685567025 /nfs/dbraw/zinc/56/70/25/685567025.db2.gz BKCAURVNRFAGSI-YGRLFVJLSA-N -1 3 319.361 2.104 20 10 DECDHM O=C(NCCCSc1nccs1)c1c([O-])cccc1O ZINC000125794854 684148411 /nfs/dbraw/zinc/14/84/11/684148411.db2.gz XHQYBGIVDVAKFD-UHFFFAOYSA-N -1 3 310.400 2.467 20 10 DECDHM Cc1ccc(-c2nc(NC(=O)c3cccc(O)c3[O-])n[nH]2)cc1 ZINC000192961776 684461665 /nfs/dbraw/zinc/46/16/65/684461665.db2.gz JSKNLHGZWUZTMW-UHFFFAOYSA-N -1 3 310.313 2.444 20 10 DECDHM COC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1Br ZINC000862216059 686256275 /nfs/dbraw/zinc/25/62/75/686256275.db2.gz RAOCWIVRFHCVJI-NSHDSACASA-N -1 3 314.179 2.292 20 10 DECDHM [O-]c1cccc(Br)c1CN1CCC2(C1)OCCO2 ZINC000862238731 686262791 /nfs/dbraw/zinc/26/27/91/686262791.db2.gz HMTPLQZEFDCLNE-UHFFFAOYSA-N -1 3 314.179 2.104 20 10 DECDHM COC(=O)[C@@H](C)N(C)Cc1c([O-])cccc1Br ZINC000862351591 686279997 /nfs/dbraw/zinc/27/99/97/686279997.db2.gz QUWDVMAVGHRZJG-MRVPVSSYSA-N -1 3 302.168 2.148 20 10 DECDHM COC(=O)CN(CCOC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000929977558 694063100 /nfs/dbraw/zinc/06/31/00/694063100.db2.gz WIZWTIQIAGNLIH-UHFFFAOYSA-N -1 3 313.781 2.200 20 10 DECDHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccccc2O)c(=O)[n-]1 ZINC000881440557 691098531 /nfs/dbraw/zinc/09/85/31/691098531.db2.gz GFTWJBGNJCISPC-JTQLQIEISA-N -1 3 315.373 2.315 20 10 DECDHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])OCCc2ccccc21 ZINC000882322382 691260135 /nfs/dbraw/zinc/26/01/35/691260135.db2.gz JQSRSSYBMSZYNB-SFHVURJKSA-N -1 3 313.353 2.316 20 10 DECDHM [O-]c1c(F)cc(F)cc1CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000894570191 692986653 /nfs/dbraw/zinc/98/66/53/692986653.db2.gz RQBDCSXMCCYJTH-HNNXBMFYSA-N -1 3 323.343 2.339 20 10 DECDHM COc1cnccc1[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC001148225487 791715518 /nfs/dbraw/zinc/71/55/18/791715518.db2.gz LPPIDSVILBKJNB-HNNXBMFYSA-N -1 3 314.341 2.383 20 10 DECDHM O=C(Nc1ccccc1-c1cc[nH]n1)c1cc(O)c([O-])c(O)c1 ZINC001148585895 791777691 /nfs/dbraw/zinc/77/76/91/791777691.db2.gz CWMCMQBPXLJZMY-UHFFFAOYSA-N -1 3 311.297 2.446 20 10 DECDHM C[C@H](Oc1ccc(C=O)cc1)C(=O)NCc1c([O-])cccc1F ZINC001178412617 794922167 /nfs/dbraw/zinc/92/21/67/794922167.db2.gz BOEIKFSIWAVWFZ-NSHDSACASA-N -1 3 317.316 2.428 20 10 DECDHM COC12CCC(C(=O)NCc3c([O-])cccc3F)(CC1)C(=O)C2 ZINC001124033870 796025205 /nfs/dbraw/zinc/02/52/05/796025205.db2.gz XNHPGEULOPGLBP-UHFFFAOYSA-N -1 3 321.348 2.066 20 10 DECDHM Cc1cc(N2CCN(Cc3c([O-])cccc3F)CC2)nc(C)n1 ZINC001137837426 796144133 /nfs/dbraw/zinc/14/41/33/796144133.db2.gz GKJHJUSXJSWIOQ-UHFFFAOYSA-N -1 3 316.380 2.260 20 10 DECDHM CCOC[C@@H]1Cn2nccc2CN(Cc2cccc(F)c2[O-])C1 ZINC001138127176 796166987 /nfs/dbraw/zinc/16/69/87/796166987.db2.gz RGNFYVZQSCTSFS-ZDUSSCGKSA-N -1 3 319.380 2.396 20 10 DECDHM Cn1cc2c(n1)CCN(Cc1cc(Br)ccc1[O-])C2 ZINC001203643515 796430111 /nfs/dbraw/zinc/43/01/11/796430111.db2.gz WUWPDEWLLMLBEY-UHFFFAOYSA-N -1 3 322.206 2.447 20 10 DECDHM COc1ccc2c(=O)cc(C(=O)NCc3ccccc3O)[n-]c2c1 ZINC001154119144 797467497 /nfs/dbraw/zinc/46/74/97/797467497.db2.gz GVQFBRNVYLXTRN-UHFFFAOYSA-N -1 3 324.336 2.172 20 10 DECDHM O=C(NCc1ncn2ccccc12)c1ccc(O)c([O-])c1Cl ZINC001193247134 797529568 /nfs/dbraw/zinc/52/95/68/797529568.db2.gz MFQIXEAYDFCQLJ-UHFFFAOYSA-N -1 3 317.732 2.329 20 10 DECDHM C[C@@H](NCc1ccc(Br)cc1[O-])c1ncn(C)n1 ZINC000691395267 799508369 /nfs/dbraw/zinc/50/83/69/799508369.db2.gz LQKXKDUUQJVXFP-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM CCOC(=O)[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000932642374 799871004 /nfs/dbraw/zinc/87/10/04/799871004.db2.gz CIHDTQMQAVSMMR-NSHDSACASA-N -1 3 309.337 2.119 20 10 DECDHM [O-]c1ccc(Cl)cc1CN1Cc2ccnn2CC[C@@H]1CO ZINC001203664693 800101838 /nfs/dbraw/zinc/10/18/38/800101838.db2.gz QEIWMZGRRFLQDB-CQSZACIVSA-N -1 3 307.781 2.009 20 10 DECDHM COC[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450002 801667573 /nfs/dbraw/zinc/66/75/73/801667573.db2.gz MGNOXTIVAGUNTM-PBHICJAKSA-N -1 3 305.374 2.339 20 10 DECDHM COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450002 801667579 /nfs/dbraw/zinc/66/75/79/801667579.db2.gz MGNOXTIVAGUNTM-PBHICJAKSA-N -1 3 305.374 2.339 20 10 DECDHM COc1ncnc2c1CCN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232268380 801833845 /nfs/dbraw/zinc/83/38/45/801833845.db2.gz OXMXGZSZINUNCD-UHFFFAOYSA-N -1 3 321.764 2.108 20 10 DECDHM C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273888 994622827 /nfs/dbraw/zinc/62/28/27/994622827.db2.gz ZQKBGKYSYQMQMR-LADRHHBVSA-N -1 3 313.419 2.288 20 10 DECDHM C[C@H]([NH2+]Cc1cccc(CO)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593304554 994749161 /nfs/dbraw/zinc/74/91/61/994749161.db2.gz OFQTXLJYPIUTRL-NSHDSACASA-N -1 3 301.342 2.434 20 10 DECDHM COc1cc(C)c(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c([O-])c1 ZINC001599391268 997041104 /nfs/dbraw/zinc/04/11/04/997041104.db2.gz OHHSUWCVJRHPDX-AWEZNQCLSA-N -1 3 305.374 2.396 20 10 DECDHM COc1ccc(C[NH2+]Cc2ccccc2OCC(=O)[O-])c([O-])c1 ZINC001599572939 998395116 /nfs/dbraw/zinc/39/51/16/998395116.db2.gz NDPVJJNIINQVPA-UHFFFAOYSA-N -1 3 317.341 2.154 20 10 DECDHM COc1ccc(CNCc2ccccc2OCC(=O)[O-])c(O)c1 ZINC001599572939 998395126 /nfs/dbraw/zinc/39/51/26/998395126.db2.gz NDPVJJNIINQVPA-UHFFFAOYSA-N -1 3 317.341 2.154 20 10 DECDHM CCCCOCCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604188208 1070270905 /nfs/dbraw/zinc/27/09/05/1070270905.db2.gz KYOALHRDIXLNDP-GFCCVEGCSA-N -1 3 319.409 2.430 20 10 DECDHM C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329545 1070328608 /nfs/dbraw/zinc/32/86/08/1070328608.db2.gz SKANRPRXBJVOIJ-SMDDNHRTSA-N -1 3 304.390 2.225 20 10 DECDHM C[C@@H]([NH2+]CCOc1ncccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339686 1070339089 /nfs/dbraw/zinc/33/90/89/1070339089.db2.gz BDEMPKXOXHTEAH-SNVBAGLBSA-N -1 3 320.320 2.354 20 10 DECDHM Cc1ncccc1CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001606098490 1071041425 /nfs/dbraw/zinc/04/14/25/1071041425.db2.gz YEHDJLUIDHJELI-LBPRGKRZSA-N -1 3 324.388 2.169 20 10 DECDHM COc1ccc(O)c([C@H](C)NCc2cccc(C(=O)[O-])n2)c1 ZINC001607277191 1071392249 /nfs/dbraw/zinc/39/22/49/1071392249.db2.gz YEBLPVVLKHFZHP-JTQLQIEISA-N -1 3 302.330 2.345 20 10 DECDHM COc1ccc(OC)c(CC(=O)NCc2c([O-])cccc2F)c1 ZINC001471975421 1060353015 /nfs/dbraw/zinc/35/30/15/1060353015.db2.gz ZLKOBQZVBGTTCP-UHFFFAOYSA-N -1 3 319.332 2.407 20 10 DECDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])cc(C(N)=O)c1 ZINC001628029355 1078287362 /nfs/dbraw/zinc/28/73/62/1078287362.db2.gz YQHXZGKFPAOHGZ-UHFFFAOYSA-N -1 3 300.314 2.066 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc3nc[nH]c(=O)c32)c([O-])c1O ZINC001634299002 1078425215 /nfs/dbraw/zinc/42/52/15/1078425215.db2.gz VUYBINRTPYBLSH-UHFFFAOYSA-N -1 3 311.297 2.307 20 10 DECDHM CCNC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])c(C)s1 ZINC001634415413 1078427401 /nfs/dbraw/zinc/42/74/01/1078427401.db2.gz RSWUGGUJYVAWDU-UHFFFAOYSA-N -1 3 320.370 2.470 20 10 DECDHM Cn1nc(C(=O)NCc2c([O-])cccc2F)cc1C(F)(F)F ZINC001635366595 1078448920 /nfs/dbraw/zinc/44/89/20/1078448920.db2.gz DFPOVXWPLMRJQI-UHFFFAOYSA-N -1 3 317.242 2.214 20 10 DECDHM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(O)c1[O-] ZINC001638896293 1078586888 /nfs/dbraw/zinc/58/68/88/1078586888.db2.gz NXDNRYUISYZSMX-UHFFFAOYSA-N -1 3 303.274 2.300 20 10 DECDHM CNC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC001542183063 1072452737 /nfs/dbraw/zinc/45/27/37/1072452737.db2.gz DWYUQKXTEPRZFA-UHFFFAOYSA-N -1 3 320.732 2.363 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cccc2[nH]c(=O)oc21 ZINC001558454238 1075094832 /nfs/dbraw/zinc/09/48/32/1075094832.db2.gz CDLICZXLORLEOQ-UHFFFAOYSA-N -1 3 302.261 2.308 20 10 DECDHM CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591474399 1076747765 /nfs/dbraw/zinc/74/77/65/1076747765.db2.gz ILBMUEKGBAAFAH-SWHYSGLUSA-N -1 3 317.393 2.181 20 10 DECDHM Cc1c(C(=O)N[C@@H](C)c2ccccc2O)cccc1-c1nnn[n-]1 ZINC001591809931 1076787260 /nfs/dbraw/zinc/78/72/60/1076787260.db2.gz JSGMMSXUFUOODA-NSHDSACASA-N -1 3 323.356 2.372 20 10 DECDHM Cc1c(C(=O)N[C@@H](C)c2ccccc2O)cccc1-c1nn[n-]n1 ZINC001591809931 1076787263 /nfs/dbraw/zinc/78/72/63/1076787263.db2.gz JSGMMSXUFUOODA-NSHDSACASA-N -1 3 323.356 2.372 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1scc2c1OCCO2 ZINC001596910977 1077084588 /nfs/dbraw/zinc/08/45/88/1077084588.db2.gz BQIRABRGUDIENE-UHFFFAOYSA-N -1 3 309.318 2.294 20 10 DECDHM Cc1cc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])nn1C ZINC001600187837 1077155041 /nfs/dbraw/zinc/15/50/41/1077155041.db2.gz INTAUMPDZGIDOA-NSHDSACASA-N -1 3 303.362 2.026 20 10 DECDHM C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609775727 1077920327 /nfs/dbraw/zinc/92/03/27/1077920327.db2.gz DAEJAJNWLRWHDO-GFCCVEGCSA-N -1 3 320.389 2.144 20 10 DECDHM O=S1(=O)CC[C@@H](N(Cc2ccc(Cl)cc2[O-])C2CC2)C1 ZINC001651877927 1079838918 /nfs/dbraw/zinc/83/89/18/1079838918.db2.gz PWPHGTUFSMPOJM-CYBMUJFWSA-N -1 3 315.822 2.197 20 10 DECDHM C[C@@]1(CO)CN(Cc2c([O-])ccc(Cl)c2Cl)CC[C@H]1O ZINC001237077304 1080441391 /nfs/dbraw/zinc/44/13/91/1080441391.db2.gz FJDRKJULCWHFGR-OCCSQVGLSA-N -1 3 320.216 2.264 20 10 DECDHM CC(=O)N(C)[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237940869 1080501302 /nfs/dbraw/zinc/50/13/02/1080501302.db2.gz OQVOSWAOUXWMSP-LLVKDONJSA-N -1 3 300.761 2.237 20 10 DECDHM CCOC(=O)N[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001663600984 1080785304 /nfs/dbraw/zinc/78/53/04/1080785304.db2.gz UWQQOXCOZBVGDY-LLVKDONJSA-N -1 3 314.332 2.381 20 10 DECDHM [O-]c1cccc(F)c1CN1CCN(CCc2ccccn2)CC1 ZINC001137837420 1086614459 /nfs/dbraw/zinc/61/44/59/1086614459.db2.gz GGEIWUSFECMRCY-UHFFFAOYSA-N -1 3 315.392 2.287 20 10 DECDHM COc1ccc(CN2CCC[C@@H](NC(C)=O)C2)c([O-])c1Cl ZINC001236806520 1138433165 /nfs/dbraw/zinc/43/31/65/1138433165.db2.gz AYDOXYVAXPPDNQ-GFCCVEGCSA-N -1 3 312.797 2.155 20 10 DECDHM COc1cc([O-])c(CN2CCc3ncncc3C2)c(Cl)c1 ZINC001236802107 1138433170 /nfs/dbraw/zinc/43/31/70/1138433170.db2.gz HBNLZQKZNXXGBW-UHFFFAOYSA-N -1 3 305.765 2.403 20 10 DECDHM COc1cc([O-])c(CN2CCOC[C@@H]2C)c(Br)c1 ZINC001237063508 1138493051 /nfs/dbraw/zinc/49/30/51/1138493051.db2.gz SDIQUGNLUDJXKV-VIFPVBQESA-N -1 3 316.195 2.384 20 10 DECDHM CN(Cc1cc(Cl)cc(F)c1[O-])C1CCS(=O)(=O)CC1 ZINC001237622719 1138720231 /nfs/dbraw/zinc/72/02/31/1138720231.db2.gz XWHKHSFLJZZVRO-UHFFFAOYSA-N -1 3 321.801 2.194 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](O)C3(CC3)C2)c1 ZINC001320468702 1140869202 /nfs/dbraw/zinc/86/92/02/1140869202.db2.gz GQNJPILGYLFQQZ-GFCCVEGCSA-N -1 3 312.207 2.420 20 10 DECDHM Cc1cc(CN2CCn3cnnc3C2)c([O-])cc1Br ZINC001250120504 1142084768 /nfs/dbraw/zinc/08/47/68/1142084768.db2.gz GMQKSDCPVUYZPG-UHFFFAOYSA-N -1 3 323.194 2.070 20 10 DECDHM Cc1cc(=O)[n-]c(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC001337789888 1142801774 /nfs/dbraw/zinc/80/17/74/1142801774.db2.gz NCFJUIKMPUIADQ-UHFFFAOYSA-N -1 3 318.352 2.078 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC(c3nnc[nH]3)CC2)c1[O-] ZINC000083444302 355466802 /nfs/dbraw/zinc/46/68/02/355466802.db2.gz MHPYQXPGJLDRKF-UHFFFAOYSA-N -1 3 318.352 2.232 20 10 DECDHM O=C1CCCN1[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294706452 224181727 /nfs/dbraw/zinc/18/17/27/224181727.db2.gz OMINXADSLJTKFB-LLVKDONJSA-N -1 3 312.772 2.381 20 10 DECDHM COc1cc(Cl)cc(CN2CCN(C(C)=O)C[C@H]2C)c1[O-] ZINC000273712684 130157136 /nfs/dbraw/zinc/15/71/36/130157136.db2.gz GKXVNPZVHJFYFG-SNVBAGLBSA-N -1 3 312.797 2.107 20 10 DECDHM CC(C)c1nnc(NC(=O)CN(C)Cc2ccccc2[O-])s1 ZINC000137278332 401981951 /nfs/dbraw/zinc/98/19/51/401981951.db2.gz DMJZEQZPIGSPAC-UHFFFAOYSA-N -1 3 320.418 2.438 20 10 DECDHM CCS(=O)(=O)CCN(C)Cc1c([O-])ccc2ccccc21 ZINC000152417042 402095275 /nfs/dbraw/zinc/09/52/75/402095275.db2.gz AGKXYQRJHCQWCI-UHFFFAOYSA-N -1 3 307.415 2.412 20 10 DECDHM Cc1ccc(C(=O)NCc2noc3c2CCCC3)c([O-])c1O ZINC000291712999 404490732 /nfs/dbraw/zinc/49/07/32/404490732.db2.gz HPTGVRYPPKZHBU-UHFFFAOYSA-N -1 3 302.330 2.203 20 10 DECDHM COc1cc(Cl)cc(CN(CCO)Cc2cccnc2)c1[O-] ZINC000184688715 402292105 /nfs/dbraw/zinc/29/21/05/402292105.db2.gz GHPJHLFOCYNUHH-UHFFFAOYSA-N -1 3 322.792 2.444 20 10 DECDHM CCCNC(=O)CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000184881522 402306326 /nfs/dbraw/zinc/30/63/26/402306326.db2.gz WMGRPQPIKIHPNU-SECBINFHSA-N -1 3 315.211 2.332 20 10 DECDHM COC(=O)[C@H](C)CN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177173197 402378556 /nfs/dbraw/zinc/37/85/56/402378556.db2.gz PDNWETCSPUDMJR-SECBINFHSA-N -1 3 313.781 2.489 20 10 DECDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1n1ccnc1 ZINC000193133470 402766831 /nfs/dbraw/zinc/76/68/31/402766831.db2.gz KTFGTUYHCNTHGR-DGCLKSJQSA-N -1 3 301.346 2.018 20 10 DECDHM COc1cc(Cl)cc(CN2CC[C@H](C)[S@](=O)CC2)c1[O-] ZINC000277348398 403207700 /nfs/dbraw/zinc/20/77/00/403207700.db2.gz DHRWIFMVHULCFU-WVDJIFEKSA-N -1 3 317.838 2.397 20 10 DECDHM Cc1ccc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c([O-])c1O ZINC000292296469 403347883 /nfs/dbraw/zinc/34/78/83/403347883.db2.gz ZISIHOVETOXMBA-LLVKDONJSA-N -1 3 321.764 2.343 20 10 DECDHM Cc1ccc(C(=O)N2CCOC[C@H](C3CCC3)C2)c([O-])c1O ZINC000293938549 403603867 /nfs/dbraw/zinc/60/38/67/403603867.db2.gz QZSHVQDLWRPHSQ-CYBMUJFWSA-N -1 3 305.374 2.295 20 10 DECDHM CC[C@@H](COCC(F)(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000295288385 403833208 /nfs/dbraw/zinc/83/32/08/403833208.db2.gz AIQCJSBXNHRBGR-QMMMGPOBSA-N -1 3 307.268 2.185 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000365562496 404691534 /nfs/dbraw/zinc/69/15/34/404691534.db2.gz YJJVVLVIRSAJLC-SJKOYZFVSA-N -1 3 323.364 2.114 20 10 DECDHM CC(=O)N1Cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2C1 ZINC000365778170 404719101 /nfs/dbraw/zinc/71/91/01/404719101.db2.gz GRPFPGUOQLVANT-UHFFFAOYSA-N -1 3 312.325 2.212 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@H](OCC3CC3)C2)c([O-])c1O ZINC000372367165 227088893 /nfs/dbraw/zinc/08/88/93/227088893.db2.gz OCDSLBRVLINVAR-ZDUSSCGKSA-N -1 3 305.374 2.437 20 10 DECDHM 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CO[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H]1F ZINC001203635965 796391373 /nfs/dbraw/zinc/39/13/73/796391373.db2.gz LFIPWYIAZTVFNU-JQWIXIFHSA-N -1 3 304.159 2.323 20 10 DECDHM O=C1CCCC2(CCN(Cc3c(F)ccc(F)c3[O-])CC2)N1 ZINC001139682431 796410111 /nfs/dbraw/zinc/41/01/11/796410111.db2.gz ZMRCNXZUSDNBDE-UHFFFAOYSA-N -1 3 310.344 2.305 20 10 DECDHM O=C1CCC[C@]2(CCCN(Cc3c(F)ccc(F)c3[O-])C2)N1 ZINC001139681754 796410175 /nfs/dbraw/zinc/41/01/75/796410175.db2.gz DPNKGDKASCNRGR-MRXNPFEDSA-N -1 3 310.344 2.305 20 10 DECDHM O=C1NCCC2(CCN(Cc3c(F)ccc(F)c3[O-])CC2)O1 ZINC001139686001 796410320 /nfs/dbraw/zinc/41/03/20/796410320.db2.gz JDTOEXPOYGQJAQ-UHFFFAOYSA-N -1 3 312.316 2.135 20 10 DECDHM CC1(C)CN(C2CN(Cc3ccc(Cl)cc3[O-])C2)CCO1 ZINC001140465947 796525568 /nfs/dbraw/zinc/52/55/68/796525568.db2.gz UZNXVDGRPUAAPD-UHFFFAOYSA-N -1 3 310.825 2.341 20 10 DECDHM [O-]c1cc(Cl)ccc1CN1Cc2ccnn2CC[C@@H]1CO ZINC001140464108 796525706 /nfs/dbraw/zinc/52/57/06/796525706.db2.gz BRWXNVGSXUWSJI-CQSZACIVSA-N -1 3 307.781 2.009 20 10 DECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cccnn1 ZINC001188679649 796705518 /nfs/dbraw/zinc/70/55/18/796705518.db2.gz UOLWPJIWHZJCJT-UHFFFAOYSA-N -1 3 314.732 2.314 20 10 DECDHM CC(C)(C)N1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193225008 797535176 /nfs/dbraw/zinc/53/51/76/797535176.db2.gz FLDJLFZBBHUCGO-UHFFFAOYSA-N -1 3 312.797 2.308 20 10 DECDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1c([O-])cccc1F ZINC001156169994 797938239 /nfs/dbraw/zinc/93/82/39/797938239.db2.gz BBHZXRRGUAUKTH-UHFFFAOYSA-N -1 3 323.255 2.091 20 10 DECDHM Cc1cn2c(nc(C)c2CNC(=O)c2cccc(O)c2[O-])s1 ZINC001159265444 798544140 /nfs/dbraw/zinc/54/41/40/798544140.db2.gz DKPYYFNAHMUFEN-UHFFFAOYSA-N -1 3 317.370 2.354 20 10 DECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])cc(S(C)(=O)=O)c1 ZINC001152838896 798703051 /nfs/dbraw/zinc/70/30/51/798703051.db2.gz MFOZNGJFLWCMQL-UHFFFAOYSA-N -1 3 321.354 2.062 20 10 DECDHM N[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001206237520 800494766 /nfs/dbraw/zinc/49/47/66/800494766.db2.gz JCCOVPCBHQZEMM-NSHDSACASA-N -1 3 310.703 2.217 20 10 DECDHM COCc1ccnc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001207250839 800717380 /nfs/dbraw/zinc/71/73/80/800717380.db2.gz UUFICINYVJBULT-UHFFFAOYSA-N -1 3 305.309 2.394 20 10 DECDHM CN1CC[C@@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229187186 801239266 /nfs/dbraw/zinc/23/92/66/801239266.db2.gz WPIXJGJNKKFUFR-LLVKDONJSA-N -1 3 323.348 2.251 20 10 DECDHM Cc1cc([O-])c(CN2CCN(c3cncnc3)CC2)cc1Cl ZINC001231870266 801742356 /nfs/dbraw/zinc/74/23/56/801742356.db2.gz QRZFSDHMBFCCOD-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM COc1cc([O-])c(CN2CCN(C(C)=O)[C@H](C)C2)cc1Cl ZINC001232267406 801832903 /nfs/dbraw/zinc/83/29/03/801832903.db2.gz BIXAFEOGHCZRCX-SNVBAGLBSA-N -1 3 312.797 2.107 20 10 DECDHM Cc1cncnc1O[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079684 802022571 /nfs/dbraw/zinc/02/25/71/802022571.db2.gz KDJSAVZNZZLMAD-LBPRGKRZSA-N -1 3 321.327 2.422 20 10 DECDHM Cc1nccnc1O[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079907 802023204 /nfs/dbraw/zinc/02/32/04/802023204.db2.gz NEQMHFUBZLUMFZ-GFCCVEGCSA-N -1 3 321.327 2.422 20 10 DECDHM COC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233451419 802120613 /nfs/dbraw/zinc/12/06/13/802120613.db2.gz KBRXLBZMUUFDLQ-UHFFFAOYSA-N -1 3 318.295 2.295 20 10 DECDHM C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272930 994616575 /nfs/dbraw/zinc/61/65/75/994616575.db2.gz VCNVKKUWUHRAOT-QPUJVOFHSA-N -1 3 301.289 2.165 20 10 DECDHM COc1cccc(CNCc2ccc(/C=C\C(=O)[O-])o2)c1O ZINC001599673768 994859550 /nfs/dbraw/zinc/85/95/50/994859550.db2.gz JGSOPHDYUAXLQG-FPLPWBNLSA-N -1 3 303.314 2.381 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602906117 1069792087 /nfs/dbraw/zinc/79/20/87/1069792087.db2.gz LTYVIJYEYGYCRC-BENRWUELSA-N -1 3 320.356 2.328 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602906117 1069792095 /nfs/dbraw/zinc/79/20/95/1069792095.db2.gz LTYVIJYEYGYCRC-BENRWUELSA-N -1 3 320.356 2.328 20 10 DECDHM CC[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056594 1070190935 /nfs/dbraw/zinc/19/09/35/1070190935.db2.gz VCQNXUCEMMUBQM-SMDDNHRTSA-N -1 3 319.409 2.022 20 10 DECDHM CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056493 1070190970 /nfs/dbraw/zinc/19/09/70/1070190970.db2.gz ULWQBYFWZHOBCB-MJVIPROJSA-N -1 3 317.393 2.181 20 10 DECDHM Cc1cc2ncc(C(=O)NCc3c([O-])cccc3F)c(C)n2n1 ZINC001456093826 1057815167 /nfs/dbraw/zinc/81/51/67/1057815167.db2.gz OKERQIIGLIAFSV-UHFFFAOYSA-N -1 3 314.320 2.121 20 10 DECDHM Cc1ccc(C(=O)NOCCOc2ccccc2)c([O-])c1O ZINC001457112861 1057946858 /nfs/dbraw/zinc/94/68/58/1057946858.db2.gz KPTGIDQVPCAWKX-UHFFFAOYSA-N -1 3 303.314 2.147 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@H]1CC(c2ccccc2)=NO1 ZINC001471975175 1060355213 /nfs/dbraw/zinc/35/52/13/1060355213.db2.gz RYHWSJQQHAVLKC-MRXNPFEDSA-N -1 3 314.316 2.341 20 10 DECDHM Cc1cc(C(N)=O)ccc1NC(=O)NCc1c([O-])cccc1F ZINC001476072142 1061067537 /nfs/dbraw/zinc/06/75/37/1061067537.db2.gz RBAVMRDNCVZNFT-UHFFFAOYSA-N -1 3 317.320 2.260 20 10 DECDHM O=C(NCc1cccc(Br)c1O)c1ccc([O-])cn1 ZINC001626822739 1078263964 /nfs/dbraw/zinc/26/39/64/1078263964.db2.gz ULKYRJAPQHSFMJ-UHFFFAOYSA-N -1 3 323.146 2.185 20 10 DECDHM O=C(NCc1cccc(Br)c1[O-])c1ccc(O)cn1 ZINC001626822739 1078263965 /nfs/dbraw/zinc/26/39/65/1078263965.db2.gz ULKYRJAPQHSFMJ-UHFFFAOYSA-N -1 3 323.146 2.185 20 10 DECDHM NC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001634383064 1078426845 /nfs/dbraw/zinc/42/68/45/1078426845.db2.gz VRGUGHUSWYIAPL-UHFFFAOYSA-N -1 3 306.705 2.102 20 10 DECDHM C[S@@](=O)c1ccc(CC(=O)NCc2c([O-])cccc2F)cc1 ZINC001558454342 1075094599 /nfs/dbraw/zinc/09/45/99/1075094599.db2.gz FDFHWBKKUXNAAP-JOCHJYFZSA-N -1 3 321.373 2.128 20 10 DECDHM O=C(COCCc1ccccc1)NCc1c([O-])cccc1F ZINC001558454269 1075094741 /nfs/dbraw/zinc/09/47/41/1075094741.db2.gz DKYQJKDARHCIOJ-UHFFFAOYSA-N -1 3 303.333 2.407 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1n[nH]c(=O)c2ccccc21 ZINC001558455194 1075094857 /nfs/dbraw/zinc/09/48/57/1075094857.db2.gz JOKHODBVYAQPSI-UHFFFAOYSA-N -1 3 313.288 2.110 20 10 DECDHM COC1(OC)CCOC[C@H]1NCc1cc(Cl)cc(F)c1[O-] ZINC001560574538 1075142335 /nfs/dbraw/zinc/14/23/35/1075142335.db2.gz VAPAATLAEYJBAY-GFCCVEGCSA-N -1 3 319.760 2.052 20 10 DECDHM C[C@@H]1OCC[C@@]12CN(Cc1cc(F)c(F)cc1[O-])C[C@@H](C)O2 ZINC001560803655 1075145985 /nfs/dbraw/zinc/14/59/85/1075145985.db2.gz CDCADHYADBIEQO-OHUAYANFSA-N -1 3 313.344 2.439 20 10 DECDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)C1=CC(=O)CS1 ZINC001580932944 1076022391 /nfs/dbraw/zinc/02/23/91/1076022391.db2.gz AQMGYTVEGXIOMJ-UHFFFAOYSA-N -1 3 319.321 2.334 20 10 DECDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)C1=CC(=O)CS1 ZINC001580932944 1076022398 /nfs/dbraw/zinc/02/23/98/1076022398.db2.gz AQMGYTVEGXIOMJ-UHFFFAOYSA-N -1 3 319.321 2.334 20 10 DECDHM C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952828 1076534903 /nfs/dbraw/zinc/53/49/03/1076534903.db2.gz DGQYSVMIAYCJGJ-QWRGUYRKSA-N -1 3 317.393 2.181 20 10 DECDHM CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])OC ZINC001590401741 1076621716 /nfs/dbraw/zinc/62/17/16/1076621716.db2.gz XAAGWLUGFVXTKC-MISXGVKJSA-N -1 3 319.409 2.284 20 10 DECDHM CO[C@@H]([C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C1CC1 ZINC001591326443 1076723129 /nfs/dbraw/zinc/72/31/29/1076723129.db2.gz LDRNMYAHHDIMKV-FTGAXOIBSA-N -1 3 317.393 2.036 20 10 DECDHM COc1ccc(O)c(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001609358439 1077840182 /nfs/dbraw/zinc/84/01/82/1077840182.db2.gz ZNEUMRWXBOWHAG-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM O=C1CCCN1[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001651969930 1079844367 /nfs/dbraw/zinc/84/43/67/1079844367.db2.gz GINPBXOGLZNGRU-LBPRGKRZSA-N -1 3 310.344 2.257 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cnn(-c2cccnc2)c1 ZINC001652298968 1079866522 /nfs/dbraw/zinc/86/65/22/1079866522.db2.gz WOSZKJMDDSDZIB-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM CCc1onc(C)c1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001653149609 1079916645 /nfs/dbraw/zinc/91/66/45/1079916645.db2.gz LBFSVFODONDBBN-UHFFFAOYSA-N -1 3 321.333 2.458 20 10 DECDHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(Cl)cc1[O-] ZINC001658517912 1080209726 /nfs/dbraw/zinc/20/97/26/1080209726.db2.gz PLJJUJQPSGKXCI-UWVGGRQHSA-N -1 3 305.827 2.299 20 10 DECDHM [O-]c1cc(Cl)ccc1C[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC001659541627 1080243081 /nfs/dbraw/zinc/24/30/81/1080243081.db2.gz AVEBYIFPXLLWOJ-GFCCVEGCSA-N -1 3 308.769 2.305 20 10 DECDHM COc1cnc(F)c(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001674174538 1081850538 /nfs/dbraw/zinc/85/05/38/1081850538.db2.gz VBPIELKYFJUBPB-UHFFFAOYSA-N -1 3 309.272 2.396 20 10 DECDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@H]1CO ZINC001235295798 1084377159 /nfs/dbraw/zinc/37/71/59/1084377159.db2.gz FUHDFYRFMTZWQO-SNVBAGLBSA-N -1 3 304.159 2.251 20 10 DECDHM COC[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000707144715 1086659430 /nfs/dbraw/zinc/65/94/30/1086659430.db2.gz QSDOJWYPCCKRIU-JTQLQIEISA-N -1 3 316.195 2.002 20 10 DECDHM C[C@]1(CO)CN(Cc2cc(Cl)c(Cl)cc2[O-])CC[C@H]1O ZINC001236794807 1138429675 /nfs/dbraw/zinc/42/96/75/1138429675.db2.gz UZOAJDULDARYIQ-ZIAGYGMSSA-N -1 3 320.216 2.264 20 10 DECDHM COc1cc([O-])c(CN2CCc3c(cnn3C)C2)c(Cl)c1 ZINC001236809014 1138435439 /nfs/dbraw/zinc/43/54/39/1138435439.db2.gz SIWPIGBFWUFCJI-UHFFFAOYSA-N -1 3 307.781 2.346 20 10 DECDHM Cc1cc([O-])c(CN2C[C@@H](F)C[C@H]2CO)cc1Br ZINC001237678172 1138752972 /nfs/dbraw/zinc/75/29/72/1138752972.db2.gz VPZRUPQYJIWRKF-QWRGUYRKSA-N -1 3 318.186 2.368 20 10 DECDHM O=C1NCC2(CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)O1 ZINC001237948441 1138812119 /nfs/dbraw/zinc/81/21/19/1138812119.db2.gz FETSJQMDTGAGNU-UHFFFAOYSA-N -1 3 314.744 2.259 20 10 DECDHM CN(c1c([O-])cccc1F)S(=O)(=O)Cc1ccc(N)cc1 ZINC001249993698 1142066782 /nfs/dbraw/zinc/06/67/82/1142066782.db2.gz ZXQJZEATNFVTGM-UHFFFAOYSA-N -1 3 310.350 2.080 20 10 DECDHM COc1ccc(C(=O)NCc2c([O-])cccc2F)c(N)c1F ZINC001303875167 1147337346 /nfs/dbraw/zinc/33/73/46/1147337346.db2.gz BREKMNLYBAWZRW-UHFFFAOYSA-N -1 3 308.284 2.191 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1Cc2ccc(O)cc2C2(CC2)C1 ZINC001324691446 1147831700 /nfs/dbraw/zinc/83/17/00/1147831700.db2.gz UDTBYCYILFSVIE-UHFFFAOYSA-N -1 3 311.337 2.491 20 10 DECDHM CCCCN1CC(=O)N[C@@H]1c1cc(Br)ccc1[O-] ZINC000077475157 355207752 /nfs/dbraw/zinc/20/77/52/355207752.db2.gz CQFMFLWXCJWMQS-ZDUSSCGKSA-N -1 3 313.195 2.385 20 10 DECDHM COc1cc(Cl)cc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000184685038 402291621 /nfs/dbraw/zinc/29/16/21/402291621.db2.gz LVCZKIPFIMDPPN-OLZOCXBDSA-N -1 3 324.808 2.297 20 10 DECDHM C[C@@H](NCC(F)(F)CO)c1ccc(Br)cc1[O-] ZINC000184713032 402294232 /nfs/dbraw/zinc/29/42/32/402294232.db2.gz LRWYCYDYNGUHSQ-SSDOTTSWSA-N -1 3 310.138 2.433 20 10 DECDHM Cc1noc([C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])C2)n1 ZINC000177675082 402425561 /nfs/dbraw/zinc/42/55/61/402425561.db2.gz BZQUFGLMOSMNFX-LLVKDONJSA-N -1 3 317.345 2.117 20 10 DECDHM CCC1(O)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278142018 402859192 /nfs/dbraw/zinc/85/91/92/402859192.db2.gz BBXCJEJASMLTQT-UHFFFAOYSA-N -1 3 310.350 2.046 20 10 DECDHM CCS(=O)(=O)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000278570810 402868550 /nfs/dbraw/zinc/86/85/50/402868550.db2.gz BZJPFXPTZVBKFO-UHFFFAOYSA-N -1 3 317.838 2.445 20 10 DECDHM CCCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000280429940 402999230 /nfs/dbraw/zinc/99/92/30/402999230.db2.gz JNESUIPSGYGKNS-UHFFFAOYSA-N -1 3 309.362 2.292 20 10 DECDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CCN1CC(C)(C)O ZINC000276053845 403142440 /nfs/dbraw/zinc/14/24/40/403142440.db2.gz URQBQLTXBAAFQP-LBPRGKRZSA-N -1 3 312.841 2.323 20 10 DECDHM Cc1ccc([C@H]2COCCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000187102588 292273572 /nfs/dbraw/zinc/27/35/72/292273572.db2.gz JELSCPGTOPCHDO-GFCCVEGCSA-N -1 3 303.314 2.213 20 10 DECDHM C[C@@H]1CCN(C(=O)c2ccoc2CC(N)=O)c2c([O-])cccc21 ZINC000354769527 403999547 /nfs/dbraw/zinc/99/95/47/403999547.db2.gz MCKPWFLDUJLCSA-SNVBAGLBSA-N -1 3 314.341 2.167 20 10 DECDHM CC[C@@H](NCCS(=O)(=O)C(C)C)c1ccc(F)cc1[O-] ZINC000290502308 404196302 /nfs/dbraw/zinc/19/63/02/404196302.db2.gz YGTJQXBZBMCXNK-CYBMUJFWSA-N -1 3 303.399 2.395 20 10 DECDHM CC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])[C@H](O)C(F)(F)F ZINC000270776434 280946421 /nfs/dbraw/zinc/94/64/21/280946421.db2.gz BQSSDUCNYRLWKF-ONGXEEELSA-N -1 3 308.256 2.092 20 10 DECDHM CCn1nncc1CNCc1ccc(Br)cc1[O-] ZINC000529637508 340765917 /nfs/dbraw/zinc/76/59/17/340765917.db2.gz CCHHBVTUCPWJOP-UHFFFAOYSA-N -1 3 311.183 2.056 20 10 DECDHM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cccc(O)c1[O-] ZINC000368735877 534753270 /nfs/dbraw/zinc/75/32/70/534753270.db2.gz JFHFIMIURVJSEX-GFCCVEGCSA-N -1 3 303.289 2.491 20 10 DECDHM COc1ccnc(N2CCN(Cc3cc(F)ccc3[O-])CC2)c1 ZINC000180072093 524845603 /nfs/dbraw/zinc/84/56/03/524845603.db2.gz PFHGCWVEUMUMHX-UHFFFAOYSA-N -1 3 317.364 2.257 20 10 DECDHM Cc1nnc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)n1C ZINC000366169990 526318952 /nfs/dbraw/zinc/31/89/52/526318952.db2.gz JNACNQIJHBNZJX-UHFFFAOYSA-N -1 3 324.340 2.454 20 10 DECDHM [O-]c1c(Cl)cccc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000180579382 526327214 /nfs/dbraw/zinc/32/72/14/526327214.db2.gz AXFBUIRCSRGLNJ-ZDUSSCGKSA-N -1 3 310.825 2.200 20 10 DECDHM O=[N+]([O-])c1cc(Cl)cc(CN2[C@@H]3CC[C@H]2CC(O)C3)c1[O-] ZINC000126613635 527332461 /nfs/dbraw/zinc/33/24/61/527332461.db2.gz RUMUHJJMLJIGIR-FOSCPWQOSA-N -1 3 312.753 2.442 20 10 DECDHM CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000320436039 600942257 /nfs/dbraw/zinc/94/22/57/600942257.db2.gz HWAWNIKWKOJPIC-STMXVASLSA-N -1 3 319.361 2.223 20 10 DECDHM Oc1ccc(CCNc2cccc(F)c2-c2nnn[n-]2)cc1O ZINC000823727213 606481591 /nfs/dbraw/zinc/48/15/91/606481591.db2.gz UVFKBMMHBYVCKK-UHFFFAOYSA-N -1 3 315.308 2.072 20 10 DECDHM Oc1ccc(CCNc2cccc(F)c2-c2nn[n-]n2)cc1O ZINC000823727213 606481592 /nfs/dbraw/zinc/48/15/92/606481592.db2.gz UVFKBMMHBYVCKK-UHFFFAOYSA-N -1 3 315.308 2.072 20 10 DECDHM Cc1ccc(C(=O)Nc2ccn(CC(F)(F)F)n2)c([O-])c1O ZINC000182853832 625280007 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CN1Cc2c(NC(=O)c3cccc(O)c3[O-])cccc2NC1=O ZINC001148220138 791714545 /nfs/dbraw/zinc/71/45/45/791714545.db2.gz SKLHXZYBDCZAFR-UHFFFAOYSA-N -1 3 313.313 2.327 20 10 DECDHM COc1cc(CCNC(=O)c2cccc(O)c2[O-])cc(OC)c1 ZINC001148220149 791715007 /nfs/dbraw/zinc/71/50/07/791715007.db2.gz SYPHUTHHWAWCSY-UHFFFAOYSA-N -1 3 317.341 2.088 20 10 DECDHM O=C(CCNC(=O)c1ccsc1)NCc1c([O-])cccc1F ZINC001178410104 794920789 /nfs/dbraw/zinc/92/07/89/794920789.db2.gz MMRBXUHYXRHSKA-UHFFFAOYSA-N -1 3 322.361 2.029 20 10 DECDHM CC(C)NC(=O)N[C@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC001138131073 796167428 /nfs/dbraw/zinc/16/74/28/796167428.db2.gz OSOVXNGBLZGGBY-ZDUSSCGKSA-N -1 3 309.385 2.203 20 10 DECDHM CCOC[C@H]1CN(Cc2cccc(F)c2[O-])Cc2cn(C)nc21 ZINC001138125734 796168073 /nfs/dbraw/zinc/16/80/73/796168073.db2.gz WUURIIZUEIJZDJ-CQSZACIVSA-N -1 3 319.380 2.401 20 10 DECDHM O=C(NC1CCN(Cc2cc(F)c(F)cc2[O-])CC1)C1CC1 ZINC001142525002 796747174 /nfs/dbraw/zinc/74/71/74/796747174.db2.gz SQHOHZAGAZLAFP-UHFFFAOYSA-N -1 3 310.344 2.161 20 10 DECDHM CCn1cc(NC(=O)c2ccc([O-])c(O)c2Cl)ccc1=O ZINC001193247210 797529944 /nfs/dbraw/zinc/52/99/44/797529944.db2.gz OZGLTJHPFNMTBB-UHFFFAOYSA-N -1 3 308.721 2.185 20 10 DECDHM O=S(=O)(CC=C(Cl)Cl)NCc1c([O-])cccc1F ZINC001195136817 797841883 /nfs/dbraw/zinc/84/18/83/797841883.db2.gz MGIVORNZFDQXTN-UHFFFAOYSA-N -1 3 314.165 2.270 20 10 DECDHM O=C(NCc1c([O-])cccc1F)C(F)(F)C1(O)CCCCC1 ZINC001156170513 797938440 /nfs/dbraw/zinc/93/84/40/797938440.db2.gz OOWINTFYAHZZJK-UHFFFAOYSA-N -1 3 317.307 2.478 20 10 DECDHM COC(=O)c1cccc(NC(=S)NCc2ncccc2[O-])c1 ZINC001195861791 797975230 /nfs/dbraw/zinc/97/52/30/797975230.db2.gz ZOQSXGQAVBSBBM-UHFFFAOYSA-N -1 3 317.370 2.060 20 10 DECDHM O=C1c2cccc(OC[C@@H]3CCO3)c2C(=O)c2cccc([O-])c21 ZINC001229186599 801238277 /nfs/dbraw/zinc/23/82/77/801238277.db2.gz MPNRMGQHUPKXBW-JTQLQIEISA-N -1 3 310.305 2.335 20 10 DECDHM C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446454 801667272 /nfs/dbraw/zinc/66/72/72/801667272.db2.gz JDVRKQOTYPKQHH-UHFFFAOYSA-N -1 3 324.377 2.047 20 10 DECDHM C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446454 801667279 /nfs/dbraw/zinc/66/72/79/801667279.db2.gz JDVRKQOTYPKQHH-UHFFFAOYSA-N -1 3 324.377 2.047 20 10 DECDHM O=C([O-])c1ccc(O)c(CN(CCO)Cc2cccs2)c1 ZINC001231564782 801686488 /nfs/dbraw/zinc/68/64/88/801686488.db2.gz YAZYRYFZAPTWSU-UHFFFAOYSA-N -1 3 307.371 2.146 20 10 DECDHM COc1cnc(-c2noc(-c3cccc(O)c3[O-])n2)c(OC)c1 ZINC001215145853 801812010 /nfs/dbraw/zinc/81/20/10/801812010.db2.gz NENAZWRACBWHDB-UHFFFAOYSA-N -1 3 315.285 2.227 20 10 DECDHM COc1nccc(-c2noc(-c3cccc(O)c3[O-])n2)c1F ZINC001215145761 801812029 /nfs/dbraw/zinc/81/20/29/801812029.db2.gz HLIRZLOEMCSWLL-UHFFFAOYSA-N -1 3 303.249 2.358 20 10 DECDHM CN1CC2(C1)CN(Cc1c([O-])cc(Br)cc1F)C2 ZINC001233033637 802007704 /nfs/dbraw/zinc/00/77/04/802007704.db2.gz RAJDAXUUDMLPCH-UHFFFAOYSA-N -1 3 315.186 2.041 20 10 DECDHM O=C([O-])C1CC2(C1)CC[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])O2 ZINC001594905159 954667725 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648981817 /nfs/dbraw/zinc/98/18/17/648981817.db2.gz BXBUKZIYPBMJOX-UHFFFAOYSA-N -1 3 321.474 2.060 20 10 DECDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])C1(CO)CCCC1 ZINC000848249900 651446970 /nfs/dbraw/zinc/44/69/70/651446970.db2.gz VBVVZBJEWASURQ-OAHLLOKOSA-N -1 3 307.390 2.405 20 10 DECDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)C1CCCC1 ZINC000849308763 651645740 /nfs/dbraw/zinc/64/57/40/651645740.db2.gz VOWHFNUELYCGMV-AWEZNQCLSA-N -1 3 317.382 2.478 20 10 DECDHM COc1ccc(N2CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C2)cc1 ZINC000855230299 651651982 /nfs/dbraw/zinc/65/19/82/651651982.db2.gz FXSWAVLTSQVLAW-SECBINFHSA-N -1 3 320.286 2.291 20 10 DECDHM CC(C)CCn1cc(C(=O)NCc2c([O-])cccc2F)nn1 ZINC000928704538 693830147 /nfs/dbraw/zinc/83/01/47/693830147.db2.gz BCZZGYUJGFMFNA-UHFFFAOYSA-N -1 3 306.341 2.099 20 10 DECDHM O=C(Nc1ccccc1N1CCCC1=O)c1cccc(O)c1[O-] ZINC000188091611 684349287 /nfs/dbraw/zinc/34/92/87/684349287.db2.gz RJTLGBFQWDDPGG-UHFFFAOYSA-N -1 3 312.325 2.477 20 10 DECDHM COC(=O)[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@@H](C)O1 ZINC000862487441 686309645 /nfs/dbraw/zinc/30/96/45/686309645.db2.gz PBZCCMSOYJOCQI-YGRLFVJLSA-N -1 3 313.781 2.116 20 10 DECDHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccccc2O)s1 ZINC000867833933 687803479 /nfs/dbraw/zinc/80/34/79/687803479.db2.gz ICIZFTXSVOHDPT-VIFPVBQESA-N -1 3 312.416 2.451 20 10 DECDHM COCCc1ccnc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC000931385895 694384045 /nfs/dbraw/zinc/38/40/45/694384045.db2.gz LSKCZJCCWYPXKD-UHFFFAOYSA-N -1 3 319.336 2.437 20 10 DECDHM CN1CCN(C(=O)c2c([O-])c(O)ccc2F)C[C@@H]1C(C)(C)C ZINC000880611802 690942711 /nfs/dbraw/zinc/94/27/11/690942711.db2.gz CPETXPGHKNASCX-GFCCVEGCSA-N -1 3 310.369 2.039 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000923909555 693074025 /nfs/dbraw/zinc/07/40/25/693074025.db2.gz HAXVSHDSIYMNIA-STQMWFEESA-N -1 3 322.380 2.393 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CC2(CCC2)CO1 ZINC000924043720 693084192 /nfs/dbraw/zinc/08/41/92/693084192.db2.gz VBNPIVYVQYPFCK-LLVKDONJSA-N -1 3 308.353 2.290 20 10 DECDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@H]1CO ZINC001144298410 790845550 /nfs/dbraw/zinc/84/55/50/790845550.db2.gz CZZLQHBCXVSIQQ-SECBINFHSA-N -1 3 304.159 2.251 20 10 DECDHM Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582131 791777457 /nfs/dbraw/zinc/77/74/57/791777457.db2.gz YAEBVJKXHJUGSA-UHFFFAOYSA-N -1 3 305.334 2.087 20 10 DECDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)n(C2CCC2)n1 ZINC001148583348 791777501 /nfs/dbraw/zinc/77/75/01/791777501.db2.gz ZLIUYWGBRXFFIC-UHFFFAOYSA-N -1 3 303.318 2.286 20 10 DECDHM CN(Cc1ccc(F)cc1F)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588265 791778830 /nfs/dbraw/zinc/77/88/30/791778830.db2.gz QDXIUOOVHGVRPW-UHFFFAOYSA-N -1 3 309.268 2.354 20 10 DECDHM O=C(N[C@H]1COc2ccc(Cl)cc21)c1cc(O)c([O-])c(O)c1 ZINC001148591057 791778865 /nfs/dbraw/zinc/77/88/65/791778865.db2.gz SFGZYNIIWNVJBA-JTQLQIEISA-N -1 3 321.716 2.320 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc(Cn2cccn2)o1 ZINC001178410075 794920961 /nfs/dbraw/zinc/92/09/61/794920961.db2.gz LCFGWJFYXGLARC-UHFFFAOYSA-N -1 3 315.304 2.299 20 10 DECDHM COCc1nnc2n1CCN(Cc1ccc3ccccc3c1[O-])C2 ZINC001182753389 795739942 /nfs/dbraw/zinc/73/99/42/795739942.db2.gz HSAQSIJPTKFOBE-UHFFFAOYSA-N -1 3 324.384 2.299 20 10 DECDHM CN1C[C@]2(CC1=O)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001139681662 796410241 /nfs/dbraw/zinc/41/02/41/796410241.db2.gz AKHQTWVMQUBQTM-MRXNPFEDSA-N -1 3 310.344 2.257 20 10 DECDHM CCn1cc2c(n1)CN(Cc1cc(F)ccc1[O-])C[C@@H]2COC ZINC001140063057 796472302 /nfs/dbraw/zinc/47/23/02/796472302.db2.gz JIZAJVMOQKNHRN-CYBMUJFWSA-N -1 3 319.380 2.494 20 10 DECDHM CC1(C)CN(C2CN(Cc3c([O-])cccc3Cl)C2)CCO1 ZINC001140341179 796509365 /nfs/dbraw/zinc/50/93/65/796509365.db2.gz AUQAMBXQKOAUIP-UHFFFAOYSA-N -1 3 310.825 2.341 20 10 DECDHM [O-]c1cc(Cl)ccc1CN1CCN(c2ccncn2)CC1 ZINC001140466084 796526465 /nfs/dbraw/zinc/52/64/65/796526465.db2.gz WPABIPMMCIJJEP-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM CN(C)C(=O)[C@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517523 796747472 /nfs/dbraw/zinc/74/74/72/796747472.db2.gz QGUPUZNIMBGJHL-GFCCVEGCSA-N -1 3 324.371 2.361 20 10 DECDHM COc1cccc(OC)c1C(=O)NCc1c([O-])cccc1F ZINC001156170758 797937949 /nfs/dbraw/zinc/93/79/49/797937949.db2.gz UFMOEBMMCSRQGX-UHFFFAOYSA-N -1 3 305.305 2.479 20 10 DECDHM CNC(=O)Nc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001156177226 797940096 /nfs/dbraw/zinc/94/00/96/797940096.db2.gz BRRWVJOEVJGAEU-UHFFFAOYSA-N -1 3 317.320 2.213 20 10 DECDHM [O-]c1cccnc1CNC(=S)Nc1ccc2c(c1)OCO2 ZINC001198309311 798320841 /nfs/dbraw/zinc/32/08/41/798320841.db2.gz KKSAJOSJQFXIEX-UHFFFAOYSA-N -1 3 303.343 2.003 20 10 DECDHM [O-]c1ccc(Cl)cc1CN1CCN(c2ccncn2)CC1 ZINC001203664680 800102162 /nfs/dbraw/zinc/10/21/62/800102162.db2.gz PLKYSTCUTRPVMG-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455428 801669232 /nfs/dbraw/zinc/66/92/32/801669232.db2.gz NNICNPLVJVLAAW-UHFFFAOYSA-N -1 3 315.325 2.451 20 10 DECDHM C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455428 801669237 /nfs/dbraw/zinc/66/92/37/801669237.db2.gz NNICNPLVJVLAAW-UHFFFAOYSA-N -1 3 315.325 2.451 20 10 DECDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000401053288 801817018 /nfs/dbraw/zinc/81/70/18/801817018.db2.gz LZKUCSZGELPSBX-UWVGGRQHSA-N -1 3 303.811 2.053 20 10 DECDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc3ccnn32)no1 ZINC001215327564 801836457 /nfs/dbraw/zinc/83/64/57/801836457.db2.gz IMQNSDXPIOZBJK-UHFFFAOYSA-N -1 3 310.269 2.168 20 10 DECDHM COc1nccc(C)c1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215328465 801836823 /nfs/dbraw/zinc/83/68/23/801836823.db2.gz GFUILEGVKWXTIR-UHFFFAOYSA-N -1 3 315.285 2.232 20 10 DECDHM [O-]c1ccc(F)c(F)c1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC001233332508 802078528 /nfs/dbraw/zinc/07/85/28/802078528.db2.gz NHCBFQLQRIWNBQ-LBPRGKRZSA-N -1 3 311.250 2.417 20 10 DECDHM Cn1cnnc1C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335161 802080337 /nfs/dbraw/zinc/08/03/37/802080337.db2.gz JYTBRLHTTXEXDV-UHFFFAOYSA-N -1 3 308.332 2.179 20 10 DECDHM C[C@H]1CN(C)C(=O)CN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455329 802121755 /nfs/dbraw/zinc/12/17/55/802121755.db2.gz GDJZSNYOFIIZGI-VIFPVBQESA-N -1 3 302.296 2.074 20 10 DECDHM COc1cc(Br)cc([C@@H](C)[NH2+]CCC(=O)[O-])c1[O-] ZINC001594050065 957973816 /nfs/dbraw/zinc/97/38/16/957973816.db2.gz OAQWVJNEEYEKRU-SSDOTTSWSA-N -1 3 318.167 2.289 20 10 DECDHM CCOCCC[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](C)C(=O)[O-] ZINC001596915325 985941730 /nfs/dbraw/zinc/94/17/30/985941730.db2.gz WGBZPQCOKRKSER-GFCCVEGCSA-N -1 3 313.369 2.481 20 10 DECDHM CCOCCC[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](C)C(=O)[O-] ZINC001596915325 985941742 /nfs/dbraw/zinc/94/17/42/985941742.db2.gz WGBZPQCOKRKSER-GFCCVEGCSA-N -1 3 313.369 2.481 20 10 DECDHM CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C1 ZINC001603356573 1069953992 /nfs/dbraw/zinc/95/39/92/1069953992.db2.gz DRHKPSDRAZWKIO-UTUOFQBUSA-N -1 3 317.393 2.179 20 10 DECDHM CC(C)c1noc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC001604027363 1070178777 /nfs/dbraw/zinc/17/87/77/1070178777.db2.gz CYZLFGHOLGNRTR-JTQLQIEISA-N -1 3 319.361 2.490 20 10 DECDHM CN1CCCc2cc(CNc3ncccc3-c3nnn[n-]3)ccc21 ZINC001604863189 1070518034 /nfs/dbraw/zinc/51/80/34/1070518034.db2.gz VHKXFWCTKUMUQA-UHFFFAOYSA-N -1 3 321.388 2.256 20 10 DECDHM CN1CCCc2cc(CNc3ncccc3-c3nn[n-]n3)ccc21 ZINC001604863189 1070518043 /nfs/dbraw/zinc/51/80/43/1070518043.db2.gz VHKXFWCTKUMUQA-UHFFFAOYSA-N -1 3 321.388 2.256 20 10 DECDHM CCN(CC)C(=O)CCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605422934 1070708919 /nfs/dbraw/zinc/70/89/19/1070708919.db2.gz GPDFGXHGQGUVQM-GFCCVEGCSA-N -1 3 322.405 2.390 20 10 DECDHM COc1ccc(N(C)CCN(C)Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC001607268215 1071388574 /nfs/dbraw/zinc/38/85/74/1071388574.db2.gz RTOJTNULBLYWSB-UHFFFAOYSA-N -1 3 317.389 2.290 20 10 DECDHM O=Cc1cccc(OCC(=O)NCc2c([O-])cccc2F)c1 ZINC001456029965 1057807879 /nfs/dbraw/zinc/80/78/79/1057807879.db2.gz PFWOJIHBPFBARE-UHFFFAOYSA-N -1 3 303.289 2.039 20 10 DECDHM COC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1C ZINC001628175470 1078291572 /nfs/dbraw/zinc/29/15/72/1078291572.db2.gz QHDDQERSAUNMAN-UHFFFAOYSA-N -1 3 301.298 2.445 20 10 DECDHM COc1ccc(CC(=O)NCc2c([O-])cccc2F)cc1OC ZINC001638858046 1078582990 /nfs/dbraw/zinc/58/29/90/1078582990.db2.gz FIWHMDIJEVFOOI-UHFFFAOYSA-N -1 3 319.332 2.407 20 10 DECDHM Cc1cc(C(F)F)n(CC(=O)NCc2c([O-])cccc2F)n1 ZINC001638866589 1078584675 /nfs/dbraw/zinc/58/46/75/1078584675.db2.gz FQTNNJBTGUOLQT-UHFFFAOYSA-N -1 3 313.279 2.290 20 10 DECDHM Cn1nnc2cc(NC(=O)NCc3c([O-])cccc3F)ccc21 ZINC001562989111 1074433125 /nfs/dbraw/zinc/43/31/25/1074433125.db2.gz PMRJIOJLEFTWFK-UHFFFAOYSA-N -1 3 315.308 2.135 20 10 DECDHM C[C@H]1OCC[C@]12CN(Cc1cc(F)c(F)cc1[O-])C[C@@H](C)O2 ZINC001560803656 1075146261 /nfs/dbraw/zinc/14/62/61/1075146261.db2.gz CDCADHYADBIEQO-UVWXRNBGSA-N -1 3 313.344 2.439 20 10 DECDHM O=C(NCCc1cccc(O)c1)NCc1c([O-])cccc1F ZINC001563872142 1075170444 /nfs/dbraw/zinc/17/04/44/1075170444.db2.gz OJXICPQUKKICQO-UHFFFAOYSA-N -1 3 304.321 2.279 20 10 DECDHM NCc1nc2c(s1)CCN(Cc1cc(F)cc(F)c1[O-])C2 ZINC001580352526 1075909484 /nfs/dbraw/zinc/90/94/84/1075909484.db2.gz QSKPQZMVMOXNPN-UHFFFAOYSA-N -1 3 311.357 2.144 20 10 DECDHM [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001582814447 1076187230 /nfs/dbraw/zinc/18/72/30/1076187230.db2.gz LKOXQQFLBOBDJA-UHFFFAOYSA-N -1 3 317.299 2.140 20 10 DECDHM C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953881 1076535171 /nfs/dbraw/zinc/53/51/71/1076535171.db2.gz WTLXHVOTMOKNKT-MNOVXSKESA-N -1 3 319.409 2.020 20 10 DECDHM C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961167 1076537647 /nfs/dbraw/zinc/53/76/47/1076537647.db2.gz BQLLWDYAQBPRLD-MNOVXSKESA-N -1 3 317.393 2.181 20 10 DECDHM C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1cccnc1 ZINC001589973109 1076540965 /nfs/dbraw/zinc/54/09/65/1076540965.db2.gz BKGNNSBNKKRQFJ-QWRGUYRKSA-N -1 3 310.361 2.379 20 10 DECDHM CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464001 1076632625 /nfs/dbraw/zinc/63/26/25/1076632625.db2.gz NYPGMUQASWYINE-CJNGLKHVSA-N -1 3 319.409 2.020 20 10 DECDHM CCC(O)(CC)CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590473840 1076635984 /nfs/dbraw/zinc/63/59/84/1076635984.db2.gz WDLSJINHBPAXFX-NSHDSACASA-N -1 3 319.409 2.164 20 10 DECDHM NC(=S)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001596913470 1077084601 /nfs/dbraw/zinc/08/46/01/1077084601.db2.gz ZTZMKSZNNMQBSC-UHFFFAOYSA-N -1 3 304.346 2.096 20 10 DECDHM Cc1cc(Br)cc(C[NH2+][C@H](C(=O)[O-])C2CC2)c1[O-] ZINC001600071745 1077131310 /nfs/dbraw/zinc/13/13/10/1077131310.db2.gz FIMLGJQLGNTXON-NSHDSACASA-N -1 3 314.179 2.416 20 10 DECDHM O=C([O-])[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001601772103 1077450489 /nfs/dbraw/zinc/45/04/89/1077450489.db2.gz JGOVKCGKUUSWKT-HZPDHXFCSA-N -1 3 313.353 2.079 20 10 DECDHM O=C([O-])[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001601772103 1077450492 /nfs/dbraw/zinc/45/04/92/1077450492.db2.gz JGOVKCGKUUSWKT-HZPDHXFCSA-N -1 3 313.353 2.079 20 10 DECDHM O=C([O-])[C@H]1C[C@@H](O)CN1Cc1cc(-c2ccccc2)ccc1O ZINC001601772103 1077450494 /nfs/dbraw/zinc/45/04/94/1077450494.db2.gz JGOVKCGKUUSWKT-HZPDHXFCSA-N -1 3 313.353 2.079 20 10 DECDHM O=C1N[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)CC[C@H]2CO1 ZINC001659594554 1080245550 /nfs/dbraw/zinc/24/55/50/1080245550.db2.gz VIKAMSDFCVUQQZ-GZMMTYOYSA-N -1 3 314.744 2.115 20 10 DECDHM COc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1 ZINC001671691462 1081533137 /nfs/dbraw/zinc/53/31/37/1081533137.db2.gz OEUFYWYSFXLSTN-UHFFFAOYSA-N -1 3 311.334 2.018 20 10 DECDHM CO[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H]1OC ZINC000700941282 1086346220 /nfs/dbraw/zinc/34/62/20/1086346220.db2.gz DOVLMZVZMVBHDI-BETUJISGSA-N -1 3 316.195 2.000 20 10 DECDHM CCCCN(CC(N)=O)Cc1c([O-])cccc1Br ZINC000707153066 1086662689 /nfs/dbraw/zinc/66/26/89/1086662689.db2.gz UVEWWTYUXUHKAO-UHFFFAOYSA-N -1 3 315.211 2.242 20 10 DECDHM CC(=O)N[C@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237085312 1138500980 /nfs/dbraw/zinc/50/09/80/1138500980.db2.gz XSKVRYWEOHFSAE-VIFPVBQESA-N -1 3 303.189 2.409 20 10 DECDHM CCN(CC(=O)OC)Cc1cc(Br)c(C)cc1[O-] ZINC001237686761 1138758603 /nfs/dbraw/zinc/75/86/03/1138758603.db2.gz XQHOENGFTLOFTD-UHFFFAOYSA-N -1 3 316.195 2.458 20 10 DECDHM CC1(C(N)=O)CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237799607 1138791383 /nfs/dbraw/zinc/79/13/83/1138791383.db2.gz SESIQXSWLFEQBS-UHFFFAOYSA-N -1 3 300.761 2.272 20 10 DECDHM O=C1NCC2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)O1 ZINC001237806034 1138795640 /nfs/dbraw/zinc/79/56/40/1138795640.db2.gz QJBBVXFMULWZBL-UHFFFAOYSA-N -1 3 314.744 2.259 20 10 DECDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(Cl)cc1[O-] ZINC001237938184 1138811426 /nfs/dbraw/zinc/81/14/26/1138811426.db2.gz VZKDMPGAUHNLNA-CHWSQXEVSA-N -1 3 312.772 2.380 20 10 DECDHM O=C(NCc1ccc2nonc2c1)NCc1c([O-])cccc1F ZINC001256209304 1143836656 /nfs/dbraw/zinc/83/66/56/1143836656.db2.gz JIUOQSHIQQXQAT-UHFFFAOYSA-N -1 3 316.292 2.067 20 10 DECDHM CCOC[C@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])CCO1 ZINC000529666019 284234891 /nfs/dbraw/zinc/23/48/91/284234891.db2.gz IVZFJXOKTWPFHB-CYBMUJFWSA-N -1 3 315.797 2.292 20 10 DECDHM [O-]c1ccc(Br)cc1CN(CCO)CC(F)F ZINC000193020173 304825078 /nfs/dbraw/zinc/82/50/78/304825078.db2.gz NSECIVUOCQQJMW-UHFFFAOYSA-N -1 3 310.138 2.214 20 10 DECDHM NC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000155015166 402242198 /nfs/dbraw/zinc/24/21/98/402242198.db2.gz SGMGDUUAQMPRPY-QMMMGPOBSA-N -1 3 303.189 2.396 20 10 DECDHM CCN(C)C(=O)CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000186818649 402466002 /nfs/dbraw/zinc/46/60/02/402466002.db2.gz YXYZUJAOMNXBQT-SECBINFHSA-N -1 3 315.211 2.284 20 10 DECDHM O=C(NCc1ccccc1-n1ccnc1)c1cccc(O)c1[O-] ZINC000187011473 402477809 /nfs/dbraw/zinc/47/78/09/402477809.db2.gz PWLAYBHSSQHNJU-UHFFFAOYSA-N -1 3 309.325 2.214 20 10 DECDHM O=C(c1cccc(F)c1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179574489 402594873 /nfs/dbraw/zinc/59/48/73/402594873.db2.gz BWLGUPLMFPWSQE-UHFFFAOYSA-N -1 3 314.360 2.489 20 10 DECDHM Cc1ccc(C(=O)N2CCn3c4ccccc4nc32)c([O-])c1O ZINC000181852278 402658967 /nfs/dbraw/zinc/65/89/67/402658967.db2.gz QZUVJUWTZWEDCU-UHFFFAOYSA-N -1 3 309.325 2.416 20 10 DECDHM CCn1ncnc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000193425895 402770729 /nfs/dbraw/zinc/77/07/29/402770729.db2.gz CZIWZBJRHUTXDJ-HNNXBMFYSA-N -1 3 316.405 2.185 20 10 DECDHM CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1O ZINC000271392384 402865817 /nfs/dbraw/zinc/86/58/17/402865817.db2.gz UIIDWOFIJAFQJE-PRHODGIISA-N -1 3 300.742 2.157 20 10 DECDHM COc1c([O-])c(CN[C@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278860226 402879419 /nfs/dbraw/zinc/87/94/19/402879419.db2.gz LUTCTUKJOFWDGT-CYBMUJFWSA-N -1 3 318.329 2.132 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000292414046 403359810 /nfs/dbraw/zinc/35/98/10/403359810.db2.gz BSUGMMVYHAMDID-ZFWWWQNUSA-N -1 3 303.358 2.272 20 10 DECDHM CCc1noc(C)c1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000293643219 403526716 /nfs/dbraw/zinc/52/67/16/403526716.db2.gz MKTMEAUQHFDULG-UHFFFAOYSA-N -1 3 321.333 2.458 20 10 DECDHM CCc1nnc(CNCc2cc(Br)ccc2[O-])[nH]1 ZINC000294661990 403725268 /nfs/dbraw/zinc/72/52/68/403725268.db2.gz ALOCNPCTRVOICG-UHFFFAOYSA-N -1 3 311.183 2.125 20 10 DECDHM CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000296020171 404053356 /nfs/dbraw/zinc/05/33/56/404053356.db2.gz LCHOPJGFYWNPJZ-VIFPVBQESA-N -1 3 321.295 2.494 20 10 DECDHM Cc1ccc(C(=O)N(C)CCNC(=O)OC(C)(C)C)c([O-])c1O ZINC000296966759 404393232 /nfs/dbraw/zinc/39/32/32/404393232.db2.gz OGESTOGOHHRUKK-UHFFFAOYSA-N -1 3 324.377 2.003 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC[C@]2(C1)OCc1ccccc12 ZINC000366167441 404765783 /nfs/dbraw/zinc/76/57/83/404765783.db2.gz BDZSNZKPQRWOHP-GOSISDBHSA-N -1 3 311.337 2.369 20 10 DECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC([C@H]3CCOC3)C2)c1[O-] ZINC000366250983 404779452 /nfs/dbraw/zinc/77/94/52/404779452.db2.gz UECHMYGNYRSGME-VIFPVBQESA-N -1 3 312.753 2.422 20 10 DECDHM CC(C)S(=O)(=O)CCN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000290354764 279744286 /nfs/dbraw/zinc/74/42/86/279744286.db2.gz QIQUILMRSFTBCE-VIFPVBQESA-N -1 3 307.362 2.144 20 10 DECDHM CCCCN(Cc1cc(F)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179884089 520544225 /nfs/dbraw/zinc/54/42/25/520544225.db2.gz TZOMSYUYKZNICB-AWEZNQCLSA-N -1 3 315.410 2.321 20 10 DECDHM Cc1nn(C)c(CNCc2ccccc2[O-])c1Br ZINC000228414796 527664013 /nfs/dbraw/zinc/66/40/13/527664013.db2.gz KHFBXNSMPCUFHD-UHFFFAOYSA-N -1 3 310.195 2.486 20 10 DECDHM CC[C@@H](N[C@@H](C)CS(=O)(=O)CC)c1ccc(F)cc1[O-] ZINC000285951571 535807933 /nfs/dbraw/zinc/80/79/33/535807933.db2.gz GEZXURYTQKLQFB-GXFFZTMASA-N -1 3 303.399 2.395 20 10 DECDHM Cn1cnc2cc(NCc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000822698926 607318205 /nfs/dbraw/zinc/31/82/05/607318205.db2.gz IRQLLDWKGBSLFX-UHFFFAOYSA-N -1 3 305.345 2.366 20 10 DECDHM Cc1cncc(C=CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822399615 607394177 /nfs/dbraw/zinc/39/41/77/607394177.db2.gz KULAXPYUZKNDER-VOTSOKGWSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1cncc(C=CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822399615 607394179 /nfs/dbraw/zinc/39/41/79/607394179.db2.gz KULAXPYUZKNDER-VOTSOKGWSA-N -1 3 320.356 2.246 20 10 DECDHM CN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812745 607436681 /nfs/dbraw/zinc/43/66/81/607436681.db2.gz SNLHGKVGGUHSPQ-FARCUNLSSA-N -1 3 324.319 2.077 20 10 DECDHM CN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812745 607436682 /nfs/dbraw/zinc/43/66/82/607436682.db2.gz SNLHGKVGGUHSPQ-FARCUNLSSA-N -1 3 324.319 2.077 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc(-n3ccnn3)c2)c([O-])c1O ZINC000182831825 625279707 /nfs/dbraw/zinc/27/97/07/625279707.db2.gz SMQQCNZGSSTARE-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM [O-]c1ccc(Br)cc1CNCc1csnn1 ZINC000309994856 625378844 /nfs/dbraw/zinc/37/88/44/625378844.db2.gz BWLCWXNJXROKEU-UHFFFAOYSA-N -1 3 300.181 2.296 20 10 DECDHM C[C@H]1Cc2ccccc2N1CCNC(=O)c1cccc(O)c1[O-] ZINC000188309592 625446528 /nfs/dbraw/zinc/44/65/28/625446528.db2.gz KCKIMDVQIQPBGT-LBPRGKRZSA-N -1 3 312.369 2.279 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000921636758 633841655 /nfs/dbraw/zinc/84/16/55/633841655.db2.gz QARNRMRYSNURPY-COLVAYQJSA-N -1 3 320.364 2.288 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CC12CCOCC2 ZINC000922105308 635867345 /nfs/dbraw/zinc/86/73/45/635867345.db2.gz SBIORAHHKDCDQJ-NSHDSACASA-N -1 3 308.353 2.147 20 10 DECDHM CC(C)C1(O)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000839132934 637800733 /nfs/dbraw/zinc/80/07/33/637800733.db2.gz NNLZUWOZZUFYRC-UHFFFAOYSA-N -1 3 300.196 2.357 20 10 DECDHM Cc1cc([O-])c(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(Cl)c1 ZINC000840947857 650393671 /nfs/dbraw/zinc/39/36/71/650393671.db2.gz OBSQLGYSDRHJNU-QWRGUYRKSA-N -1 3 317.838 2.361 20 10 DECDHM [O-]c1cccc(F)c1CNCc1cnc(N2CCCC2)nc1 ZINC000896639168 638621504 /nfs/dbraw/zinc/62/15/04/638621504.db2.gz AXCGOPIBFSKPGN-UHFFFAOYSA-N -1 3 302.353 2.211 20 10 DECDHM Cc1nn(CC(=O)NCc2c([O-])cccc2F)c(C)c1Cl ZINC000928711174 639488847 /nfs/dbraw/zinc/48/88/47/639488847.db2.gz GFKOLBRXCQMYJM-UHFFFAOYSA-N -1 3 311.744 2.314 20 10 DECDHM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)[C@@H](C)CN1CCO ZINC000841891206 650594337 /nfs/dbraw/zinc/59/43/37/650594337.db2.gz KIAJBGOJFSYESD-QWRGUYRKSA-N -1 3 316.804 2.072 20 10 DECDHM C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1O ZINC000897675784 640898683 /nfs/dbraw/zinc/89/86/83/640898683.db2.gz CAGVVBWZNXSKGU-CPCISQLKSA-N -1 3 304.159 2.106 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc3c2OCCO3)c([O-])c1O ZINC000780905168 642687242 /nfs/dbraw/zinc/68/72/42/642687242.db2.gz XNQKCFVSJPVHHD-UHFFFAOYSA-N -1 3 301.298 2.430 20 10 DECDHM COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000789861283 643783152 /nfs/dbraw/zinc/78/31/52/643783152.db2.gz UPIAOIXHKWRDLJ-CQSZACIVSA-N -1 3 315.369 2.428 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc(N3CCC3=O)c2)c([O-])c1O ZINC000791184571 643938416 /nfs/dbraw/zinc/93/84/16/643938416.db2.gz NORFPLOUGSKBKS-UHFFFAOYSA-N -1 3 312.325 2.395 20 10 DECDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](OCCO)C1 ZINC000792168000 644082570 /nfs/dbraw/zinc/08/25/70/644082570.db2.gz XIHXXHGFHFIKKF-JTQLQIEISA-N -1 3 303.761 2.158 20 10 DECDHM O=C(NCc1nccn1-c1ccccc1)c1cccc(O)c1[O-] ZINC000801968560 645470688 /nfs/dbraw/zinc/47/06/88/645470688.db2.gz VFQXNVTUVNQQKL-UHFFFAOYSA-N -1 3 309.325 2.214 20 10 DECDHM C[C@@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC(=O)N1 ZINC000840134514 646072633 /nfs/dbraw/zinc/07/26/33/646072633.db2.gz PJSKJHXDQMVWHH-LLVKDONJSA-N -1 3 314.385 2.338 20 10 DECDHM CC[C@H](NCc1nnn(C)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237693 646343027 /nfs/dbraw/zinc/34/30/27/646343027.db2.gz JVEPOQKJMHIIRU-JTQLQIEISA-N -1 3 315.299 2.175 20 10 DECDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1SC)C1CC1 ZINC000842588620 646427549 /nfs/dbraw/zinc/42/75/49/646427549.db2.gz NICNWPMECPPVNC-LBPRGKRZSA-N -1 3 317.432 2.281 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCC2(CCC2)O1 ZINC000924022384 648169018 /nfs/dbraw/zinc/16/90/18/648169018.db2.gz OEGRWZWDCMTKRM-LLVKDONJSA-N -1 3 308.353 2.432 20 10 DECDHM Cc1cc([O-])c(CN2CCS(=O)(=O)CC[C@H]2C)cc1Cl ZINC000825699235 648801261 /nfs/dbraw/zinc/80/12/61/648801261.db2.gz SROOUPQXDCBANR-LLVKDONJSA-N -1 3 317.838 2.363 20 10 DECDHM Cc1noc(C2CN(Cc3ccc(Br)cc3[O-])C2)n1 ZINC000826113324 648851846 /nfs/dbraw/zinc/85/18/46/648851846.db2.gz JJDNJBVHKBURIG-UHFFFAOYSA-N -1 3 324.178 2.446 20 10 DECDHM COC[C@]1(C(=O)OC)CCCN1Cc1cc(Cl)ccc1[O-] ZINC000827489901 649041747 /nfs/dbraw/zinc/04/17/47/649041747.db2.gz XUMAEXWBGHIXPW-HNNXBMFYSA-N -1 3 313.781 2.200 20 10 DECDHM CN1CCN(C(=O)c2cccc(O)c2[O-])c2ccc(F)cc21 ZINC000185760435 649604986 /nfs/dbraw/zinc/60/49/86/649604986.db2.gz PHCQXAOGZFSYPY-UHFFFAOYSA-N -1 3 302.305 2.334 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2nccn2C)c1 ZINC000850571886 651954636 /nfs/dbraw/zinc/95/46/36/651954636.db2.gz DKHJMZIKGMTFSB-GHMZBOCLSA-N -1 3 303.362 2.324 20 10 DECDHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)ccc1[O-] ZINC000093420642 684049209 /nfs/dbraw/zinc/04/92/09/684049209.db2.gz DAUDKMAXVJRICI-UWVGGRQHSA-N -1 3 305.827 2.299 20 10 DECDHM O=C(CCCc1nc(C2CC2)no1)NCc1c([O-])cccc1F ZINC000928704520 693830319 /nfs/dbraw/zinc/83/03/19/693830319.db2.gz AUPZQTNHKFIYDZ-UHFFFAOYSA-N -1 3 319.336 2.431 20 10 DECDHM O=C(CNC(=O)CC1CCCCC1)NCc1c([O-])cccc1F ZINC000928712855 693831793 /nfs/dbraw/zinc/83/17/93/693831793.db2.gz ZODYQDPMWZMIQX-UHFFFAOYSA-N -1 3 322.380 2.234 20 10 DECDHM Cn1nc(C(C)(C)C)cc1C(=O)NCc1c([O-])cccc1F ZINC000928710392 693832127 /nfs/dbraw/zinc/83/21/27/693832127.db2.gz CVELKOTVRBWACZ-UHFFFAOYSA-N -1 3 305.353 2.492 20 10 DECDHM CCC[C@@]1(C)C(=O)NCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000187352451 684335911 /nfs/dbraw/zinc/33/59/11/684335911.db2.gz PHBYUVQTLIXEQO-KRWDZBQOSA-N -1 3 322.380 2.225 20 10 DECDHM COC(=O)[C@@H](NCc1c([O-])cccc1Br)C1CC1 ZINC000862339590 686278617 /nfs/dbraw/zinc/27/86/17/686278617.db2.gz YYDWDNKALZSRHK-LBPRGKRZSA-N -1 3 314.179 2.196 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@](O)(c2ccccc2)C1 ZINC000862800351 686382848 /nfs/dbraw/zinc/38/28/48/686382848.db2.gz VXHRSCCHJOWZRD-GOSISDBHSA-N -1 3 313.353 2.222 20 10 DECDHM C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1c([O-])cccc1F ZINC000886632878 692141246 /nfs/dbraw/zinc/14/12/46/692141246.db2.gz ITZAGUQUEMIETI-SKDRFNHKSA-N -1 3 306.341 2.352 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Cc2nccs2)C1 ZINC000890214252 692892923 /nfs/dbraw/zinc/89/29/23/692892923.db2.gz BZXRRKAWURRBMD-SNVBAGLBSA-N -1 3 304.371 2.259 20 10 DECDHM CCOc1ncccc1CNC(=O)NCc1c([O-])cccc1F ZINC001332310754 1149847732 /nfs/dbraw/zinc/84/77/32/1149847732.db2.gz HMLFAVCZKFIOKB-UHFFFAOYSA-N -1 3 319.336 2.324 20 10 DECDHM [O-]c1cc(F)c(Br)cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC001144292479 790845049 /nfs/dbraw/zinc/84/50/49/790845049.db2.gz DGHUIQZTEJUHMV-AOOOYVTPSA-N -1 3 316.170 2.372 20 10 DECDHM C[C@@H]1CN(Cc2cc(Br)c(F)cc2[O-])CC[C@H]1O ZINC001144298957 790849719 /nfs/dbraw/zinc/84/97/19/790849719.db2.gz MRNGUPNSIFSCKV-PRHODGIISA-N -1 3 318.186 2.497 20 10 DECDHM Cc1cnccc1O[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148218610 791712643 /nfs/dbraw/zinc/71/26/43/791712643.db2.gz HLJBFIGEQJTFQV-LBPRGKRZSA-N -1 3 314.341 2.095 20 10 DECDHM COc1cccnc1[C@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC001148224703 791714978 /nfs/dbraw/zinc/71/49/78/791714978.db2.gz SUDDEKUFIHQQMB-CQSZACIVSA-N -1 3 314.341 2.383 20 10 DECDHM O=C(Nc1cc(Cl)nnc1Cl)c1cc(O)c([O-])c(O)c1 ZINC001148581348 791777652 /nfs/dbraw/zinc/77/76/52/791777652.db2.gz QJSBSZKGRHFYTK-UHFFFAOYSA-N -1 3 316.100 2.153 20 10 DECDHM CS(=O)(=O)N(c1ccc(N)cc1)c1c(F)ccc([O-])c1F ZINC001175268760 794173645 /nfs/dbraw/zinc/17/36/45/794173645.db2.gz TUBQDMZVJQLTNT-UHFFFAOYSA-N -1 3 314.313 2.350 20 10 DECDHM COC(=O)c1c(C)cc(NC(=O)c2cccc(O)c2[O-])nc1C ZINC001184450385 796066637 /nfs/dbraw/zinc/06/66/37/796066637.db2.gz IYDSJJSYTCUCPW-UHFFFAOYSA-N -1 3 316.313 2.149 20 10 DECDHM Cn1ncc2c1CN(Cc1c([O-])cccc1Br)CC2 ZINC001140103519 796476843 /nfs/dbraw/zinc/47/68/43/796476843.db2.gz MZMIRLTWVOKVOV-UHFFFAOYSA-N -1 3 322.206 2.447 20 10 DECDHM O=S(=O)(Nc1ccc([O-])c(Br)c1)C1CCC1 ZINC001188130100 796629890 /nfs/dbraw/zinc/62/98/90/796629890.db2.gz GEWFHYQIJAGRDR-UHFFFAOYSA-N -1 3 306.181 2.449 20 10 DECDHM Cc1cncnc1O[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531089 796747997 /nfs/dbraw/zinc/74/79/97/796747997.db2.gz PJSZFUBVEPKDAO-LBPRGKRZSA-N -1 3 321.327 2.422 20 10 DECDHM CN(C)c1ccncc1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193589969 797589321 /nfs/dbraw/zinc/58/93/21/797589321.db2.gz SYOKOYVEBXBUET-UHFFFAOYSA-N -1 3 307.737 2.465 20 10 DECDHM Cn1ncc(C(=O)NCc2c([O-])cccc2F)c1C(F)(F)F ZINC001156170557 797938045 /nfs/dbraw/zinc/93/80/45/797938045.db2.gz PUGUOYXSMPFGKY-UHFFFAOYSA-N -1 3 317.242 2.214 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCOc2cc(F)c(F)cc21 ZINC001164413919 799594082 /nfs/dbraw/zinc/59/40/82/799594082.db2.gz KTIRBKMZWUPVRB-UHFFFAOYSA-N -1 3 307.252 2.415 20 10 DECDHM COc1ccc(CN2CCC(F)(F)[C@H](N)C2)c([O-])c1Cl ZINC001206684449 799640905 /nfs/dbraw/zinc/64/09/05/799640905.db2.gz RXPKRFXPSJIZBS-SNVBAGLBSA-N -1 3 306.740 2.223 20 10 DECDHM [O-]c1ccc(Br)cc1CN1Cc2cncnc2C1 ZINC001203635679 800096249 /nfs/dbraw/zinc/09/62/49/800096249.db2.gz CRVVOSPGMCUNSC-UHFFFAOYSA-N -1 3 306.163 2.461 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1ccnn1[C@H]1CCOC1 ZINC000934093404 800256312 /nfs/dbraw/zinc/25/63/12/800256312.db2.gz HTVJVBBLRQMWGI-JTQLQIEISA-N -1 3 320.324 2.011 20 10 DECDHM COc1nccc(C)c1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215327643 801836173 /nfs/dbraw/zinc/83/61/73/801836173.db2.gz MBFBLTVNBHYANQ-UHFFFAOYSA-N -1 3 315.285 2.232 20 10 DECDHM [O-]c1c(CN2CCCN(c3ncccn3)CC2)ccc(F)c1F ZINC001233077684 802021291 /nfs/dbraw/zinc/02/12/91/802021291.db2.gz WLSAHBMJWUOZLN-UHFFFAOYSA-N -1 3 320.343 2.173 20 10 DECDHM CC(=O)N1CCCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415577 802112290 /nfs/dbraw/zinc/11/22/90/802112290.db2.gz BHJOCPIORRTUGB-UHFFFAOYSA-N -1 3 316.323 2.465 20 10 DECDHM O=C1c2cccc([O-])c2C(=O)c2c(OC3CC(O)C3)cccc21 ZINC001218257067 802160797 /nfs/dbraw/zinc/16/07/97/802160797.db2.gz UYDVNAAGLYIPTK-UHFFFAOYSA-N -1 3 310.305 2.070 20 10 DECDHM COC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])C1CCOCC1 ZINC001599173897 998641291 /nfs/dbraw/zinc/64/12/91/998641291.db2.gz SWZVCKVNDCRHCI-XHDPSFHLSA-N -1 3 323.389 2.183 20 10 DECDHM C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329132 1070328344 /nfs/dbraw/zinc/32/83/44/1070328344.db2.gz IDYMQZVEMAMSPD-NTZNESFSSA-N -1 3 304.390 2.366 20 10 DECDHM C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329343 1070329922 /nfs/dbraw/zinc/32/99/22/1070329922.db2.gz SKANRPRXBJVOIJ-FZMZJTMJSA-N -1 3 304.390 2.225 20 10 DECDHM COCCOC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001461978967 1058744549 /nfs/dbraw/zinc/74/45/49/1058744549.db2.gz ZMMIICUQVUISKI-UHFFFAOYSA-N -1 3 301.333 2.298 20 10 DECDHM CN(C)C(=O)CC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001462072840 1058758024 /nfs/dbraw/zinc/75/80/24/1058758024.db2.gz MDBMTUFTFFPAOL-UHFFFAOYSA-N -1 3 312.360 2.361 20 10 DECDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1[N+](=O)[O-] ZINC001466329912 1059453514 /nfs/dbraw/zinc/45/35/14/1059453514.db2.gz ZDSNMTOJLLXWAT-UHFFFAOYSA-N -1 3 304.258 2.267 20 10 DECDHM O=C(Nc1ccn(-c2ccncc2)n1)c1c(F)ccc(O)c1[O-] ZINC001472511249 1060526003 /nfs/dbraw/zinc/52/60/03/1060526003.db2.gz UDSIMDZKFFMCMU-UHFFFAOYSA-N -1 3 314.276 2.070 20 10 DECDHM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001567467580 1064212177 /nfs/dbraw/zinc/21/21/77/1064212177.db2.gz MPKFSLSJMDHOPI-JTQLQIEISA-N -1 3 319.332 2.232 20 10 DECDHM CN(C)[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001635361035 1078448491 /nfs/dbraw/zinc/44/84/91/1078448491.db2.gz WPYDHUVDCDNNFX-MRXNPFEDSA-N -1 3 302.349 2.450 20 10 DECDHM C[C@H]([NH2+]CC(=O)[N-]OCc1ccccc1)c1ccccc1[O-] ZINC001644183764 1078834387 /nfs/dbraw/zinc/83/43/87/1078834387.db2.gz RNNZVMLNVCWJMV-ZDUSSCGKSA-N -1 3 300.358 2.291 20 10 DECDHM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnncc1[O-] ZINC001540488048 1072414589 /nfs/dbraw/zinc/41/45/89/1072414589.db2.gz ARHMYAPAKUILDB-UHFFFAOYSA-N -1 3 312.373 2.055 20 10 DECDHM CN(C)c1cc(F)c(CNC[C@@H](CC(=O)[O-])C(F)F)cc1F ZINC001329309669 1148883130 /nfs/dbraw/zinc/88/31/30/1148883130.db2.gz ANOFREBANKGKRZ-SECBINFHSA-N -1 3 322.302 2.476 20 10 DECDHM COC(=O)c1cc(F)cc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001558457711 1075094415 /nfs/dbraw/zinc/09/44/15/1075094415.db2.gz SNGXUJNBLXXWHV-UHFFFAOYSA-N -1 3 321.279 2.387 20 10 DECDHM C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590203871 1076582706 /nfs/dbraw/zinc/58/27/06/1076582706.db2.gz XEEXSDBEPCTWQQ-USZNOCQGSA-N -1 3 317.393 2.179 20 10 DECDHM COc1ccc2c(c1)CCN2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591626891 1076765855 /nfs/dbraw/zinc/76/58/55/1076765855.db2.gz RRCFCQQBBUYMTN-UHFFFAOYSA-N -1 3 307.357 2.438 20 10 DECDHM COc1ccc2c(c1)CCN2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591626891 1076765859 /nfs/dbraw/zinc/76/58/59/1076765859.db2.gz RRCFCQQBBUYMTN-UHFFFAOYSA-N -1 3 307.357 2.438 20 10 DECDHM COc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])cc1O ZINC001610325069 1078003822 /nfs/dbraw/zinc/00/38/22/1078003822.db2.gz OSSKOEGCIMPCAP-OAHLLOKOSA-N -1 3 321.304 2.161 20 10 DECDHM COc1ccc(OCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001652295910 1079864545 /nfs/dbraw/zinc/86/45/45/1079864545.db2.gz UVYOOVHCQJAGQP-UHFFFAOYSA-N -1 3 305.305 2.235 20 10 DECDHM [O-]c1cccc(F)c1CN1CC(N2CCC(F)(F)CC2)C1 ZINC001137838548 1086631494 /nfs/dbraw/zinc/63/14/94/1086631494.db2.gz CNYMQGFXWKNXAA-UHFFFAOYSA-N -1 3 300.324 2.447 20 10 DECDHM C[C@@H](NCc1c([O-])cccc1Br)c1nncn1C ZINC000706829141 1086652641 /nfs/dbraw/zinc/65/26/41/1086652641.db2.gz MCOPTZWRYPUBRO-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM COc1cc([O-])c(CN2CCC[C@H]2C(=O)N(C)C)c(Cl)c1 ZINC001236800945 1138431458 /nfs/dbraw/zinc/43/14/58/1138431458.db2.gz CFGNGLHEPNQBAL-ZDUSSCGKSA-N -1 3 312.797 2.107 20 10 DECDHM O=C1CCC2(CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)N1 ZINC001237624022 1138721728 /nfs/dbraw/zinc/72/17/28/1138721728.db2.gz VBUGOLVEYQPQRQ-UHFFFAOYSA-N -1 3 312.772 2.429 20 10 DECDHM O=C(NCc1cc(C(F)F)on1)NCc1c([O-])cccc1F ZINC001256515959 1143851522 /nfs/dbraw/zinc/85/15/22/1143851522.db2.gz KHSFHBCPHBNKDW-UHFFFAOYSA-N -1 3 315.251 2.456 20 10 DECDHM CCCCOC(=O)CC[C@@H](C)NCC(=O)c1ccc([O-])c(O)c1 ZINC001257385206 1143902577 /nfs/dbraw/zinc/90/25/77/1143902577.db2.gz FMOJOAGQKLFOFJ-GFCCVEGCSA-N -1 3 323.389 2.382 20 10 DECDHM O=C(NC1CC1)c1c[nH]nc1NCc1ccc(Cl)cc1[O-] ZINC001308979601 1147492123 /nfs/dbraw/zinc/49/21/23/1147492123.db2.gz FZBUBVKZSOGWTL-UHFFFAOYSA-N -1 3 306.753 2.273 20 10 DECDHM CSc1cc(NC(=O)NCc2c([O-])cccc2F)ncn1 ZINC001311027497 1147528138 /nfs/dbraw/zinc/52/81/38/1147528138.db2.gz MBDGQSMYDCRDST-UHFFFAOYSA-N -1 3 308.338 2.365 20 10 DECDHM Cc1nnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)o1 ZINC000096971065 185394813 /nfs/dbraw/zinc/39/48/13/185394813.db2.gz CCGZFTQGZAAEJU-AWEZNQCLSA-N -1 3 303.362 2.265 20 10 DECDHM CCCCNC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976028 354893601 /nfs/dbraw/zinc/89/36/01/354893601.db2.gz YEWNMNXBESOMFK-INIZCTEOSA-N -1 3 320.433 2.290 20 10 DECDHM [O-]c1c(F)cccc1CN1CCN(Cc2ccncc2)CC1 ZINC000273766788 130164991 /nfs/dbraw/zinc/16/49/91/130164991.db2.gz QEHUZTWMPJVXCR-UHFFFAOYSA-N -1 3 301.365 2.244 20 10 DECDHM CN(Cc1cnc(N2CCOCC2)s1)Cc1ccccc1[O-] ZINC000120036971 401975292 /nfs/dbraw/zinc/97/52/92/401975292.db2.gz GCTBNTFFWDYAGX-UHFFFAOYSA-N -1 3 319.430 2.317 20 10 DECDHM CCCOc1ccc(CN(C)CC(=O)N(CC)CC)c([O-])c1 ZINC000155111849 402245572 /nfs/dbraw/zinc/24/55/72/402245572.db2.gz HBWPPVZZGLLREX-UHFFFAOYSA-N -1 3 308.422 2.481 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000175628488 402822512 /nfs/dbraw/zinc/82/25/12/402822512.db2.gz YPYLKBDZGYSCOU-GFCCVEGCSA-N -1 3 323.364 2.319 20 10 DECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CN(C)C ZINC000175843026 402837351 /nfs/dbraw/zinc/83/73/51/402837351.db2.gz CKQFZVCTTCTHLT-UHFFFAOYSA-N -1 3 315.211 2.065 20 10 DECDHM [O-]c1ccc(F)cc1CN1CCN(Cc2cccnc2)CC1 ZINC000183665616 402787105 /nfs/dbraw/zinc/78/71/05/402787105.db2.gz VMLPZCVQRKXBHN-UHFFFAOYSA-N -1 3 301.365 2.244 20 10 DECDHM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000278552965 402867986 /nfs/dbraw/zinc/86/79/86/402867986.db2.gz PMJVLHAGKPFXIQ-QGZVFWFLSA-N -1 3 321.373 2.149 20 10 DECDHM COc1c([O-])c(CN2CCC[C@@](C)(OC)C2)ccc1[N+](=O)[O-] ZINC000279745122 402961801 /nfs/dbraw/zinc/96/18/01/402961801.db2.gz XWBPBFPCQMWLEN-OAHLLOKOSA-N -1 3 310.350 2.310 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)c([O-])c1O ZINC000273054424 402966178 /nfs/dbraw/zinc/96/61/78/402966178.db2.gz XHPRDUPPDGEKQX-YPMHNXCESA-N -1 3 303.358 2.380 20 10 DECDHM C[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(F)ccc1[O-] ZINC000273478354 403008111 /nfs/dbraw/zinc/00/81/11/403008111.db2.gz TZWDCADMSMITDD-SNVBAGLBSA-N -1 3 318.352 2.180 20 10 DECDHM CS(=O)(=O)[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000274140826 403030463 /nfs/dbraw/zinc/03/04/63/403030463.db2.gz QTZIPMLHWPKHJQ-JTQLQIEISA-N -1 3 303.811 2.055 20 10 DECDHM Cn1ccc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000271001568 403251907 /nfs/dbraw/zinc/25/19/07/403251907.db2.gz LKTZSUVIBUBOBY-INIZCTEOSA-N -1 3 301.390 2.307 20 10 DECDHM NC(=O)C[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295243755 403809915 /nfs/dbraw/zinc/80/99/15/403809915.db2.gz FGGLGIHCGRUKQL-SECBINFHSA-N -1 3 300.761 2.272 20 10 DECDHM CC[C@H](C(=O)NCc1cccc(Br)c1[O-])N(C)C ZINC000277564700 287498374 /nfs/dbraw/zinc/49/83/74/287498374.db2.gz PVMCFMMSVKEBTJ-LLVKDONJSA-N -1 3 315.211 2.111 20 10 DECDHM CCN1CCN([C@H]2CCN(Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000180069385 279372021 /nfs/dbraw/zinc/37/20/21/279372021.db2.gz IJPNGZXUGBDRIC-HNNXBMFYSA-N -1 3 323.868 2.257 20 10 DECDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@@]2(CCCOC2)O1 ZINC001350320540 1151343783 /nfs/dbraw/zinc/34/37/83/1151343783.db2.gz ZXVBVXNEGDCUMR-MEDUHNTESA-N -1 3 313.344 2.440 20 10 DECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2nn[n-]c21 ZINC000188223990 333039479 /nfs/dbraw/zinc/03/94/79/333039479.db2.gz SYPKEFBEQVQCRR-UHFFFAOYSA-N -1 3 323.356 2.063 20 10 DECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2[n-]nnc21 ZINC000188223990 333039481 /nfs/dbraw/zinc/03/94/81/333039481.db2.gz SYPKEFBEQVQCRR-UHFFFAOYSA-N -1 3 323.356 2.063 20 10 DECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2n[n-]nc21 ZINC000188223990 333039482 /nfs/dbraw/zinc/03/94/82/333039482.db2.gz SYPKEFBEQVQCRR-UHFFFAOYSA-N -1 3 323.356 2.063 20 10 DECDHM Cc1nccn1-c1ccc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000373836151 534766860 /nfs/dbraw/zinc/76/68/60/534766860.db2.gz KCBURRZDWJEUQB-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM Cc1nc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)n[nH]1 ZINC000188233916 534862039 /nfs/dbraw/zinc/86/20/39/534862039.db2.gz IGRVQCUFNWDDCX-UHFFFAOYSA-N -1 3 310.313 2.444 20 10 DECDHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c([O-])c1O ZINC000182900816 526206438 /nfs/dbraw/zinc/20/64/38/526206438.db2.gz ZPKVOEQXXKDRTE-DFBGVHRSSA-N -1 3 303.358 2.094 20 10 DECDHM CN(C)C(=O)c1cc(NC(=O)c2cccc(O)c2[O-])ccc1F ZINC000193130471 625605877 /nfs/dbraw/zinc/60/58/77/625605877.db2.gz BDXFZFYMXUGYRR-UHFFFAOYSA-N -1 3 318.304 2.191 20 10 DECDHM CO[C@@H](CCNC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000922138587 635888210 /nfs/dbraw/zinc/88/82/10/635888210.db2.gz ZRYKFTGIVBJMQM-NSHDSACASA-N -1 3 324.274 2.298 20 10 DECDHM COCCN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000186774033 636562572 /nfs/dbraw/zinc/56/25/72/636562572.db2.gz YIIWLIUBPRVCSP-UHFFFAOYSA-N -1 3 301.342 2.387 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2ccn(C)n2)c1 ZINC000840818214 637775398 /nfs/dbraw/zinc/77/53/98/637775398.db2.gz XRDBWLWEEUTWES-MNOVXSKESA-N -1 3 303.362 2.324 20 10 DECDHM O=C1NCCC2(CCN(Cc3ccc(F)c(F)c3[O-])CC2)O1 ZINC000897009827 639129460 /nfs/dbraw/zinc/12/94/60/639129460.db2.gz CPKDILDARYULRK-UHFFFAOYSA-N -1 3 312.316 2.135 20 10 DECDHM C[C@@H](NCc1ccnc(N(C)C)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756790928 639694928 /nfs/dbraw/zinc/69/49/28/639694928.db2.gz PTOTZLCKKWLCJN-SNVBAGLBSA-N -1 3 317.349 2.007 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nnc(C)s2)c1 ZINC000757637284 639861922 /nfs/dbraw/zinc/86/19/22/639861922.db2.gz HFADPBURZWERSX-MRVPVSSYSA-N -1 3 307.375 2.190 20 10 DECDHM CC(=O)c1cc(CN(C)C2CC2)c([O-])c(CN2CCOCC2)c1 ZINC000192563671 641184127 /nfs/dbraw/zinc/18/41/27/641184127.db2.gz GSCSGYKFVIYJPG-UHFFFAOYSA-N -1 3 318.417 2.021 20 10 DECDHM COC(=O)[C@H](COC(C)C)N(C)Cc1cc(Cl)ccc1[O-] ZINC000770356490 641359829 /nfs/dbraw/zinc/35/98/29/641359829.db2.gz XDRBRNCVYFFSAX-ZDUSSCGKSA-N -1 3 315.797 2.444 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)OCO2 ZINC000776334292 642159553 /nfs/dbraw/zinc/15/95/53/642159553.db2.gz WDKMGAAEBZJFCP-SECBINFHSA-N -1 3 301.298 2.318 20 10 DECDHM COCCOc1ncccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780928668 642691190 /nfs/dbraw/zinc/69/11/90/642691190.db2.gz QEGSPOCQKORREY-UHFFFAOYSA-N -1 3 318.329 2.079 20 10 DECDHM CCNC(=O)CN(C)Cc1cc(C)cc(Br)c1[O-] ZINC000781899176 642796298 /nfs/dbraw/zinc/79/62/98/642796298.db2.gz HBSPOJOMXUQPLF-UHFFFAOYSA-N -1 3 315.211 2.031 20 10 DECDHM CC(C)N1C[C@H](NCc2c([O-])ccc(Cl)c2F)CC1=O ZINC000790967236 643914864 /nfs/dbraw/zinc/91/48/64/643914864.db2.gz LOYPYNPUIPERDH-SECBINFHSA-N -1 3 300.761 2.284 20 10 DECDHM O=S(=O)(CCNCc1c([O-])ccc(Cl)c1F)CC1CC1 ZINC000790977746 643915934 /nfs/dbraw/zinc/91/59/34/643915934.db2.gz RXKMIYOTRLYDEH-UHFFFAOYSA-N -1 3 321.801 2.099 20 10 DECDHM CN(C)[C@@H](CNC(=O)NCc1c([O-])cccc1F)c1ccco1 ZINC000913870794 647076859 /nfs/dbraw/zinc/07/68/59/647076859.db2.gz YXXDPROXAZJXJJ-ZDUSSCGKSA-N -1 3 321.352 2.226 20 10 DECDHM CN(Cc1ccc2ccccc2c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000816480649 647139266 /nfs/dbraw/zinc/13/92/66/647139266.db2.gz SOSXXQBUPVHJJU-AWEZNQCLSA-N -1 3 305.399 2.164 20 10 DECDHM Cc1cc(N(C)C)ccc1C[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000840383989 647655713 /nfs/dbraw/zinc/65/57/13/647655713.db2.gz CPFDBGJZFNVPIB-LBPRGKRZSA-N -1 3 310.405 2.144 20 10 DECDHM CC1(C)[C@H](NC(=O)NCc2c([O-])cccc2F)[C@H]2CCO[C@H]21 ZINC000920126571 648209240 /nfs/dbraw/zinc/20/92/40/648209240.db2.gz SWQSXVPFPBSMMB-OWYVNGRQSA-N -1 3 308.353 2.144 20 10 DECDHM O=C(CN1CCCC1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000822949991 648321482 /nfs/dbraw/zinc/32/14/82/648321482.db2.gz WEKXHYHHLFFKAH-UHFFFAOYSA-N -1 3 303.189 2.411 20 10 DECDHM COC(=O)[C@@H]1CCCN1Cc1ccc(Br)cc1[O-] ZINC000824549052 648608513 /nfs/dbraw/zinc/60/85/13/648608513.db2.gz VSXDNLIPBXPNMJ-NSHDSACASA-N -1 3 314.179 2.292 20 10 DECDHM COc1c([O-])c(CN2CCO[C@](C)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000826877177 648941556 /nfs/dbraw/zinc/94/15/56/648941556.db2.gz BWALUXKIJMFNLY-INIZCTEOSA-N -1 3 322.361 2.310 20 10 DECDHM Cc1nnc(CN(C)Cc2ccc(Br)cc2[O-])o1 ZINC000827039139 648963020 /nfs/dbraw/zinc/96/30/20/648963020.db2.gz ICDDSKGQNYPOAM-UHFFFAOYSA-N -1 3 312.167 2.478 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1ccc(F)cc1 ZINC000185873701 649653758 /nfs/dbraw/zinc/65/37/58/649653758.db2.gz MCSZGWTYNPSMHS-XPTSAGLGSA-N -1 3 305.305 2.089 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2nccn2C)c1 ZINC000850571887 651955015 /nfs/dbraw/zinc/95/50/15/651955015.db2.gz DKHJMZIKGMTFSB-MNOVXSKESA-N -1 3 303.362 2.324 20 10 DECDHM CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1c([O-])cccc1F ZINC000928709715 693830802 /nfs/dbraw/zinc/83/08/02/693830802.db2.gz DQJGDQUUCCBVBU-LBPRGKRZSA-N -1 3 322.302 2.324 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc(NC2CC2)nc1 ZINC000928712847 693831839 /nfs/dbraw/zinc/83/18/39/693831839.db2.gz ZJYDFCUICUNFTO-UHFFFAOYSA-N -1 3 301.321 2.431 20 10 DECDHM Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)c1[O-] ZINC000874045966 689345985 /nfs/dbraw/zinc/34/59/85/689345985.db2.gz JXZSHSZCDDUIBG-DKTWLAJQSA-N -1 3 314.179 2.416 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1ccnn1CC1CC1 ZINC000930931736 694277637 /nfs/dbraw/zinc/27/76/37/694277637.db2.gz ZUOXEDGZCPHKBT-UHFFFAOYSA-N -1 3 304.325 2.460 20 10 DECDHM [O-]c1c(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)ccc(F)c1F ZINC000877479717 690126290 /nfs/dbraw/zinc/12/62/90/690126290.db2.gz WXFSCALTKFHRAQ-OAHLLOKOSA-N -1 3 323.343 2.339 20 10 DECDHM CN(C)C(=O)OC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894862880 692989346 /nfs/dbraw/zinc/98/93/46/692989346.db2.gz KPLCUHYZZMGNBW-UHFFFAOYSA-N -1 3 314.332 2.333 20 10 DECDHM CCOC(=O)N[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001332691089 1149880931 /nfs/dbraw/zinc/88/09/31/1149880931.db2.gz PJSRTUCCSMOGCI-GFCCVEGCSA-N -1 3 314.332 2.381 20 10 DECDHM O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(O)c1[O-] ZINC001148219114 791712014 /nfs/dbraw/zinc/71/20/14/791712014.db2.gz TYUXFAHDBFTBES-UHFFFAOYSA-N -1 3 312.325 2.242 20 10 DECDHM O=C(NCC1(c2ccc(F)cn2)CC1)c1cccc(O)c1[O-] ZINC001148224461 791714247 /nfs/dbraw/zinc/71/42/47/791714247.db2.gz MISRNGNVDVAJBS-UHFFFAOYSA-N -1 3 302.305 2.094 20 10 DECDHM O=C(NCc1cccc2ncccc12)c1cc(O)c([O-])c(O)c1 ZINC001148590022 791778214 /nfs/dbraw/zinc/77/82/14/791778214.db2.gz VRJUDTLKLXYHDZ-UHFFFAOYSA-N -1 3 310.309 2.282 20 10 DECDHM Cc1cc(C)c(CNC(=O)c2cc(O)c([O-])c(O)c2)c(O)c1 ZINC001148591380 791779196 /nfs/dbraw/zinc/77/91/96/791779196.db2.gz YVHYYURYSHMZLP-UHFFFAOYSA-N -1 3 303.314 2.056 20 10 DECDHM O=C(N[C@@H]1CCCc2cnccc21)c1cc(O)c([O-])c(O)c1 ZINC001148591081 791779463 /nfs/dbraw/zinc/77/94/63/791779463.db2.gz SYVODPXFVDQQCA-GFCCVEGCSA-N -1 3 300.314 2.006 20 10 DECDHM O=C(Nc1ccncc1[O-])c1cc2cc(O)c(O)cc2s1 ZINC001182626534 795715212 /nfs/dbraw/zinc/71/52/12/795715212.db2.gz JSFIUQJOPYSZOP-UHFFFAOYSA-N -1 3 302.311 2.087 20 10 DECDHM [O-]c1cccc(F)c1CN1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001137835811 796144362 /nfs/dbraw/zinc/14/43/62/796144362.db2.gz OTNMFQNSNQKNMX-YSVLISHTSA-N -1 3 307.365 2.157 20 10 DECDHM Cn1cc2c(n1)CCN(Cc1c([O-])cccc1Br)C2 ZINC001140100873 796477332 /nfs/dbraw/zinc/47/73/32/796477332.db2.gz DTFDYZGPRFXRAB-UHFFFAOYSA-N -1 3 322.206 2.447 20 10 DECDHM COC(=O)CC[C@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001140468410 796526257 /nfs/dbraw/zinc/52/62/57/796526257.db2.gz JOSQTQTWYZCYRD-ZDUSSCGKSA-N -1 3 313.781 2.200 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1c1ccc(F)cc1 ZINC001140920946 796597937 /nfs/dbraw/zinc/59/79/37/796597937.db2.gz NEAOLEAKKMPAGC-AWEZNQCLSA-N -1 3 317.316 2.451 20 10 DECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1ccccc1F ZINC001150198029 796926757 /nfs/dbraw/zinc/92/67/57/796926757.db2.gz QEQCJYMQFAFKCD-ZFWWWQNUSA-N -1 3 319.332 2.479 20 10 DECDHM O=C(Nc1ncc(-c2cnccn2)s1)c1cccc(O)c1[O-] ZINC001162333691 799063647 /nfs/dbraw/zinc/06/36/47/799063647.db2.gz CRLYKELKIQJPAR-UHFFFAOYSA-N -1 3 314.326 2.264 20 10 DECDHM N[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001206237517 800494800 /nfs/dbraw/zinc/49/48/00/800494800.db2.gz JCCOVPCBHQZEMM-LLVKDONJSA-N -1 3 310.703 2.217 20 10 DECDHM O=S(=O)(NCc1c([O-])cccc1F)c1cc(F)cc(F)c1 ZINC001213797812 801643149 /nfs/dbraw/zinc/64/31/49/801643149.db2.gz OOAMZJREWSFSFL-UHFFFAOYSA-N -1 3 317.288 2.288 20 10 DECDHM COc1nccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1F ZINC001215328981 801837759 /nfs/dbraw/zinc/83/77/59/801837759.db2.gz XHIDOGCPRUHPPH-UHFFFAOYSA-N -1 3 319.248 2.063 20 10 DECDHM Cc1cc(O[C@H]2C[C@H](O)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218361177 802172030 /nfs/dbraw/zinc/17/20/30/802172030.db2.gz BNLJIQDJDGHPTA-XYPYZODXSA-N -1 3 324.332 2.378 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@H]1CCO1 ZINC001227938208 803297429 /nfs/dbraw/zinc/29/74/29/803297429.db2.gz UENUWJFZRSDSDH-GFCCVEGCSA-N -1 3 300.310 2.497 20 10 DECDHM CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001594989243 982839268 /nfs/dbraw/zinc/83/92/68/982839268.db2.gz IGBYDUDSIMWOJW-MNOVXSKESA-N -1 3 308.378 2.046 20 10 DECDHM COc1ccc(O)c(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC001599598721 993784775 /nfs/dbraw/zinc/78/47/75/993784775.db2.gz RGQWXAPZUGVNMK-HNNXBMFYSA-N -1 3 305.305 2.455 20 10 DECDHM COc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1O ZINC001599673690 994857697 /nfs/dbraw/zinc/85/76/97/994857697.db2.gz HPMXHFBKROCOGH-AWEZNQCLSA-N -1 3 305.305 2.455 20 10 DECDHM CC(C)CC[C@H](CO)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603278655 1069930287 /nfs/dbraw/zinc/93/02/87/1069930287.db2.gz RZEGMLNYZKUPGD-VXGBXAGGSA-N -1 3 319.409 2.020 20 10 DECDHM C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccn1 ZINC001603552236 1069985564 /nfs/dbraw/zinc/98/55/64/1069985564.db2.gz UUIGQCYOKRQVPL-RYUDHWBXSA-N -1 3 324.388 2.422 20 10 DECDHM CC[C@@H]([NH2+]CC[C@H](C)CCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053414 1070187068 /nfs/dbraw/zinc/18/70/68/1070187068.db2.gz CBPOHHFDMOHHFA-SMDDNHRTSA-N -1 3 319.409 2.022 20 10 DECDHM CC[C@H]([NH2+]CCC[C@H](C)CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056590 1070191421 /nfs/dbraw/zinc/19/14/21/1070191421.db2.gz VCQNXUCEMMUBQM-FZMZJTMJSA-N -1 3 319.409 2.022 20 10 DECDHM C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340338 1070337144 /nfs/dbraw/zinc/33/71/44/1070337144.db2.gz BFTFVBJFOZMRMS-SRVKXCTJSA-N -1 3 320.389 2.033 20 10 DECDHM CCOCCC[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604431098 1070385429 /nfs/dbraw/zinc/38/54/29/1070385429.db2.gz PRVAMGXKPGLLNW-ZDUSSCGKSA-N -1 3 305.382 2.040 20 10 DECDHM CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C1(C)C ZINC001605025396 1070580189 /nfs/dbraw/zinc/58/01/89/1070580189.db2.gz UXADRESSZBXFKE-JIMOISOXSA-N -1 3 317.393 2.036 20 10 DECDHM CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C1(C)C ZINC001605025397 1070580479 /nfs/dbraw/zinc/58/04/79/1070580479.db2.gz UXADRESSZBXFKE-OASPWFOLSA-N -1 3 317.393 2.036 20 10 DECDHM C[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1[O-] ZINC001607460682 1071448687 /nfs/dbraw/zinc/44/86/87/1071448687.db2.gz BNZKIFANMQMIQX-NSHDSACASA-N -1 3 314.341 2.380 20 10 DECDHM Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607500605 1071462395 /nfs/dbraw/zinc/46/23/95/1071462395.db2.gz VKDGZPGOOYEKQK-NSHDSACASA-N -1 3 303.362 2.405 20 10 DECDHM CCOC(=O)C(CC)(CC)CNC(=O)c1cccc(O)c1[O-] ZINC001454522748 1057520157 /nfs/dbraw/zinc/52/01/57/1057520157.db2.gz UHGKPSOQZYTHED-UHFFFAOYSA-N -1 3 309.362 2.197 20 10 DECDHM Cc1ccc(C(N)=O)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC001469615496 1059979276 /nfs/dbraw/zinc/97/92/76/1059979276.db2.gz MAPWOTDFLOHBRH-UHFFFAOYSA-N -1 3 300.314 2.066 20 10 DECDHM COC(=O)c1ccc2c(c1)N(C(=O)c1cccc(O)c1[O-])CC2 ZINC001472341312 1060479487 /nfs/dbraw/zinc/47/94/87/1060479487.db2.gz ACVRESHETZBVKJ-UHFFFAOYSA-N -1 3 313.309 2.087 20 10 DECDHM COc1cc(CNC(=O)NCc2c([O-])cccc2F)ccc1O ZINC001628923761 1078306934 /nfs/dbraw/zinc/30/69/34/1078306934.db2.gz WJAHUHFXNZHTDB-UHFFFAOYSA-N -1 3 320.320 2.245 20 10 DECDHM Cc1cccc([O-])c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001638347362 1078559713 /nfs/dbraw/zinc/55/97/13/1078559713.db2.gz GOFMJIRNWUXHGQ-LLVKDONJSA-N -1 3 301.342 2.473 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1[nH]cnc1C(F)(F)F ZINC001638863163 1078584244 /nfs/dbraw/zinc/58/42/44/1078584244.db2.gz JQOLJACVXYKCDX-UHFFFAOYSA-N -1 3 303.215 2.203 20 10 DECDHM Cn1nc(C2CC2)cc1NC(=O)NCc1c([O-])cccc1F ZINC001351571535 1151577831 /nfs/dbraw/zinc/57/78/31/1151577831.db2.gz LTDZRUZKPDOSOD-UHFFFAOYSA-N -1 3 304.325 2.464 20 10 DECDHM CC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462069 1076631542 /nfs/dbraw/zinc/63/15/42/1076631542.db2.gz ALNILPOQXTVSFD-CJNGLKHVSA-N -1 3 317.393 2.040 20 10 DECDHM CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462070 1076631604 /nfs/dbraw/zinc/63/16/04/1076631604.db2.gz ALNILPOQXTVSFD-CZUORRHYSA-N -1 3 317.393 2.040 20 10 DECDHM CC[C@H]([NH2+]CC1(CC)COC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462827 1076631629 /nfs/dbraw/zinc/63/16/29/1076631629.db2.gz FXBMUSMTSWWOMT-ZDUSSCGKSA-N -1 3 317.393 2.040 20 10 DECDHM CC[C@H]([NH2+]C[C@@H](C)CCOC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464871 1076632466 /nfs/dbraw/zinc/63/24/66/1076632466.db2.gz QSDGRFKTFZEDSG-FZMZJTMJSA-N -1 3 319.409 2.286 20 10 DECDHM CC[C@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465123 1076633435 /nfs/dbraw/zinc/63/34/35/1076633435.db2.gz SPEMQAWVEZLJSQ-BBRMVZONSA-N -1 3 317.393 2.182 20 10 DECDHM [O-]c1c(F)cccc1CN1Cc2ccc(-c3nn[nH]n3)cc2C1 ZINC001593539080 1077019073 /nfs/dbraw/zinc/01/90/73/1077019073.db2.gz RLXOSOVDKFFCDB-UHFFFAOYSA-N 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CCN(CC)C(=O)CN(C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184670165 402290379 /nfs/dbraw/zinc/29/03/79/402290379.db2.gz FSQZRAFXIDIBNS-UHFFFAOYSA-N -1 3 314.813 2.354 20 10 DECDHM COc1cc(Cl)cc(CN2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000187533582 402503695 /nfs/dbraw/zinc/50/36/95/402503695.db2.gz LCAOMXIIBPRZNG-OAHLLOKOSA-N -1 3 313.781 2.046 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000175628467 402822489 /nfs/dbraw/zinc/82/24/89/402822489.db2.gz YPYLKBDZGYSCOU-LBPRGKRZSA-N -1 3 323.364 2.319 20 10 DECDHM COC(=O)CCCCCCCNC(=O)c1cccc(O)c1[O-] ZINC000279345261 402932599 /nfs/dbraw/zinc/93/25/99/402932599.db2.gz RKYHNLHGVQOBHL-UHFFFAOYSA-N -1 3 309.362 2.341 20 10 DECDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCCO1 ZINC000281166998 403059866 /nfs/dbraw/zinc/05/98/66/403059866.db2.gz GOVBVZLSAMKQAT-GFCCVEGCSA-N -1 3 310.350 2.310 20 10 DECDHM C[C@H]1C[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277437478 403217381 /nfs/dbraw/zinc/21/73/81/403217381.db2.gz 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ZINC000822102478 607281795 /nfs/dbraw/zinc/28/17/95/607281795.db2.gz AKPVLNNBWGUSOY-UHFFFAOYSA-N -1 3 324.344 2.202 20 10 DECDHM c1csc(SCCCNc2cnccc2-c2nnn[n-]2)n1 ZINC000826512956 607842366 /nfs/dbraw/zinc/84/23/66/607842366.db2.gz VGGPLXVINBKYIS-UHFFFAOYSA-N -1 3 319.419 2.313 20 10 DECDHM c1csc(SCCCNc2cnccc2-c2nn[n-]n2)n1 ZINC000826512956 607842367 /nfs/dbraw/zinc/84/23/67/607842367.db2.gz VGGPLXVINBKYIS-UHFFFAOYSA-N -1 3 319.419 2.313 20 10 DECDHM CCn1ccnc1[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922742320 636372054 /nfs/dbraw/zinc/37/20/54/636372054.db2.gz SYBFPAUVDBMMEG-JTQLQIEISA-N -1 3 306.341 2.308 20 10 DECDHM Cc1cccc2nc(CNC(=O)c3cccc(O)c3[O-])n(C)c21 ZINC000187191440 637238907 /nfs/dbraw/zinc/23/89/07/637238907.db2.gz CCISJEISVIQYSR-UHFFFAOYSA-N -1 3 311.341 2.223 20 10 DECDHM COCC(C)(C)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895053554 637426536 /nfs/dbraw/zinc/42/65/36/637426536.db2.gz NJYNXIUWNYNICN-UHFFFAOYSA-N -1 3 314.376 2.213 20 10 DECDHM CSCc1nnc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])[n-]1 ZINC000895818666 638214562 /nfs/dbraw/zinc/21/45/62/638214562.db2.gz SEODZIWLHXJSLN-UHFFFAOYSA-N -1 3 316.789 2.456 20 10 DECDHM [O-]c1cccc(F)c1CNc1cc(N2CCSCC2)ncn1 ZINC000895833546 638225085 /nfs/dbraw/zinc/22/50/85/638225085.db2.gz ZKCDGSYSJLCRER-UHFFFAOYSA-N -1 3 320.393 2.487 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc(NC(N)=O)c2)c([O-])c1O ZINC000751534380 639092065 /nfs/dbraw/zinc/09/20/65/639092065.db2.gz YMNYXPKQNRJNRQ-UHFFFAOYSA-N -1 3 301.302 2.149 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898194387 641056471 /nfs/dbraw/zinc/05/64/71/641056471.db2.gz YKDMKSGSGWZKQK-JQWIXIFHSA-N -1 3 304.159 2.059 20 10 DECDHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(N(C)C)cc1 ZINC000773088116 641727432 /nfs/dbraw/zinc/72/74/32/641727432.db2.gz MOTJKOYTFFCGQR-SNVBAGLBSA-N -1 3 323.418 2.397 20 10 DECDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3C)o1 ZINC000773292864 641754743 /nfs/dbraw/zinc/75/47/43/641754743.db2.gz RNNJCLRVXMQWBZ-UHFFFAOYSA-N -1 3 320.414 2.449 20 10 DECDHM COc1c([O-])c(CN(C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000775059968 642002185 /nfs/dbraw/zinc/00/21/85/642002185.db2.gz CFPBXESXVBSNMI-UHFFFAOYSA-N -1 3 303.318 2.336 20 10 DECDHM CC(C)(C)NC(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000775982629 642119061 /nfs/dbraw/zinc/11/90/61/642119061.db2.gz BTZDGESUDDYSHQ-UHFFFAOYSA-N -1 3 309.385 2.157 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCn2nccc21 ZINC000923946639 642195440 /nfs/dbraw/zinc/19/54/40/642195440.db2.gz AHMRTCRIFKTUIT-GFCCVEGCSA-N -1 3 304.325 2.062 20 10 DECDHM CC(C)(C)OC(=O)[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000779020854 642457154 /nfs/dbraw/zinc/45/71/54/642457154.db2.gz UKGAHDNXAFCDJU-CQSZACIVSA-N -1 3 311.353 2.074 20 10 DECDHM Cc1cc(Br)c([O-])c(CN(CC(N)=O)C(C)C)c1 ZINC000781895605 642795749 /nfs/dbraw/zinc/79/57/49/642795749.db2.gz WELCBWDFLYZLLA-UHFFFAOYSA-N -1 3 315.211 2.159 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](O)C2)c1 ZINC000781895139 642796223 /nfs/dbraw/zinc/79/62/23/642796223.db2.gz 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SWMMQIDSPNHTLX-UHFFFAOYSA-N -1 3 311.183 2.056 20 10 DECDHM COc1ccc2ccc([O-])c(CN3CCn4c(C)nnc4C3)c2c1 ZINC000732191999 647549510 /nfs/dbraw/zinc/54/95/10/647549510.db2.gz RHFYQVDSOPJKDW-UHFFFAOYSA-N -1 3 324.384 2.470 20 10 DECDHM CCN(CC)c1ccc(CN[C@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819163845 647598491 /nfs/dbraw/zinc/59/84/91/647598491.db2.gz NRHFBAXRQAHKAK-INIZCTEOSA-N -1 3 316.405 2.182 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(-n3nccn3)cc2)c([O-])c1O ZINC000179455957 648369198 /nfs/dbraw/zinc/36/91/98/648369198.db2.gz RPCBPMDBPVQDCL-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM COC(=O)CN(Cc1ccc(Br)cc1[O-])C1CC1 ZINC000824920452 648672647 /nfs/dbraw/zinc/67/26/47/648672647.db2.gz NXSTXIMMHSIYMS-UHFFFAOYSA-N -1 3 314.179 2.292 20 10 DECDHM COC[C@]1(CO)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000825158734 648714067 /nfs/dbraw/zinc/71/40/67/648714067.db2.gz XTAUADIFZOISLA-CQSZACIVSA-N -1 3 303.761 2.016 20 10 DECDHM [O-]c1cc(Br)ccc1CN(CCO)CC(F)F ZINC000825745057 648807876 /nfs/dbraw/zinc/80/78/76/648807876.db2.gz UQBRZTRRMUGNOV-UHFFFAOYSA-N -1 3 310.138 2.214 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cc(=O)[nH]c2c1CCCC2 ZINC000830180234 649405791 /nfs/dbraw/zinc/40/57/91/649405791.db2.gz JORFBJKABFXZGJ-UHFFFAOYSA-N -1 3 316.332 2.441 20 10 DECDHM CN(c1ccccc1)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000856092117 651840229 /nfs/dbraw/zinc/84/02/29/651840229.db2.gz OINFDWVYSXRIAF-AWEZNQCLSA-N -1 3 312.369 2.449 20 10 DECDHM C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1CO ZINC000857061081 652043664 /nfs/dbraw/zinc/04/36/64/652043664.db2.gz JKISHQPGNKVEGE-ONGXEEELSA-N -1 3 314.769 2.404 20 10 DECDHM CC(C)c1nnc(CCC(=O)NCc2c([O-])cccc2F)o1 ZINC000928705503 693830360 /nfs/dbraw/zinc/83/03/60/693830360.db2.gz KQAWJHHTCXSWNQ-UHFFFAOYSA-N -1 3 307.325 2.287 20 10 DECDHM Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)c1[O-] ZINC000874054337 689349361 /nfs/dbraw/zinc/34/93/61/689349361.db2.gz JXZSHSZCDDUIBG-JLIMDTESSA-N -1 3 314.179 2.416 20 10 DECDHM [O-]c1c(CN2CCC(O[C@H]3CCOC3)CC2)ccc(F)c1F ZINC000876784175 689936079 /nfs/dbraw/zinc/93/60/79/689936079.db2.gz ZLFGSFCCJHUHON-ZDUSSCGKSA-N -1 3 313.344 2.440 20 10 DECDHM CCOCCO[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876815456 689945407 /nfs/dbraw/zinc/94/54/07/689945407.db2.gz YELNAGOFXWEMOT-LBPRGKRZSA-N -1 3 301.333 2.298 20 10 DECDHM COC(=O)[C@H]1CSCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877593349 690161448 /nfs/dbraw/zinc/16/14/48/690161448.db2.gz STKBIQQLQFDWPZ-SNVBAGLBSA-N -1 3 317.357 2.008 20 10 DECDHM C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1c([O-])cccc1F ZINC000886547049 692106772 /nfs/dbraw/zinc/10/67/72/692106772.db2.gz DMNOXDQDKQPWFA-SNVBAGLBSA-N -1 3 303.399 2.395 20 10 DECDHM O=C1CCN(Cc2c([O-])cccc2Br)C[C@H]1F ZINC001140101564 776794410 /nfs/dbraw/zinc/79/44/10/776794410.db2.gz XYKGVVTXKZLEBF-SNVBAGLBSA-N -1 3 302.143 2.268 20 10 DECDHM COCC1CN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298329 790846186 /nfs/dbraw/zinc/84/61/86/790846186.db2.gz BMWARWYAPGXOFS-UHFFFAOYSA-N -1 3 304.159 2.372 20 10 DECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cncnc1 ZINC001147440557 791547159 /nfs/dbraw/zinc/54/71/59/791547159.db2.gz XBWKDNHCKFWKFI-UHFFFAOYSA-N -1 3 314.732 2.314 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1Cc1ccccc1 ZINC001148218637 791712661 /nfs/dbraw/zinc/71/26/61/791712661.db2.gz JBYYIALWQLPQOL-CQSZACIVSA-N -1 3 313.353 2.182 20 10 DECDHM O=C(Nc1ccc2c(c1)C(=O)N(C1CC1)C2)c1cccc(O)c1[O-] ZINC001148218903 791713206 /nfs/dbraw/zinc/71/32/06/791713206.db2.gz NDVOFITXMGPKSZ-UHFFFAOYSA-N -1 3 324.336 2.468 20 10 DECDHM COc1ncccc1[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC001148224847 791714401 /nfs/dbraw/zinc/71/44/01/791714401.db2.gz WVYBYAXZQLMNOE-AWEZNQCLSA-N -1 3 314.341 2.383 20 10 DECDHM O=C(NCc1cc(F)c(F)c(F)c1)c1cc(O)c([O-])c(O)c1 ZINC001148586090 791777397 /nfs/dbraw/zinc/77/73/97/791777397.db2.gz IHCIDZDLWQBXDB-UHFFFAOYSA-N -1 3 313.231 2.151 20 10 DECDHM O=C(Nc1cccc2nsnc21)c1cc(O)c([O-])c(O)c1 ZINC001148582114 791777554 /nfs/dbraw/zinc/77/75/54/791777554.db2.gz XITGHPRYDUTFBK-UHFFFAOYSA-N -1 3 303.299 2.060 20 10 DECDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)cc2snnc21 ZINC001148586041 791777798 /nfs/dbraw/zinc/77/77/98/791777798.db2.gz FYUVRHCXBWLEHL-UHFFFAOYSA-N -1 3 317.326 2.369 20 10 DECDHM C[C@@H]1C(=O)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C12CCCC2 ZINC001148588304 791778462 /nfs/dbraw/zinc/77/84/62/791778462.db2.gz RTRODWJQOROPJZ-SNVBAGLBSA-N -1 3 319.357 2.167 20 10 DECDHM COc1ccc2c(c1)[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)CC2 ZINC001148589837 791778575 /nfs/dbraw/zinc/77/85/75/791778575.db2.gz NHCVNPFQKRZYEW-ZDUSSCGKSA-N -1 3 315.325 2.229 20 10 DECDHM COC(=O)CCC1(NC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC001178789049 794993839 /nfs/dbraw/zinc/99/38/39/794993839.db2.gz CCISUYGILCBDBM-UHFFFAOYSA-N -1 3 321.373 2.484 20 10 DECDHM COC(=O)[C@@H](CNC(=O)c1cccc(O)c1[O-])CC1CCCC1 ZINC001180206693 795256466 /nfs/dbraw/zinc/25/64/66/795256466.db2.gz PEEWJHACQKBZBA-GFCCVEGCSA-N -1 3 321.373 2.197 20 10 DECDHM O=C(N[C@@H]1CCCN(Cc2c([O-])cccc2F)C1)N1CCCC1 ZINC001137841317 796145329 /nfs/dbraw/zinc/14/53/29/796145329.db2.gz ACADRTAGMSDUQT-CYBMUJFWSA-N -1 3 321.396 2.301 20 10 DECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@@]12CCOC2 ZINC001139133799 796332437 /nfs/dbraw/zinc/33/24/37/796332437.db2.gz QUDLXZRSWTXWLK-KRWDZBQOSA-N -1 3 301.342 2.172 20 10 DECDHM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1cc(Cl)ccc1[O-] ZINC001203658372 796511393 /nfs/dbraw/zinc/51/13/93/796511393.db2.gz SSFOIZDKUIDBMO-AWEZNQCLSA-N -1 3 311.765 2.142 20 10 DECDHM CC(=O)c1cccc(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001195137293 797840848 /nfs/dbraw/zinc/84/08/48/797840848.db2.gz OQXGNODULUUFSY-UHFFFAOYSA-N -1 3 323.345 2.212 20 10 DECDHM CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2n[n-]nc21 ZINC001157102142 798144053 /nfs/dbraw/zinc/14/40/53/798144053.db2.gz JBNOPTOXFCKMQW-UHFFFAOYSA-N -1 3 317.345 2.079 20 10 DECDHM Cc1cc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)ccc1N ZINC000161059568 798473784 /nfs/dbraw/zinc/47/37/84/798473784.db2.gz CLPQYSRTUAAAKH-UHFFFAOYSA-N -1 3 305.403 2.444 20 10 DECDHM COc1ncnc2c1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203657131 800100824 /nfs/dbraw/zinc/10/08/24/800100824.db2.gz FQOOIYOPYYUESX-UHFFFAOYSA-N -1 3 305.765 2.403 20 10 DECDHM O=C(C1CCC1)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232262728 801831220 /nfs/dbraw/zinc/83/12/20/801831220.db2.gz NVGLFHSTTOZFSE-UHFFFAOYSA-N -1 3 324.808 2.196 20 10 DECDHM [O-]c1cc(O)c(CN2CCN3CC(F)(F)C[C@H]3C2)cc1Cl ZINC001232262845 801833298 /nfs/dbraw/zinc/83/32/98/801833298.db2.gz SSHVORMOPJPCLK-JTQLQIEISA-N -1 3 318.751 2.276 20 10 DECDHM CCOC(=O)NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079810 802022535 /nfs/dbraw/zinc/02/25/35/802022535.db2.gz LDFOWQNSIUQSLS-UHFFFAOYSA-N -1 3 314.332 2.381 20 10 DECDHM COc1cc([O-])c(CN2CCCOCC2)cc1Br ZINC001233135225 802033336 /nfs/dbraw/zinc/03/33/36/802033336.db2.gz OXPNXTRVNUKRJJ-UHFFFAOYSA-N -1 3 316.195 2.386 20 10 DECDHM CO[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC000193111360 802439719 /nfs/dbraw/zinc/43/97/19/802439719.db2.gz NDELKBFRABKNNM-CQSZACIVSA-N -1 3 305.305 2.354 20 10 DECDHM COc1ccc(C[NH2+]Cc2ccc(OCC(=O)[O-])cc2)c([O-])c1 ZINC001599573201 998399402 /nfs/dbraw/zinc/39/94/02/998399402.db2.gz UMPVVDOTOAPPEH-UHFFFAOYSA-N -1 3 317.341 2.154 20 10 DECDHM CC(C)SCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603376715 1069958534 /nfs/dbraw/zinc/95/85/34/1069958534.db2.gz DQCNKYWKCYRQOM-SNVBAGLBSA-N -1 3 307.423 2.365 20 10 DECDHM C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603851265 1070122016 /nfs/dbraw/zinc/12/20/16/1070122016.db2.gz WGHCEJLFKNVYGA-GRYCIOLGSA-N -1 3 317.393 2.038 20 10 DECDHM CC[C@H](C[C@H](C)O)[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604014494 1070176382 /nfs/dbraw/zinc/17/63/82/1070176382.db2.gz ABAGMXUMMGIBCT-MISXGVKJSA-N -1 3 319.409 2.163 20 10 DECDHM CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2cccc(O)c2)c([O-])c1 ZINC001605691946 1070846175 /nfs/dbraw/zinc/84/61/75/1070846175.db2.gz SMPDHCFNJDLGMR-INIZCTEOSA-N -1 3 317.341 2.412 20 10 DECDHM CCOC(=O)[C@]1(C)CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001462516765 1058842250 /nfs/dbraw/zinc/84/22/50/1058842250.db2.gz DUGQCKQAECFMFU-HNNXBMFYSA-N -1 3 313.781 2.200 20 10 DECDHM COC(=O)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001471975422 1060354094 /nfs/dbraw/zinc/35/40/94/1060354094.db2.gz ZMIMVTHGOZAAEX-UHFFFAOYSA-N -1 3 303.289 2.248 20 10 DECDHM NC(=O)c1ccc(F)c(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001622919492 1078195519 /nfs/dbraw/zinc/19/55/19/1078195519.db2.gz NZXDIEQGZFLTDP-UHFFFAOYSA-N -1 3 321.283 2.091 20 10 DECDHM COc1cccc(CNC(=O)c2ccc(C(C)=O)c([O-])c2)c1O ZINC001636061798 1078467778 /nfs/dbraw/zinc/46/77/78/1078467778.db2.gz WXUTVPPRPJEGOK-UHFFFAOYSA-N -1 3 315.325 2.239 20 10 DECDHM NC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])ccc1Cl ZINC001588251279 1076437688 /nfs/dbraw/zinc/43/76/88/1076437688.db2.gz WTKDTZCRPUGPRP-UHFFFAOYSA-N -1 3 306.705 2.102 20 10 DECDHM C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962914 1076536946 /nfs/dbraw/zinc/53/69/46/1076536946.db2.gz VFIAUTCVZMGHEW-DTWKUNHWSA-N -1 3 309.320 2.268 20 10 DECDHM CC[C@@H]([NH2+]CCCSC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464799 1076632409 /nfs/dbraw/zinc/63/24/09/1076632409.db2.gz FBRCINFUYORPFK-GFCCVEGCSA-N -1 3 307.423 2.366 20 10 DECDHM CC[C@H]([NH2+]CCc1ccoc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470625 1076635186 /nfs/dbraw/zinc/63/51/86/1076635186.db2.gz ROZPKRZDJRSSAD-AWEZNQCLSA-N -1 3 313.361 2.449 20 10 DECDHM Cc1ccc(CC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cn1 ZINC001592152238 1076859628 /nfs/dbraw/zinc/85/96/28/1076859628.db2.gz SYMUJJOEYYONND-GFCCVEGCSA-N -1 3 324.388 2.169 20 10 DECDHM Cc1ccc(CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cn1 ZINC001592152239 1076860235 /nfs/dbraw/zinc/86/02/35/1076860235.db2.gz SYMUJJOEYYONND-LBPRGKRZSA-N -1 3 324.388 2.169 20 10 DECDHM COc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])cc1 ZINC001610325771 1078004090 /nfs/dbraw/zinc/00/40/90/1078004090.db2.gz UIVNTCQKMLUQDZ-OAHLLOKOSA-N -1 3 305.305 2.455 20 10 DECDHM Cc1nccn1CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001610565204 1078042760 /nfs/dbraw/zinc/04/27/60/1078042760.db2.gz JYBRLISGEOZOKJ-UHFFFAOYSA-N -1 3 323.780 2.137 20 10 DECDHM Cc1nccn1CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001610565204 1078042764 /nfs/dbraw/zinc/04/27/64/1078042764.db2.gz JYBRLISGEOZOKJ-UHFFFAOYSA-N -1 3 323.780 2.137 20 10 DECDHM Cc1cc(CO)cc(C)c1CNC(=O)c1cccc(O)c1[O-] ZINC001652199341 1079858410 /nfs/dbraw/zinc/85/84/10/1079858410.db2.gz QITACFKLVSSKPQ-UHFFFAOYSA-N -1 3 301.342 2.137 20 10 DECDHM NC(=O)[C@@H](F)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001665576333 1081042620 /nfs/dbraw/zinc/04/26/20/1081042620.db2.gz DSCDIDMHSMPOJA-LBPRGKRZSA-N -1 3 318.751 2.220 20 10 DECDHM CNC(=O)[C@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001274149086 1093821021 /nfs/dbraw/zinc/82/10/21/1093821021.db2.gz JGRBLIPXHYBOLI-LLVKDONJSA-N -1 3 310.344 2.019 20 10 DECDHM COc1cc([O-])c(CN(C)[C@@H]2CCOC2)c(Br)c1 ZINC001237073582 1138498298 /nfs/dbraw/zinc/49/82/98/1138498298.db2.gz SVWQEFGGJMIRTA-SECBINFHSA-N -1 3 316.195 2.384 20 10 DECDHM COC(=O)C1(CNC(=O)NCc2c([O-])cccc2F)CCCC1 ZINC001341293688 1143579689 /nfs/dbraw/zinc/57/96/89/1143579689.db2.gz BHNAAAPCMPUOQA-UHFFFAOYSA-N -1 3 324.352 2.064 20 10 DECDHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1O ZINC001302530134 1147312940 /nfs/dbraw/zinc/31/29/40/1147312940.db2.gz BBVIAKWGAPVHBP-SECBINFHSA-N -1 3 301.298 2.318 20 10 DECDHM O=C(NCc1cccc2nsnc21)c1cccc(O)c1[O-] ZINC001303566117 1147330968 /nfs/dbraw/zinc/33/09/68/1147330968.db2.gz WVAYYQTVVALNMN-UHFFFAOYSA-N -1 3 301.327 2.033 20 10 DECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCCO1 ZINC000264705974 291080875 /nfs/dbraw/zinc/08/08/75/291080875.db2.gz LCYCYNDBXLCWEC-CYBMUJFWSA-N -1 3 313.781 2.200 20 10 DECDHM Cc1ccc(C(=O)NCc2nnc(C(C)(C)C)s2)c([O-])c1O ZINC000272717715 130057151 /nfs/dbraw/zinc/05/71/51/130057151.db2.gz GLAYACDFKDDRGM-UHFFFAOYSA-N -1 3 321.402 2.485 20 10 DECDHM Cc1ccc(C(=O)N2CCN(C3CCCC3)CC2)c([O-])c1O ZINC000177670091 402424965 /nfs/dbraw/zinc/42/49/65/402424965.db2.gz VVQWMFWXNUYXLW-UHFFFAOYSA-N -1 3 304.390 2.107 20 10 DECDHM O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179556432 402594282 /nfs/dbraw/zinc/59/42/82/402594282.db2.gz UGRJCBPPFRNLKP-UHFFFAOYSA-N -1 3 314.360 2.489 20 10 DECDHM COc1cc(Cl)cc(CN2CC(=O)N(CC3CC3)C2)c1[O-] ZINC000279400384 402938797 /nfs/dbraw/zinc/93/87/97/402938797.db2.gz KYILUUMUYUXWQN-UHFFFAOYSA-N -1 3 310.781 2.066 20 10 DECDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])C[C@@H]1O ZINC000280511837 403007794 /nfs/dbraw/zinc/00/77/94/403007794.db2.gz QHUWAUXMBKZBRI-LBPRGKRZSA-N -1 3 300.196 2.357 20 10 DECDHM O=C(CNCc1cc(Cl)cc(Cl)c1[O-])NCC(F)F ZINC000280182763 402972954 /nfs/dbraw/zinc/97/29/54/402972954.db2.gz CLOKYKVRJAIZLK-UHFFFAOYSA-N -1 3 313.131 2.170 20 10 DECDHM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])C(=O)NCCF ZINC000282573160 403156691 /nfs/dbraw/zinc/15/66/91/403156691.db2.gz FOZWDZJCPWFOPU-ZETCQYMHSA-N -1 3 309.168 2.263 20 10 DECDHM C[C@@H]1C[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277437482 403217583 /nfs/dbraw/zinc/21/75/83/403217583.db2.gz SCRJLXWYKXWMBL-ZJUUUORDSA-N -1 3 308.765 2.466 20 10 DECDHM CN(C)c1ccc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000277163491 403197786 /nfs/dbraw/zinc/19/77/86/403197786.db2.gz DJGKWJZLTOGYQC-CQSZACIVSA-N -1 3 322.405 2.027 20 10 DECDHM Cn1ccc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000271001573 403251876 /nfs/dbraw/zinc/25/18/76/403251876.db2.gz LKTZSUVIBUBOBY-MRXNPFEDSA-N -1 3 301.390 2.307 20 10 DECDHM COC(=O)[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000271080375 403261980 /nfs/dbraw/zinc/26/19/80/403261980.db2.gz INJXTAFKYDSRIA-VIFPVBQESA-N -1 3 314.179 2.150 20 10 DECDHM CC(C)(C)S(=O)(=O)CCNCc1cc(Cl)c(F)cc1[O-] ZINC000293717721 403546390 /nfs/dbraw/zinc/54/63/90/403546390.db2.gz VHCDKQCWBCVBLB-UHFFFAOYSA-N -1 3 323.817 2.488 20 10 DECDHM CC[C@H](COCC(F)(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000295286594 403832435 /nfs/dbraw/zinc/83/24/35/403832435.db2.gz AIQCJSBXNHRBGR-MRVPVSSYSA-N -1 3 307.268 2.185 20 10 DECDHM CC[C@H](NCCS(=O)(=O)C(C)C)c1ccc(F)cc1[O-] ZINC000290502311 404197555 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ZINC001179920940 795211911 /nfs/dbraw/zinc/21/19/11/795211911.db2.gz XUSIMACFCRFGJW-CQSZACIVSA-N -1 3 311.353 2.074 20 10 DECDHM CC1(C)CN(Cc2cc(F)c(F)cc2[O-])C[C@@]2(CCOC2)O1 ZINC001181174712 795434567 /nfs/dbraw/zinc/43/45/67/795434567.db2.gz CKOXAZXDPKTCQK-MRXNPFEDSA-N -1 3 313.344 2.440 20 10 DECDHM CCOC[C@H]1CN(Cc2c([O-])cccc2F)Cc2cnn(C)c21 ZINC001137834713 796143642 /nfs/dbraw/zinc/14/36/42/796143642.db2.gz QMEGGTXZIMQOCQ-CYBMUJFWSA-N -1 3 319.380 2.401 20 10 DECDHM Cc1cc(C)nc(N2CCN(Cc3c([O-])cccc3F)CC2)n1 ZINC001137837863 796144167 /nfs/dbraw/zinc/14/41/67/796144167.db2.gz XKRVZZMCTUGOOC-UHFFFAOYSA-N -1 3 316.380 2.260 20 10 DECDHM C[S@](=O)Cc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001138116306 796166312 /nfs/dbraw/zinc/16/63/12/796166312.db2.gz QYNADUSHUFKUJD-NRFANRHFSA-N -1 3 305.355 2.229 20 10 DECDHM COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1c([O-])cc(F)cc1F)C2 ZINC001140584566 796541778 /nfs/dbraw/zinc/54/17/78/796541778.db2.gz WXRNDORJEBLEDM-UMNHJUIQSA-N -1 3 311.328 2.444 20 10 DECDHM COc1ccc(CNC(=O)c2c([O-])cccc2OC)c(O)c1 ZINC001155575300 797794483 /nfs/dbraw/zinc/79/44/83/797794483.db2.gz STXLCSLDOQOOOR-UHFFFAOYSA-N -1 3 303.314 2.045 20 10 DECDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc2nccnc2c1 ZINC001198105177 798284660 /nfs/dbraw/zinc/28/46/60/798284660.db2.gz HHVISLUJYPDHLK-UHFFFAOYSA-N -1 3 301.327 2.136 20 10 DECDHM [O-]c1cc(O)c(CN2CCN(c3cccnc3)CC2)cc1Cl ZINC001232260409 801830456 /nfs/dbraw/zinc/83/04/56/801830456.db2.gz PSVFTUUIVXZOGX-UHFFFAOYSA-N -1 3 319.792 2.468 20 10 DECDHM Cn1cc2cccc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)c2n1 ZINC001215325361 801835906 /nfs/dbraw/zinc/83/59/06/801835906.db2.gz OLXGYFJIGLNHPI-UHFFFAOYSA-N -1 3 324.296 2.407 20 10 DECDHM Cc1ccnc(O[C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079422 802023640 /nfs/dbraw/zinc/02/36/40/802023640.db2.gz BKSWRHCMEZEADT-GFCCVEGCSA-N -1 3 321.327 2.422 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1COC[C@H]1F ZINC001227937113 803297615 /nfs/dbraw/zinc/29/76/15/803297615.db2.gz BSINJEOPGGDFEK-TZMCWYRMSA-N -1 3 318.300 2.445 20 10 DECDHM COc1cc(Br)cc(C[NH2+][C@@H](C)CC(=O)[O-])c1[O-] ZINC001594049934 957970114 /nfs/dbraw/zinc/97/01/14/957970114.db2.gz DZKCULSETWWDOS-ZETCQYMHSA-N -1 3 318.167 2.116 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001602907058 1069790902 /nfs/dbraw/zinc/79/09/02/1069790902.db2.gz SNPAFZFBELLXHO-FMIVXFBMSA-N -1 3 320.356 2.328 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001602907058 1069790916 /nfs/dbraw/zinc/79/09/16/1069790916.db2.gz SNPAFZFBELLXHO-FMIVXFBMSA-N -1 3 320.356 2.328 20 10 DECDHM C[C@@H]([NH2+]C[C@H]1CCCS1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603655789 1070024020 /nfs/dbraw/zinc/02/40/20/1070024020.db2.gz ARJWKJSZCFONDV-NXEZZACHSA-N -1 3 305.407 2.119 20 10 DECDHM C[C@](CC(=O)[O-])([NH2+]Cc1cc(F)ccc1[O-])c1ccncc1 ZINC001604089731 1070206626 /nfs/dbraw/zinc/20/66/26/1070206626.db2.gz GTVKQEOEECNMRM-MRXNPFEDSA-N -1 3 304.321 2.406 20 10 DECDHM CN1CCCc2cc(CNc3ccc(-c4nnn[n-]4)cn3)ccc21 ZINC001604863238 1070517571 /nfs/dbraw/zinc/51/75/71/1070517571.db2.gz XJQFHSSHCFFXHA-UHFFFAOYSA-N -1 3 321.388 2.256 20 10 DECDHM CN1CCCc2cc(CNc3ccc(-c4nn[n-]n4)cn3)ccc21 ZINC001604863238 1070517584 /nfs/dbraw/zinc/51/75/84/1070517584.db2.gz XJQFHSSHCFFXHA-UHFFFAOYSA-N -1 3 321.388 2.256 20 10 DECDHM O=C(Nc1ccccc1[C@@H]1CCC(=O)N1)c1cccc(O)c1[O-] ZINC001630859422 1078351656 /nfs/dbraw/zinc/35/16/56/1078351656.db2.gz ZCLHTUJSKSXQEN-ZDUSSCGKSA-N -1 3 312.325 2.301 20 10 DECDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])c(C)c1OC ZINC001635538520 1078453352 /nfs/dbraw/zinc/45/33/52/1078453352.db2.gz HEMAWDMBZBUHIN-UHFFFAOYSA-N -1 3 317.341 2.353 20 10 DECDHM O=C(Nc1cc2oc(=O)[nH]c2cc1F)c1cccc(O)c1[O-] ZINC001641165892 1078696666 /nfs/dbraw/zinc/69/66/66/1078696666.db2.gz XVWXJLKPAXMUTP-UHFFFAOYSA-N -1 3 304.233 2.336 20 10 DECDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])cnc1OC ZINC001641623441 1078721455 /nfs/dbraw/zinc/72/14/55/1078721455.db2.gz JPEDKEUFMUNQKR-UHFFFAOYSA-N -1 3 304.302 2.071 20 10 DECDHM CN(C)C(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001543643383 1072501841 /nfs/dbraw/zinc/50/18/41/1072501841.db2.gz ASFUPPHYPXMSNU-UHFFFAOYSA-N -1 3 300.314 2.052 20 10 DECDHM C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cccc(O)c1[O-] ZINC001566701068 1075320694 /nfs/dbraw/zinc/32/06/94/1075320694.db2.gz SUPKVDQQWAGVJL-CABZTGNLSA-N -1 3 307.371 2.401 20 10 DECDHM C[C@@H](NC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1O ZINC001580309146 1075898817 /nfs/dbraw/zinc/89/88/17/1075898817.db2.gz MGSUZORAHGNPNN-MRVPVSSYSA-N -1 3 315.358 2.125 20 10 DECDHM C[C@@H](NC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1O ZINC001580309146 1075898823 /nfs/dbraw/zinc/89/88/23/1075898823.db2.gz MGSUZORAHGNPNN-MRVPVSSYSA-N -1 3 315.358 2.125 20 10 DECDHM CC(C)[C@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C(C)(C)O ZINC001589974169 1076541068 /nfs/dbraw/zinc/54/10/68/1076541068.db2.gz PZHMQQAMOLYWTK-YGRLFVJLSA-N -1 3 319.409 2.018 20 10 DECDHM CC[C@@H]([NH2+][C@H](C)CSC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590461344 1076630752 /nfs/dbraw/zinc/63/07/52/1076630752.db2.gz BEYCZQQLOOLVFX-BXKDBHETSA-N -1 3 307.423 2.365 20 10 DECDHM CCOCCCC[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590811227 1076680109 /nfs/dbraw/zinc/68/01/09/1076680109.db2.gz RJCBNISZRTYXRS-AWEZNQCLSA-N -1 3 319.409 2.430 20 10 DECDHM C[C@H](NC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1O ZINC001591769379 1076780883 /nfs/dbraw/zinc/78/08/83/1076780883.db2.gz MGSUZORAHGNPNN-QMMMGPOBSA-N -1 3 315.358 2.125 20 10 DECDHM C[C@H](NC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1O ZINC001591769379 1076780887 /nfs/dbraw/zinc/78/08/87/1076780887.db2.gz MGSUZORAHGNPNN-QMMMGPOBSA-N -1 3 315.358 2.125 20 10 DECDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)NCc1ccccc1O ZINC001591840327 1076791343 /nfs/dbraw/zinc/79/13/43/1076791343.db2.gz VXWFVDYYWSJFAX-UHFFFAOYSA-N -1 3 323.356 2.119 20 10 DECDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)NCc1ccccc1O ZINC001591840327 1076791348 /nfs/dbraw/zinc/79/13/48/1076791348.db2.gz VXWFVDYYWSJFAX-UHFFFAOYSA-N -1 3 323.356 2.119 20 10 DECDHM COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001598870567 1077114183 /nfs/dbraw/zinc/11/41/83/1077114183.db2.gz DBELMFCHAGPYPJ-LOWVWBTDSA-N -1 3 321.373 2.473 20 10 DECDHM COC(=O)c1cnc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC001651095843 1079788597 /nfs/dbraw/zinc/78/85/97/1079788597.db2.gz FQKLKDVAKGUHKA-UHFFFAOYSA-N -1 3 313.316 2.090 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccnn1CC(F)(F)F ZINC001652298729 1079865878 /nfs/dbraw/zinc/86/58/78/1079865878.db2.gz PBZPFVRVHFKYPB-UHFFFAOYSA-N -1 3 317.242 2.220 20 10 DECDHM Cn1cc([C@H](CO)NCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001657716229 1080183284 /nfs/dbraw/zinc/18/32/84/1080183284.db2.gz KZGYNOUBTJGOJQ-LBPRGKRZSA-N -1 3 316.188 2.256 20 10 DECDHM Cc1cccc(CS(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001671691426 1081533648 /nfs/dbraw/zinc/53/36/48/1081533648.db2.gz NEWVPZQZYWJPQT-UHFFFAOYSA-N -1 3 309.362 2.459 20 10 DECDHM [O-]c1ccc(F)c(F)c1CN1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001276470803 1083458425 /nfs/dbraw/zinc/45/84/25/1083458425.db2.gz SPDIUCUXDDJHIA-UHFFFAOYSA-N -1 3 319.355 2.316 20 10 DECDHM [O-]c1c(F)cccc1CN1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001276537720 1083485337 /nfs/dbraw/zinc/48/53/37/1083485337.db2.gz MCWDQXIEZGDZJX-UHFFFAOYSA-N -1 3 301.365 2.320 20 10 DECDHM C[C@@H]1[C@H](CO)CCN1Cc1cc(Br)cc(F)c1[O-] ZINC001235057794 1084292196 /nfs/dbraw/zinc/29/21/96/1084292196.db2.gz SYCRNSGKNOPDKV-BDAKNGLRSA-N -1 3 318.186 2.497 20 10 DECDHM CN(c1cccc([O-])c1F)S(=O)(=O)Cc1ccc(N)cc1 ZINC001212549523 1086532178 /nfs/dbraw/zinc/53/21/78/1086532178.db2.gz QPOVXCIPISRVHC-UHFFFAOYSA-N -1 3 310.350 2.080 20 10 DECDHM [O-]c1c(I)cccc1CN1C[C@@H]2C[C@@H]2C1 ZINC001237778670 1138786552 /nfs/dbraw/zinc/78/65/52/1138786552.db2.gz ZEICSHDYVSTYOO-AOOOYVTPSA-N -1 3 315.154 2.449 20 10 DECDHM CC(=O)N[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237936063 1138811790 /nfs/dbraw/zinc/81/17/90/1138811790.db2.gz IUFILABZQQOIAX-LLVKDONJSA-N -1 3 300.761 2.285 20 10 DECDHM Cc1cc(CN2CC[C@@H](O)[C@H](F)C2)c([O-])cc1Br ZINC001250120604 1142084457 /nfs/dbraw/zinc/08/44/57/1142084457.db2.gz KKDNITDQBVFQSB-VXGBXAGGSA-N -1 3 318.186 2.368 20 10 DECDHM CN(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC001259356475 1144089936 /nfs/dbraw/zinc/08/99/36/1144089936.db2.gz DHKHBJLEBIHPSU-UHFFFAOYSA-N -1 3 318.398 2.488 20 10 DECDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NC(C)(C)C ZINC000273361967 130110943 /nfs/dbraw/zinc/11/09/43/130110943.db2.gz APHPNMLZUSAUTA-VHSXEESVSA-N -1 3 309.366 2.254 20 10 DECDHM C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273546777 130135091 /nfs/dbraw/zinc/13/50/91/130135091.db2.gz ZOAPDUGXTKRXKN-RDDDGLTNSA-N -1 3 308.256 2.264 20 10 DECDHM Cc1cccc(CCCNC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000285788311 131202574 /nfs/dbraw/zinc/20/25/74/131202574.db2.gz CZRVKHCWDRDTHW-UHFFFAOYSA-N -1 3 300.358 2.472 20 10 DECDHM CCN(CC(=O)OC)Cc1cc(Br)ccc1[O-] ZINC000076118553 401783518 /nfs/dbraw/zinc/78/35/18/401783518.db2.gz KGDKUXXQMDQHNY-UHFFFAOYSA-N -1 3 302.168 2.150 20 10 DECDHM COC(=O)CN(CCOC(C)C)Cc1cc(Cl)ccc1[O-] ZINC000109779883 402275753 /nfs/dbraw/zinc/27/57/53/402275753.db2.gz GOVAQXCDDDPNFC-UHFFFAOYSA-N -1 3 315.797 2.446 20 10 DECDHM C[C@H](NCC(F)(F)CO)c1ccc(Br)cc1[O-] ZINC000184713014 402294477 /nfs/dbraw/zinc/29/44/77/402294477.db2.gz LRWYCYDYNGUHSQ-ZETCQYMHSA-N -1 3 310.138 2.433 20 10 DECDHM COc1ccc(OC)c2c1CN(Cc1ccccc1[O-])C[C@@H]2O ZINC000179554252 402594565 /nfs/dbraw/zinc/59/45/65/402594565.db2.gz YSDFBKZSLGHSOY-HNNXBMFYSA-N -1 3 315.369 2.459 20 10 DECDHM COC(=O)[C@@H](C)NCc1cc(Br)cc(C)c1[O-] ZINC000193097547 402764693 /nfs/dbraw/zinc/76/46/93/402764693.db2.gz HXKCTLQZUKNMJX-MRVPVSSYSA-N -1 3 302.168 2.114 20 10 DECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)[N-]c1cnns1 ZINC000192373472 402725190 /nfs/dbraw/zinc/72/51/90/402725190.db2.gz AAKJIUZUDIQIIF-UHFFFAOYSA-N -1 3 305.363 2.035 20 10 DECDHM COc1c([O-])c(CN[C@@H](C)c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000278829168 402875680 /nfs/dbraw/zinc/87/56/80/402875680.db2.gz IMQGYNLFCDGAJK-VIFPVBQESA-N -1 3 320.349 2.202 20 10 DECDHM COC[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCCO1 ZINC000279141215 402908534 /nfs/dbraw/zinc/90/85/34/402908534.db2.gz XKZRKKULJXHNRV-LSDHHAIUSA-N -1 3 311.353 2.018 20 10 DECDHM COC(=O)[C@H](C)N(C)Cc1cc(Br)cc(C)c1[O-] ZINC000280816447 403039770 /nfs/dbraw/zinc/03/97/70/403039770.db2.gz JRBMEZPQGOFLHG-VIFPVBQESA-N -1 3 316.195 2.456 20 10 DECDHM CCOC(=O)[C@@H](CC)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000276217465 403155118 /nfs/dbraw/zinc/15/51/18/403155118.db2.gz MBRQAHXBRQMEAC-GFCCVEGCSA-N -1 3 307.346 2.044 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000292414017 403359490 /nfs/dbraw/zinc/35/94/90/403359490.db2.gz BSUGMMVYHAMDID-HIFRSBDPSA-N -1 3 303.358 2.272 20 10 DECDHM COCCC1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000297317211 404551778 /nfs/dbraw/zinc/55/17/78/404551778.db2.gz CUYNGMFOXCSWQC-UHFFFAOYSA-N -1 3 310.350 2.167 20 10 DECDHM CO[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000367127492 404940615 /nfs/dbraw/zinc/94/06/15/404940615.db2.gz XHJCWCPGPPYISL-FYCOFBDGSA-N -1 3 310.353 2.405 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)c([O-])c1O ZINC000273054418 301504146 /nfs/dbraw/zinc/50/41/46/301504146.db2.gz XHPRDUPPDGEKQX-AAEUAGOBSA-N -1 3 303.358 2.380 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000177364147 333127941 /nfs/dbraw/zinc/12/79/41/333127941.db2.gz RQYKMTNUAXEMTP-LLVKDONJSA-N -1 3 324.808 2.336 20 10 DECDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C)nc(=O)[n-]1 ZINC000352119205 336195587 /nfs/dbraw/zinc/19/55/87/336195587.db2.gz COKNLUGSMVHPMP-UHFFFAOYSA-N -1 3 310.357 2.221 20 10 DECDHM CC(C)N(CCS(C)(=O)=O)Cc1c([O-])cccc1Cl ZINC000131687835 519650678 /nfs/dbraw/zinc/65/06/78/519650678.db2.gz ADJGGEXXZPUWNX-UHFFFAOYSA-N -1 3 305.827 2.301 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1[O-] ZINC000267457439 518286148 /nfs/dbraw/zinc/28/61/48/518286148.db2.gz PQWRZQKYEYAACZ-HNLRAMPDSA-N -1 3 313.394 2.075 20 10 DECDHM CCOC(=O)CN(Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000267470798 520767608 /nfs/dbraw/zinc/76/76/08/520767608.db2.gz YDEWSDUXTBSULD-UHFFFAOYSA-N -1 3 309.337 2.261 20 10 DECDHM COc1cc(Cl)cc(CN2CCC[C@@]23CCOC3=O)c1[O-] ZINC000190035525 522536949 /nfs/dbraw/zinc/53/69/49/522536949.db2.gz IANGDSGFQRSTTP-HNNXBMFYSA-N -1 3 311.765 2.336 20 10 DECDHM Cc1cc(Br)cc(CN(CC(N)=O)C(C)C)c1[O-] ZINC000124514294 526156492 /nfs/dbraw/zinc/15/64/92/526156492.db2.gz KNXSASOQIHETPE-UHFFFAOYSA-N -1 3 315.211 2.159 20 10 DECDHM O=S(=O)(C[C@@H]1CCCCO1)Nc1ccc([O-])c(Cl)c1 ZINC000182492048 527182023 /nfs/dbraw/zinc/18/20/23/527182023.db2.gz QYHXDCRQCRUFEH-JTQLQIEISA-N -1 3 305.783 2.356 20 10 DECDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000820954049 598182576 /nfs/dbraw/zinc/18/25/76/598182576.db2.gz LIETWSBLFQJYJL-SECBINFHSA-N -1 3 314.179 2.370 20 10 DECDHM Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000820954049 598182577 /nfs/dbraw/zinc/18/25/77/598182577.db2.gz LIETWSBLFQJYJL-SECBINFHSA-N -1 3 314.179 2.370 20 10 DECDHM CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000311955044 625729401 /nfs/dbraw/zinc/72/94/01/625729401.db2.gz MGMMKFBNCYCBKW-GFCCVEGCSA-N -1 3 303.811 2.055 20 10 DECDHM [O-]c1ccc(Cl)cc1CN1CCN(c2cnccn2)CC1 ZINC000157908080 624198474 /nfs/dbraw/zinc/19/84/74/624198474.db2.gz WXWCAZNMUHWFHU-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000186871158 636577132 /nfs/dbraw/zinc/57/71/32/636577132.db2.gz VNRIFMIONMCDEC-UHFFFAOYSA-N -1 3 314.341 2.117 20 10 DECDHM CN(C)C(=O)O[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894878231 637283623 /nfs/dbraw/zinc/28/36/23/637283623.db2.gz VFBHKCDIGNLKJD-GFCCVEGCSA-N -1 3 314.332 2.333 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCN(CC(F)F)C1 ZINC000928708755 639488026 /nfs/dbraw/zinc/48/80/26/639488026.db2.gz SNTLPUIAYDDYAA-JTQLQIEISA-N -1 3 316.323 2.125 20 10 DECDHM O=C(CNCc1cc(Cl)cc(F)c1[O-])NCc1ccco1 ZINC000775934139 642114493 /nfs/dbraw/zinc/11/44/93/642114493.db2.gz XYUMRIJCLBTMSC-UHFFFAOYSA-N -1 3 312.728 2.184 20 10 DECDHM C[C@@H]1Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2NC1=O ZINC000776327283 642158741 /nfs/dbraw/zinc/15/87/41/642158741.db2.gz NMVYNCTZDBRBKU-QMMMGPOBSA-N -1 3 314.297 2.070 20 10 DECDHM CNC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000780886757 642684700 /nfs/dbraw/zinc/68/47/00/642684700.db2.gz DKIVRZMNIIHINU-UHFFFAOYSA-N -1 3 314.341 2.327 20 10 DECDHM C[C@H](CN1CCOCC1)N(C)Cc1c([O-])ccc(Cl)c1F ZINC000789764222 643771914 /nfs/dbraw/zinc/77/19/14/643771914.db2.gz VPLOTFOPIYWFKU-LLVKDONJSA-N -1 3 316.804 2.337 20 10 DECDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])c(OC)c1OC ZINC000790643407 643876870 /nfs/dbraw/zinc/87/68/70/643876870.db2.gz NQRDUMXQEVIWSR-UHFFFAOYSA-N -1 3 319.313 2.376 20 10 DECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(O)c2[O-])c1 ZINC000790649366 643877628 /nfs/dbraw/zinc/87/76/28/643877628.db2.gz FFCUEYGXZORTJU-SECBINFHSA-N -1 3 303.314 2.303 20 10 DECDHM CCc1ccc([C@H](O)CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000804157220 645733461 /nfs/dbraw/zinc/73/34/61/645733461.db2.gz RNNUYYKKSDYBHJ-OAHLLOKOSA-N -1 3 301.342 2.124 20 10 DECDHM CN(Cc1cc(Cl)c(F)cc1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000816514262 647145434 /nfs/dbraw/zinc/14/54/34/647145434.db2.gz RJAVGQMYWGYVLU-SECBINFHSA-N -1 3 321.801 2.051 20 10 DECDHM [O-]c1cc(F)c(Cl)cc1CN1CCSC[C@@H]1CCO ZINC000816520645 647146314 /nfs/dbraw/zinc/14/63/14/647146314.db2.gz UPAFQZAXTJEKGX-JTQLQIEISA-N -1 3 305.802 2.485 20 10 DECDHM C[C@H](COCC(F)(F)F)NC(=O)NCc1c([O-])cccc1F ZINC000915078764 647476914 /nfs/dbraw/zinc/47/69/14/647476914.db2.gz LELJJMDVYBZBQR-MRVPVSSYSA-N -1 3 324.274 2.298 20 10 DECDHM COC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccco1 ZINC000921178679 648278327 /nfs/dbraw/zinc/27/83/27/648278327.db2.gz OVQWPRCZKJXBTJ-GFCCVEGCSA-N -1 3 308.309 2.311 20 10 DECDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])[C@@H]2CCC[C@@H]21 ZINC000825202811 648724708 /nfs/dbraw/zinc/72/47/08/648724708.db2.gz VMSKAVSOCXMZTK-OCCSQVGLSA-N 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O=C(NCc1ccc(-c2ncccn2)cc1)c1cccc(O)c1[O-] ZINC001148224551 791714193 /nfs/dbraw/zinc/71/41/93/791714193.db2.gz PELAXYGUSYKNJW-UHFFFAOYSA-N -1 3 321.336 2.485 20 10 DECDHM CC(C)[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1cccnc1 ZINC001148590085 791778085 /nfs/dbraw/zinc/77/80/85/791778085.db2.gz BBZPLOZSDVJAIG-AWEZNQCLSA-N -1 3 302.330 2.326 20 10 DECDHM Cc1cccc2c1[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)CCO2 ZINC001148586553 791778300 /nfs/dbraw/zinc/77/83/00/791778300.db2.gz RZCVCMADZOVBLJ-LLVKDONJSA-N -1 3 315.325 2.365 20 10 DECDHM COCCOc1cccc(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148586735 791778631 /nfs/dbraw/zinc/77/86/31/791778631.db2.gz VWUQWYRFJNCSPA-UHFFFAOYSA-N -1 3 319.313 2.081 20 10 DECDHM O=C(N[C@@H](c1cncc(F)c1)C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590386 791778856 /nfs/dbraw/zinc/77/88/56/791778856.db2.gz JEAWRHFRZYWLOJ-CQSZACIVSA-N -1 3 318.304 2.219 20 10 DECDHM CC[C@@H](CO)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001183169738 795813550 /nfs/dbraw/zinc/81/35/50/795813550.db2.gz 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802034924 /nfs/dbraw/zinc/03/49/24/802034924.db2.gz MCDJBJPXYGUHSC-UHFFFAOYSA-N -1 3 314.179 2.138 20 10 DECDHM CN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1F ZINC001233333298 802079291 /nfs/dbraw/zinc/07/92/91/802079291.db2.gz QTWBRJBXYKEFDU-INIZCTEOSA-N -1 3 310.344 2.257 20 10 DECDHM [O-]c1ccc(F)c(F)c1CN1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001233336139 802079717 /nfs/dbraw/zinc/07/97/17/802079717.db2.gz ZXRXVSJMRCWXGA-DTORHVGOSA-N -1 3 305.271 2.384 20 10 DECDHM CN1CCC2(CN(Cc3cccc(C(F)(F)F)c3[O-])C2)C1=O ZINC001233419729 802113420 /nfs/dbraw/zinc/11/34/20/802113420.db2.gz KKOBJZZVEHJRGR-UHFFFAOYSA-N -1 3 314.307 2.075 20 10 DECDHM C[C@H]([NH2+]CCN1CCC(C)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594420241 999569436 /nfs/dbraw/zinc/56/94/36/999569436.db2.gz VMCZUKXJDBLAAR-ZDUSSCGKSA-N -1 3 306.406 2.473 20 10 DECDHM C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604243817 1070293032 /nfs/dbraw/zinc/29/30/32/1070293032.db2.gz SHZWJSDYOKVNSX-QWRGUYRKSA-N -1 3 303.362 2.106 20 10 DECDHM C[C@@H](O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1F ZINC001452808540 1057147471 /nfs/dbraw/zinc/14/74/71/1057147471.db2.gz CBZOVEZHUYEXLY-YMTOWFKASA-N -1 3 305.305 2.089 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc(-n2ccnc2)nc1 ZINC001456101699 1057815718 /nfs/dbraw/zinc/81/57/18/1057815718.db2.gz TVECLPHNXLIKJA-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1Cc2ccccc2O1 ZINC001478646088 1061253988 /nfs/dbraw/zinc/25/39/88/1061253988.db2.gz KEOMJAHGLKWBIL-GFCCVEGCSA-N -1 3 316.332 2.334 20 10 DECDHM [O-]c1cc(F)c(F)cc1CNc1ccc(-n2cnnn2)cc1 ZINC001621194245 1078170864 /nfs/dbraw/zinc/17/08/64/1078170864.db2.gz LWOHBQUUQAFYIU-UHFFFAOYSA-N -1 3 303.272 2.258 20 10 DECDHM O=C(c1cccc(O)c1[O-])N(CCCO)Cc1ccccc1 ZINC001635761325 1078457941 /nfs/dbraw/zinc/45/79/41/1078457941.db2.gz UGUFPNAUPPZPEF-UHFFFAOYSA-N -1 3 301.342 2.123 20 10 DECDHM Cc1cnnn1-c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001643593475 1078806005 /nfs/dbraw/zinc/80/60/05/1078806005.db2.gz PRDDEVBXGBPORO-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCN(c2cccc(F)c2)CC1 ZINC001648340942 1074995208 /nfs/dbraw/zinc/99/52/08/1074995208.db2.gz ANBRGUWAFHVJMP-UHFFFAOYSA-N -1 3 316.332 2.199 20 10 DECDHM O=C(N[C@@H](CCO)c1ccccc1F)c1cccc(O)c1[O-] ZINC001557175591 1075057912 /nfs/dbraw/zinc/05/79/12/1075057912.db2.gz OPNPXKUSVFZFKV-ZDUSSCGKSA-N -1 3 305.305 2.090 20 10 DECDHM C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1O ZINC001557966555 1075079229 /nfs/dbraw/zinc/07/92/29/1075079229.db2.gz HNWQWRYOKKRBAX-MRVPVSSYSA-N -1 3 300.293 2.294 20 10 DECDHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1c([O-])cccc1F ZINC001558454749 1075094569 /nfs/dbraw/zinc/09/45/69/1075094569.db2.gz LPCYMNRXJVLFSL-UHFFFAOYSA-N -1 3 322.267 2.438 20 10 DECDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccccc1O ZINC001580621447 1075964077 /nfs/dbraw/zinc/96/40/77/1075964077.db2.gz XVQUGEDBCHTEKU-LLVKDONJSA-N -1 3 323.356 2.372 20 10 DECDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccccc1O ZINC001580621447 1075964082 /nfs/dbraw/zinc/96/40/82/1075964082.db2.gz XVQUGEDBCHTEKU-LLVKDONJSA-N -1 3 323.356 2.372 20 10 DECDHM CO[C@@](C)(C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C1CC1 ZINC001591317590 1076721320 /nfs/dbraw/zinc/72/13/20/1076721320.db2.gz GNVVPXVCXUVMAA-QFYYESIMSA-N -1 3 317.393 2.038 20 10 DECDHM NC(=O)NCc1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001652025706 1079848016 /nfs/dbraw/zinc/84/80/16/1079848016.db2.gz VNUMJZHFRFRLGL-UHFFFAOYSA-N -1 3 307.300 2.451 20 10 DECDHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(Cl)cc1[O-] ZINC001658517914 1080210170 /nfs/dbraw/zinc/21/01/70/1080210170.db2.gz PLJJUJQPSGKXCI-ZJUUUORDSA-N -1 3 305.827 2.299 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](Nc2ncccn2)C1 ZINC001658427135 1080206625 /nfs/dbraw/zinc/20/66/25/1080206625.db2.gz AZEPLIDCKPAHPL-NSHDSACASA-N -1 3 306.316 2.147 20 10 DECDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)ccc1C(N)=O ZINC001659137338 1080232196 /nfs/dbraw/zinc/23/21/96/1080232196.db2.gz GQEDPEVRNVFNOW-UHFFFAOYSA-N -1 3 317.320 2.260 20 10 DECDHM C[C@](CO)(NCc1cc(F)c(F)cc1[O-])c1cccc(O)c1 ZINC001660328066 1080311526 /nfs/dbraw/zinc/31/15/26/1080311526.db2.gz YUCUMCDDCXXDQW-MRXNPFEDSA-N -1 3 309.312 2.373 20 10 DECDHM CN(C)c1cc(NC(=O)NCc2c([O-])cccc2F)ccn1 ZINC001663898667 1080833939 /nfs/dbraw/zinc/83/39/39/1080833939.db2.gz WZUVOKFIYAMYOH-UHFFFAOYSA-N -1 3 304.325 2.314 20 10 DECDHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)sn1 ZINC001664295173 1080892065 /nfs/dbraw/zinc/89/20/65/1080892065.db2.gz HIYAMRGXAINKCE-UHFFFAOYSA-N -1 3 318.807 2.289 20 10 DECDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc(F)cc1F ZINC001666281946 1081140354 /nfs/dbraw/zinc/14/03/54/1081140354.db2.gz ZZGDLSLREJYPET-UHFFFAOYSA-N -1 3 317.288 2.288 20 10 DECDHM O=S(=O)([N-]Cc1c(O)cccc1F)c1ccc(F)cc1F ZINC001666281946 1081140358 /nfs/dbraw/zinc/14/03/58/1081140358.db2.gz ZZGDLSLREJYPET-UHFFFAOYSA-N -1 3 317.288 2.288 20 10 DECDHM COc1cc([O-])c(CN2CC(=O)NC3(CCCC3)C2)c(Cl)c1 ZINC001236806685 1138433536 /nfs/dbraw/zinc/43/35/36/1138433536.db2.gz ZKCITDKWKBWBLA-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/44/17/26/651441726.db2.gz LWBALKDRDWRYHW-CYBMUJFWSA-N -1 3 315.373 2.097 20 10 DECDHM CC[C@@H](C(=O)NCc1c([O-])cccc1F)N1CCO[C@H](CC)C1 ZINC000928709018 693831252 /nfs/dbraw/zinc/83/12/52/693831252.db2.gz VTJWUJNJQFZWBD-DOMZBBRYSA-N -1 3 324.396 2.037 20 10 DECDHM CC(C)n1cnnc1SCC(=O)NCc1c([O-])cccc1F ZINC000928710687 693831831 /nfs/dbraw/zinc/83/18/31/693831831.db2.gz VYIFBISJPJAUJH-UHFFFAOYSA-N -1 3 324.381 2.112 20 10 DECDHM [O-]c1ccc(Cl)cc1CN1CCN(c2ncccn2)CC1 ZINC000139741796 684251449 /nfs/dbraw/zinc/25/14/49/684251449.db2.gz NMCUVVVFIAZIBI-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM CC(=O)NC[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000860174942 685896478 /nfs/dbraw/zinc/89/64/78/685896478.db2.gz BXXFWQONXUNHEA-HNNXBMFYSA-N -1 3 322.380 2.225 20 10 DECDHM O=C1C[C@@H](Oc2ccccc2NCc2cccc(F)c2[O-])N1 ZINC000864040267 686604804 /nfs/dbraw/zinc/60/48/04/686604804.db2.gz JCIQIBZMXQLKBC-OAHLLOKOSA-N -1 3 302.305 2.368 20 10 DECDHM COCCN1CCN(Cc2ccc(F)c(F)c2[O-])C(C)(C)C1 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Cc1ccc(NCCNC(=O)NCc2c([O-])cccc2F)nc1 ZINC000927471807 693611893 /nfs/dbraw/zinc/61/18/93/693611893.db2.gz GAQVUJZYDUXYAK-UHFFFAOYSA-N -1 3 318.352 2.146 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ncoc1[C@H]1CCCO1 ZINC001333661826 1150075335 /nfs/dbraw/zinc/07/53/35/1150075335.db2.gz XFFMVZGHSFYZAC-GFCCVEGCSA-N -1 3 306.293 2.301 20 10 DECDHM COc1cc2c(cc1O)CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001472619310 1151889357 /nfs/dbraw/zinc/88/93/57/1151889357.db2.gz GYJMOHSVFMMQMQ-UHFFFAOYSA-N -1 3 315.325 2.011 20 10 DECDHM O=C1OCCN1C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527552 780794810 /nfs/dbraw/zinc/79/48/10/780794810.db2.gz YTUNVDWRQUSIPB-UHFFFAOYSA-N -1 3 312.316 2.087 20 10 DECDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@H](CO)C1 ZINC001144300050 790849142 /nfs/dbraw/zinc/84/91/42/790849142.db2.gz PYRXRBBRSULLJE-QMMMGPOBSA-N -1 3 304.159 2.108 20 10 DECDHM CN(C)C(=O)Oc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148219079 791712251 /nfs/dbraw/zinc/71/22/51/791712251.db2.gz RDRRUUUJKYDFSM-UHFFFAOYSA-N -1 3 316.313 2.411 20 10 DECDHM O=C(Nc1nc2ccc(F)cc2o1)c1cc(O)c([O-])c(O)c1 ZINC001148580538 791776818 /nfs/dbraw/zinc/77/68/18/791776818.db2.gz HAFOKLYJPJLINJ-UHFFFAOYSA-N -1 3 304.233 2.336 20 10 DECDHM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1cc(O)c([O-])c(O)c1 ZINC001148591058 791779547 /nfs/dbraw/zinc/77/95/47/791779547.db2.gz SFGZYNIIWNVJBA-SNVBAGLBSA-N -1 3 321.716 2.320 20 10 DECDHM O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1cccc(O)c1[O-] ZINC001176958197 794541986 /nfs/dbraw/zinc/54/19/86/794541986.db2.gz KRHVXBLXTVRYKQ-GFCCVEGCSA-N -1 3 321.760 2.085 20 10 DECDHM COC(=O)c1ccc(/C=C\C(=O)NCc2c([O-])cccc2F)o1 ZINC001178413466 794921680 /nfs/dbraw/zinc/92/16/80/794921680.db2.gz SGBPPMZOOIFSOW-VURMDHGXSA-N -1 3 319.288 2.241 20 10 DECDHM CNC(=O)OC[C@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001182175406 795620828 /nfs/dbraw/zinc/62/08/28/795620828.db2.gz XQBXFINOROTSSM-LLVKDONJSA-N -1 3 314.332 2.381 20 10 DECDHM COC[C@H]1Cn2nccc2CN(Cc2cccc(F)c2[O-])C1 ZINC001138127108 796168222 /nfs/dbraw/zinc/16/82/22/796168222.db2.gz PDMKSPKKHNNTIQ-GFCCVEGCSA-N -1 3 305.353 2.006 20 10 DECDHM O=C1CN(Cc2c([O-])cccc2Cl)CCN1c1ccccn1 ZINC001140342322 796509686 /nfs/dbraw/zinc/50/96/86/796509686.db2.gz DBJRITWSNLGDIM-UHFFFAOYSA-N -1 3 317.776 2.289 20 10 DECDHM CCO[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001142513097 796747252 /nfs/dbraw/zinc/74/72/52/796747252.db2.gz XJYBNOWPHSEJHZ-BMFZPTHFSA-N -1 3 313.344 2.439 20 10 DECDHM CCNC(=O)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001202548800 799223286 /nfs/dbraw/zinc/22/32/86/799223286.db2.gz BNSHVHSLRVYBNM-UHFFFAOYSA-N -1 3 310.309 2.309 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1ccnn1[C@@H]1CCOC1 ZINC000934093406 800256281 /nfs/dbraw/zinc/25/62/81/800256281.db2.gz HTVJVBBLRQMWGI-SNVBAGLBSA-N -1 3 320.324 2.011 20 10 DECDHM O=C1C[C@@H](Oc2cccc(NCc3cccc(F)c3[O-])c2)N1 ZINC001206270004 800498986 /nfs/dbraw/zinc/49/89/86/800498986.db2.gz IKTRDBIPJDUBJP-OAHLLOKOSA-N -1 3 302.305 2.368 20 10 DECDHM CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231566368 801688079 /nfs/dbraw/zinc/68/80/79/801688079.db2.gz ZVAALWXNAYPJDL-CYBMUJFWSA-N -1 3 321.373 2.256 20 10 DECDHM CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231566368 801688085 /nfs/dbraw/zinc/68/80/85/801688085.db2.gz ZVAALWXNAYPJDL-CYBMUJFWSA-N -1 3 321.373 2.256 20 10 DECDHM CC(C)(O)CCN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001231915062 801750187 /nfs/dbraw/zinc/75/01/87/801750187.db2.gz WOQQPNCXOQRDKL-UHFFFAOYSA-N -1 3 312.841 2.324 20 10 DECDHM COc1cc([O-])c(CN(C)C2(C)COC2)cc1Br ZINC001233140227 802034556 /nfs/dbraw/zinc/03/45/56/802034556.db2.gz ACVOWAPOFQWGRT-UHFFFAOYSA-N -1 3 316.195 2.384 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@@H]1COCO1 ZINC001227937229 803297298 /nfs/dbraw/zinc/29/72/98/803297298.db2.gz GFKFWSVICAKGQG-LBPRGKRZSA-N -1 3 316.309 2.081 20 10 DECDHM CCOc1ccc(C[NH2+]CCc2ncc(C(=O)[O-])s2)c([O-])c1 ZINC001597105255 986735355 /nfs/dbraw/zinc/73/53/55/986735355.db2.gz KEVNELNCBHHINL-UHFFFAOYSA-N -1 3 322.386 2.278 20 10 DECDHM C[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1[O-] ZINC001599840961 988828676 /nfs/dbraw/zinc/82/86/76/988828676.db2.gz BNZKIFANMQMIQX-LLVKDONJSA-N -1 3 314.341 2.380 20 10 DECDHM C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593267056 994585445 /nfs/dbraw/zinc/58/54/45/994585445.db2.gz JNKDTZYYLZPDEZ-VIFPVBQESA-N -1 3 320.311 2.235 20 10 DECDHM C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593269112 994597685 /nfs/dbraw/zinc/59/76/85/994597685.db2.gz ZFCNPUXUNLEYOU-TZMCWYRMSA-N -1 3 323.389 2.327 20 10 DECDHM C[C@@H]([NH2+]CCCC(C)(C)CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603662181 1070029476 /nfs/dbraw/zinc/02/94/76/1070029476.db2.gz GZSVMCPFAMNPIB-LLVKDONJSA-N -1 3 319.409 2.022 20 10 DECDHM CC[N@H+](CC(=O)[O-])Cc1cc(Br)cc(C)c1[O-] ZINC001605415745 1070707437 /nfs/dbraw/zinc/70/74/37/1070707437.db2.gz OQHKSRMVMXSRDQ-UHFFFAOYSA-N -1 3 302.168 2.370 20 10 DECDHM CC[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(C)c1[O-] ZINC001605415745 1070707444 /nfs/dbraw/zinc/70/74/44/1070707444.db2.gz OQHKSRMVMXSRDQ-UHFFFAOYSA-N -1 3 302.168 2.370 20 10 DECDHM Cc1cc(CNCc2c3cc(F)ccc3n(C)c2C(=O)[O-])n[nH]1 ZINC001607650358 1071512049 /nfs/dbraw/zinc/51/20/49/1071512049.db2.gz YBYQVIWQLFIFHT-UHFFFAOYSA-N -1 3 316.336 2.337 20 10 DECDHM Cc1cc(CNCc2c3cc(F)ccc3n(C)c2C(=O)[O-])[nH]n1 ZINC001607650358 1071512061 /nfs/dbraw/zinc/51/20/61/1071512061.db2.gz YBYQVIWQLFIFHT-UHFFFAOYSA-N -1 3 316.336 2.337 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cccc2[nH]c(=O)[nH]c21 ZINC001456030207 1057808466 /nfs/dbraw/zinc/80/84/66/1057808466.db2.gz RJQVAYRZMQOIGC-UHFFFAOYSA-N -1 3 301.277 2.043 20 10 DECDHM Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1c([O-])cccc1F ZINC001456109079 1057817261 /nfs/dbraw/zinc/81/72/61/1057817261.db2.gz WWICBSGUXYIDQH-UHFFFAOYSA-N -1 3 305.265 2.073 20 10 DECDHM [O-]c1cc(F)c(F)cc1C[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC001462241424 1058788499 /nfs/dbraw/zinc/78/84/99/1058788499.db2.gz WSGCCKAMSGHCFK-UHFFFAOYSA-N -1 3 317.299 2.140 20 10 DECDHM [O-]c1cc(F)c(F)cc1CNCc1nc(-c2ccccn2)n[nH]1 ZINC001462241424 1058788512 /nfs/dbraw/zinc/78/85/12/1058788512.db2.gz WSGCCKAMSGHCFK-UHFFFAOYSA-N -1 3 317.299 2.140 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC001462335856 1058805012 /nfs/dbraw/zinc/80/50/12/1058805012.db2.gz SASIGRJDPVQJCD-CYBMUJFWSA-N -1 3 313.344 2.440 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1c[nH]nc1-c1ccco1 ZINC001471975708 1060354983 /nfs/dbraw/zinc/35/49/83/1060354983.db2.gz DQPOIKIZBCDTJQ-UHFFFAOYSA-N -1 3 301.277 2.444 20 10 DECDHM CCOc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC001472236280 1060451460 /nfs/dbraw/zinc/45/14/60/1060451460.db2.gz JNBNHWDDPNVLKN-UHFFFAOYSA-N -1 3 301.342 2.469 20 10 DECDHM Cc1cc(F)ccc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001622592731 1078191562 /nfs/dbraw/zinc/19/15/62/1078191562.db2.gz HMOYTMDTTOKJBJ-UHFFFAOYSA-N -1 3 313.325 2.457 20 10 DECDHM Cc1cc([N+](=O)[O-])cc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001635366816 1078449027 /nfs/dbraw/zinc/44/90/27/1078449027.db2.gz MIXLTINHIOKSFA-UHFFFAOYSA-N -1 3 305.265 2.073 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@]1([C@@H]2CCCCO2)CCCO1 ZINC001520694881 1069168307 /nfs/dbraw/zinc/16/83/07/1069168307.db2.gz KORMBTIRWNXEAI-DOTOQJQBSA-N -1 3 323.364 2.266 20 10 DECDHM Cc1ccc(C(=O)Nc2ccnc(-n3cccn3)c2)c([O-])c1O ZINC001648701526 1075005858 /nfs/dbraw/zinc/00/58/58/1075005858.db2.gz LOSRSSUEZIZLCB-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM Cc1ccc(O)c(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC001581209784 1076050968 /nfs/dbraw/zinc/05/09/68/1076050968.db2.gz VDOPYFWURKUEDQ-UHFFFAOYSA-N -1 3 324.344 2.202 20 10 DECDHM Cc1ccc(O)c(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC001581209784 1076050978 /nfs/dbraw/zinc/05/09/78/1076050978.db2.gz VDOPYFWURKUEDQ-UHFFFAOYSA-N -1 3 324.344 2.202 20 10 DECDHM C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590244328 1076596983 /nfs/dbraw/zinc/59/69/83/1076596983.db2.gz TWANHOJGNSUIMK-IJLUTSLNSA-N -1 3 317.393 2.181 20 10 DECDHM CC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464896 1076632144 /nfs/dbraw/zinc/63/21/44/1076632144.db2.gz RCXLMTUNNOAHGC-MJVIPROJSA-N -1 3 319.409 2.020 20 10 DECDHM O=[N+]([O-])c1ccc(Sc2nccs2)c(-c2nnn[n-]2)c1 ZINC001593479372 1077009626 /nfs/dbraw/zinc/00/96/26/1077009626.db2.gz FBBZNFKQSXOCPR-UHFFFAOYSA-N -1 3 306.332 2.383 20 10 DECDHM O=[N+]([O-])c1ccc(Sc2nccs2)c(-c2nn[n-]n2)c1 ZINC001593479372 1077009631 /nfs/dbraw/zinc/00/96/31/1077009631.db2.gz FBBZNFKQSXOCPR-UHFFFAOYSA-N -1 3 306.332 2.383 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCN[C@H](c2ccc(F)cc2)C1 ZINC001594592173 1077054398 /nfs/dbraw/zinc/05/43/98/1077054398.db2.gz GDIBLKMIVYAOCQ-AWEZNQCLSA-N -1 3 316.332 2.024 20 10 DECDHM O=C(COc1cccc([N+](=O)[O-])c1)NCc1c([O-])cccc1F ZINC001596911488 1077084771 /nfs/dbraw/zinc/08/47/71/1077084771.db2.gz GXIVOZSYPGUNCS-UHFFFAOYSA-N -1 3 320.276 2.135 20 10 DECDHM O=C([O-])[C@@H](CF)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001608534274 1077651431 /nfs/dbraw/zinc/65/14/31/1077651431.db2.gz ROWKMHRKGFGUHY-OAHLLOKOSA-N -1 3 319.332 2.484 20 10 DECDHM C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781929 1077922327 /nfs/dbraw/zinc/92/23/27/1077922327.db2.gz VUNAOOPLKZKNMY-WFASDCNBSA-N -1 3 315.369 2.345 20 10 DECDHM CS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001652551536 1079883551 /nfs/dbraw/zinc/88/35/51/1079883551.db2.gz GBHQWABTXQGEQG-LLVKDONJSA-N -1 3 317.838 2.302 20 10 DECDHM COc1cc([O-])c(CN2CCCN(C(C)=O)CC2)c(Cl)c1 ZINC001236801125 1079954658 /nfs/dbraw/zinc/95/46/58/1079954658.db2.gz ASBDARYWWRYGKI-UHFFFAOYSA-N -1 3 312.797 2.108 20 10 DECDHM COC(=O)Cn1ncc(NCc2ccc(Cl)cc2[O-])c1C ZINC001659636101 1080244415 /nfs/dbraw/zinc/24/44/15/1080244415.db2.gz OGNVTYIARAFTQT-UHFFFAOYSA-N -1 3 309.753 2.336 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2CC3(CC(O)C3)C2)c1 ZINC001236673481 1138392535 /nfs/dbraw/zinc/39/25/35/1138392535.db2.gz MMYPDBHQZZAZDG-UHFFFAOYSA-N -1 3 312.207 2.420 20 10 DECDHM CN1CCO[C@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]21 ZINC001236790744 1138428864 /nfs/dbraw/zinc/42/88/64/1138428864.db2.gz SYQIFPKHTKAYEG-OCCSQVGLSA-N -1 3 317.216 2.214 20 10 DECDHM C[C@]1(CO)CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@H]1O ZINC001236792098 1138430587 /nfs/dbraw/zinc/43/05/87/1138430587.db2.gz BMUHZYQPYOWYHW-ZIAGYGMSSA-N -1 3 320.216 2.264 20 10 DECDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H](N2CCOCC2)C1 ZINC001237799593 1138791195 /nfs/dbraw/zinc/79/11/95/1138791195.db2.gz SDIMIILIVHRTNX-CYBMUJFWSA-N -1 3 314.788 2.091 20 10 DECDHM O=C1CCC2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)N1 ZINC001237801194 1138792958 /nfs/dbraw/zinc/79/29/58/1138792958.db2.gz FDMYQAFCUQXZEY-UHFFFAOYSA-N -1 3 312.772 2.429 20 10 DECDHM O=C1CCN(Cc2cc(F)cc(Cl)c2[O-])C[C@H]2CCCN12 ZINC001237803935 1138794293 /nfs/dbraw/zinc/79/42/93/1138794293.db2.gz WOBBSNQRFGJGJL-GFCCVEGCSA-N -1 3 312.772 2.381 20 10 DECDHM O=C([N-]c1c2nonc2ccc1Cl)c1cnn2cccnc12 ZINC001261140128 1144222884 /nfs/dbraw/zinc/22/28/84/1144222884.db2.gz 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/nfs/dbraw/zinc/62/44/61/648624461.db2.gz XCITXCQVUVFDSQ-LLVKDONJSA-N -1 3 309.259 2.089 20 10 DECDHM CS(=O)(=O)C[C@@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000824914771 648671831 /nfs/dbraw/zinc/67/18/31/648671831.db2.gz YRKRQABWKHIKMY-ZDUSSCGKSA-N -1 3 317.838 2.445 20 10 DECDHM Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1C(N)=O ZINC000182312596 648870936 /nfs/dbraw/zinc/87/09/36/648870936.db2.gz SZONWTNLTNSPIS-UHFFFAOYSA-N -1 3 300.314 2.066 20 10 DECDHM CN1CCCC(C)(C)[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000830838369 649503601 /nfs/dbraw/zinc/50/36/01/649503601.db2.gz UGYZBLZAVVACGR-LBPRGKRZSA-N -1 3 310.369 2.087 20 10 DECDHM COc1cc(CCNC(=O)c2cccc(O)c2[O-])ccc1C ZINC000185722409 649597332 /nfs/dbraw/zinc/59/73/32/649597332.db2.gz QJPKODBAZFAKIU-UHFFFAOYSA-N -1 3 301.342 2.387 20 10 DECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(O)c1[O-] ZINC000185763105 649604965 /nfs/dbraw/zinc/60/49/65/649604965.db2.gz ZFNWTFHIQBUVAA-UHFFFAOYSA-N -1 3 314.341 2.203 20 10 DECDHM Cn1nccc1[C@@H]1COCCN1Cc1c([O-])ccc2ccncc21 ZINC000844755630 651165914 /nfs/dbraw/zinc/16/59/14/651165914.db2.gz KYESCGXKDXOLTK-KRWDZBQOSA-N -1 3 324.384 2.247 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000848145096 651440365 /nfs/dbraw/zinc/44/03/65/651440365.db2.gz IZRAPZCRTOIBAQ-KBPBESRZSA-N -1 3 324.380 2.306 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000848145098 651440455 /nfs/dbraw/zinc/44/04/55/651440455.db2.gz IZRAPZCRTOIBAQ-ZIAGYGMSSA-N -1 3 324.380 2.306 20 10 DECDHM CC(C)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000127013427 684159417 /nfs/dbraw/zinc/15/94/17/684159417.db2.gz ZHFWWJUODVMWMP-UHFFFAOYSA-N -1 3 313.785 2.480 20 10 DECDHM C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1c([O-])cccc1F ZINC000928710330 693831236 /nfs/dbraw/zinc/83/12/36/693831236.db2.gz BLLMQWQDYRCXRB-NWDGAFQWSA-N -1 3 311.353 2.122 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cc2c([nH]c1=O)CCC2 ZINC000928712730 693831565 /nfs/dbraw/zinc/83/15/65/693831565.db2.gz YAYLQXLARBCGGQ-UHFFFAOYSA-N -1 3 302.305 2.051 20 10 DECDHM O=C(NCc1cccnc1OCC(F)F)c1cccc(O)c1[O-] ZINC000193150386 685033489 /nfs/dbraw/zinc/03/34/89/685033489.db2.gz VYYIXQIFZDRIOM-UHFFFAOYSA-N -1 3 324.283 2.067 20 10 DECDHM [O-]c1cccc(Br)c1CN1CC[C@](F)(CO)C1 ZINC000862357921 686280712 /nfs/dbraw/zinc/28/07/12/686280712.db2.gz MWALHPSTAOOMAL-GFCCVEGCSA-N -1 3 304.159 2.061 20 10 DECDHM COC[C@@H](C)n1ccc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC000930992072 694289257 /nfs/dbraw/zinc/28/92/57/694289257.db2.gz LMVUSENUPOMHRK-SNVBAGLBSA-N -1 3 322.340 2.257 20 10 DECDHM [O-]c1cccc(Br)c1CN1CCSC[C@H]1CO ZINC000877780505 690225399 /nfs/dbraw/zinc/22/53/99/690225399.db2.gz STGDYFXYIKPCGK-SECBINFHSA-N -1 3 318.236 2.064 20 10 DECDHM CCC(=O)c1cn(Cc2cc(Cl)cc(C(C)=O)c2[O-])nn1 ZINC000880998828 691010760 /nfs/dbraw/zinc/01/07/60/691010760.db2.gz AZJMERWYUWRFOA-UHFFFAOYSA-N -1 3 307.737 2.481 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Cc2nccs2)C1 ZINC000890214251 692892868 /nfs/dbraw/zinc/89/28/68/692892868.db2.gz BZXRRKAWURRBMD-JTQLQIEISA-N -1 3 304.371 2.259 20 10 DECDHM COc1cc([O-])c(CN2CCNCC(F)(F)C2)c(Cl)c1 ZINC001211348367 777037177 /nfs/dbraw/zinc/03/71/77/777037177.db2.gz YPMWOKRLLDBMAZ-UHFFFAOYSA-N -1 3 306.740 2.095 20 10 DECDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@H](CO)C1 ZINC001144299221 790849542 /nfs/dbraw/zinc/84/95/42/790849542.db2.gz SAVUVZCMZDEEMN-SECBINFHSA-N -1 3 318.186 2.498 20 10 DECDHM CCOC(=O)C1(CC)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148218567 791712265 /nfs/dbraw/zinc/71/22/65/791712265.db2.gz FXEYPNRAHKKNIA-UHFFFAOYSA-N -1 3 321.373 2.293 20 10 DECDHM O=C(N[C@H](c1ccccc1)C1(O)CCC1)c1cccc(O)c1[O-] ZINC001148224766 791713962 /nfs/dbraw/zinc/71/39/62/791713962.db2.gz UVIXQCZVFKMMPD-MRXNPFEDSA-N -1 3 313.353 2.484 20 10 DECDHM C[C@]1(CF)CC(F)(F)CN1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583065 791777418 /nfs/dbraw/zinc/77/74/18/791777418.db2.gz RHHBLQFFNQNGKZ-GFCCVEGCSA-N -1 3 305.252 2.013 20 10 DECDHM O=C(Cc1ccon1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177516907 794687520 /nfs/dbraw/zinc/68/75/20/794687520.db2.gz PBKDQKYUCDQDDL-UHFFFAOYSA-N -1 3 317.732 2.441 20 10 DECDHM COC[C@H]1Cn2nccc2CN(Cc2c([O-])cccc2F)C1 ZINC001137835760 796144338 /nfs/dbraw/zinc/14/43/38/796144338.db2.gz MYCBYZASQFFIPG-GFCCVEGCSA-N -1 3 305.353 2.006 20 10 DECDHM CCn1ncc2c1[C@@H](COC)CN(Cc1cccc(F)c1[O-])C2 ZINC001138125303 796168056 /nfs/dbraw/zinc/16/80/56/796168056.db2.gz NNANDFXIMWKANB-CQSZACIVSA-N -1 3 319.380 2.494 20 10 DECDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1=O ZINC001140059005 796472190 /nfs/dbraw/zinc/47/21/90/796472190.db2.gz SPINRLPPEBSEGZ-UHFFFAOYSA-N -1 3 324.352 2.111 20 10 DECDHM O=C(C1CCC1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140341577 796509190 /nfs/dbraw/zinc/50/91/90/796509190.db2.gz XAOXQKSALJJGAF-UHFFFAOYSA-N -1 3 308.809 2.490 20 10 DECDHM Cc1cc(C)c(CNC(=O)c2nn[n-]c2C(F)(F)F)c(O)c1 ZINC001187774084 796569833 /nfs/dbraw/zinc/56/98/33/796569833.db2.gz QASUKORWLCKJSB-UHFFFAOYSA-N -1 3 314.267 2.076 20 10 DECDHM Cc1cc(C)c(CNC(=O)c2[n-]nnc2C(F)(F)F)c(O)c1 ZINC001187774084 796569835 /nfs/dbraw/zinc/56/98/35/796569835.db2.gz QASUKORWLCKJSB-UHFFFAOYSA-N -1 3 314.267 2.076 20 10 DECDHM O=S(=O)(CC1CC1)Nc1ccc([O-])c(Br)c1 ZINC001188963078 796747441 /nfs/dbraw/zinc/74/74/41/796747441.db2.gz DDTDUAVEIRMKHL-UHFFFAOYSA-N -1 3 306.181 2.306 20 10 DECDHM CN1CCOc2ccc(C(=O)NCc3c([O-])cccc3F)cc21 ZINC001156171039 797938134 /nfs/dbraw/zinc/93/81/34/797938134.db2.gz WLOJCVDPLADHFB-UHFFFAOYSA-N -1 3 316.332 2.290 20 10 DECDHM Cc1noc(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)n1 ZINC001231455607 801669054 /nfs/dbraw/zinc/66/90/54/801669054.db2.gz RNOYBLLSILWKCT-UHFFFAOYSA-N -1 3 317.345 2.161 20 10 DECDHM COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231866766 801740599 /nfs/dbraw/zinc/74/05/99/801740599.db2.gz DOYUGRRJCDLYBJ-JQWIXIFHSA-N -1 3 301.745 2.439 20 10 DECDHM COC(=O)[C@@]1(F)CCN(Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232263928 801832597 /nfs/dbraw/zinc/83/25/97/801832597.db2.gz BOTPWVRFRNFDHA-CQSZACIVSA-N -1 3 317.744 2.141 20 10 DECDHM COc1nccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1F ZINC001215327485 801835548 /nfs/dbraw/zinc/83/55/48/801835548.db2.gz CYDFIKIJMRFVGL-UHFFFAOYSA-N -1 3 319.248 2.063 20 10 DECDHM [O-]c1cc(I)ccc1CN1CC=CC1 ZINC001232974006 801995362 /nfs/dbraw/zinc/99/53/62/801995362.db2.gz FILDTJAOQGTONS-UHFFFAOYSA-N -1 3 301.127 2.369 20 10 DECDHM CCO[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@@H]2CCCO[C@H]12 ZINC001233074085 802020862 /nfs/dbraw/zinc/02/08/62/802020862.db2.gz GWEFWEAYCVNBBT-IOASZLSFSA-N -1 3 313.344 2.439 20 10 DECDHM COc1ncnc2c1CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333976 802080578 /nfs/dbraw/zinc/08/05/78/802080578.db2.gz OWTRXWGMKXWIKH-UHFFFAOYSA-N -1 3 321.327 2.070 20 10 DECDHM CC(C)c1ccc(O)c(CN2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001591974508 976589713 /nfs/dbraw/zinc/58/97/13/976589713.db2.gz ZPLGVXYGIJRHOG-KRWDZBQOSA-N -1 3 318.373 2.321 20 10 DECDHM C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220804 994316744 /nfs/dbraw/zinc/31/67/44/994316744.db2.gz VOORGTJXPVBINL-ONGXEEELSA-N -1 3 314.332 2.080 20 10 DECDHM C[C@H]([NH2+]CCc1ccc(CO)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274238 994624309 /nfs/dbraw/zinc/62/43/09/994624309.db2.gz KJMQQQAHAVPZPM-LBPRGKRZSA-N -1 3 315.369 2.476 20 10 DECDHM CC1=NO[C@@H](CNCc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001594119133 998254470 /nfs/dbraw/zinc/25/44/70/998254470.db2.gz LFXWTFATFGYAKC-LLVKDONJSA-N -1 3 319.336 2.270 20 10 DECDHM CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c([O-])c1 ZINC001605690793 1070840992 /nfs/dbraw/zinc/84/09/92/1070840992.db2.gz QXJZXTPDDXJSKS-PEYYIBSZSA-N -1 3 305.374 2.476 20 10 DECDHM CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c([O-])c1 ZINC001605690793 1070841023 /nfs/dbraw/zinc/84/10/23/1070841023.db2.gz QXJZXTPDDXJSKS-PEYYIBSZSA-N -1 3 305.374 2.476 20 10 DECDHM C[C@H](O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1F ZINC001452808531 1057147549 /nfs/dbraw/zinc/14/75/49/1057147549.db2.gz CBZOVEZHUYEXLY-LKFCYVNXSA-N -1 3 305.305 2.089 20 10 DECDHM COCCOc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001471974407 1060355120 /nfs/dbraw/zinc/35/51/20/1060355120.db2.gz CEHVOZRGVRLDQD-UHFFFAOYSA-N -1 3 319.332 2.487 20 10 DECDHM O=C(NCc1nc(-c2ccccc2)no1)c1cccc(O)c1[O-] ZINC001567426655 1064194627 /nfs/dbraw/zinc/19/46/27/1064194627.db2.gz LRPSQYRDCSXAOC-UHFFFAOYSA-N -1 3 311.297 2.078 20 10 DECDHM Cc1cc(CNC(=O)c2cn[n-]n2)c(C)n1-c1cccc(C)c1 ZINC001641795547 1078729416 /nfs/dbraw/zinc/72/94/16/1078729416.db2.gz MCYYFZAIWVREMG-UHFFFAOYSA-N -1 3 309.373 2.451 20 10 DECDHM O=C([N-]c1c2nonc2ccc1Cl)c1cc2ncccn2n1 ZINC001543805957 1072508919 /nfs/dbraw/zinc/50/89/19/1072508919.db2.gz QDQZOYFLRWOYHB-UHFFFAOYSA-N -1 3 314.692 2.171 20 10 DECDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])COc2ccccc2O1 ZINC001557650108 1075070609 /nfs/dbraw/zinc/07/06/09/1075070609.db2.gz FHLIDIFSMXULMY-KRWDZBQOSA-N -1 3 315.325 2.058 20 10 DECDHM O=C(C[C@H]1OC(=O)c2ccccc21)NCc1c([O-])cccc1F ZINC001558456174 1075094850 /nfs/dbraw/zinc/09/48/50/1075094850.db2.gz UJDRXXBZTONTQI-OAHLLOKOSA-N 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ZINC001591688177 1076771059 /nfs/dbraw/zinc/77/10/59/1076771059.db2.gz IRMUEVURVSMUSO-VIFPVBQESA-N -1 3 305.407 2.119 20 10 DECDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001592096246 1076846587 /nfs/dbraw/zinc/84/65/87/1076846587.db2.gz BSCAQMMJEOOZHH-UHFFFAOYSA-N -1 3 321.340 2.037 20 10 DECDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC001592096246 1076846595 /nfs/dbraw/zinc/84/65/95/1076846595.db2.gz BSCAQMMJEOOZHH-UHFFFAOYSA-N -1 3 321.340 2.037 20 10 DECDHM O=C(CSc1nccs1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001592906426 1076965363 /nfs/dbraw/zinc/96/53/63/1076965363.db2.gz JLSXHRIAGWOCKU-UHFFFAOYSA-N -1 3 318.387 2.054 20 10 DECDHM O=C(CSc1nccs1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001592906426 1076965366 /nfs/dbraw/zinc/96/53/66/1076965366.db2.gz JLSXHRIAGWOCKU-UHFFFAOYSA-N -1 3 318.387 2.054 20 10 DECDHM C[C@H]([NH2+]CCOCC(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001609777008 1077920612 /nfs/dbraw/zinc/92/06/12/1077920612.db2.gz CJSRPGRHMTYJHY-QMMMGPOBSA-N -1 3 307.268 2.320 20 10 DECDHM C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609775728 1077920962 /nfs/dbraw/zinc/92/09/62/1077920962.db2.gz DAEJAJNWLRWHDO-LBPRGKRZSA-N -1 3 320.389 2.144 20 10 DECDHM COC(=O)c1cnc(Sc2cc(Cl)nc(=O)[n-]2)s1 ZINC001651884617 1079838641 /nfs/dbraw/zinc/83/86/41/1079838641.db2.gz YMLNXBOMSPKSSE-UHFFFAOYSA-N -1 3 303.752 2.230 20 10 DECDHM CCCc1n[nH]c(C(=O)NCc2c([O-])cccc2F)c1[N+](=O)[O-] ZINC001652296014 1079864605 /nfs/dbraw/zinc/86/46/05/1079864605.db2.gz ZPMURZFFMHOBPK-UHFFFAOYSA-N -1 3 322.296 2.045 20 10 DECDHM CN(C)C(=O)OC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001659303985 1080236003 /nfs/dbraw/zinc/23/60/03/1080236003.db2.gz DHQQTSGZEPAORF-UHFFFAOYSA-N -1 3 314.332 2.333 20 10 DECDHM O=S(=O)(Cc1cccc(F)c1)NCc1c([O-])cccc1F ZINC001666280849 1081140167 /nfs/dbraw/zinc/14/01/67/1081140167.db2.gz OMEAJWXYUFUZJE-UHFFFAOYSA-N -1 3 313.325 2.290 20 10 DECDHM C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccccc1O ZINC001648891546 1082118201 /nfs/dbraw/zinc/11/82/01/1082118201.db2.gz 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O=C(N[C@H]1COc2cc(F)cc(F)c21)c1cccc(O)c1[O-] ZINC000368451481 534813731 /nfs/dbraw/zinc/81/37/31/534813731.db2.gz WQFQSUVWJIRENF-JTQLQIEISA-N -1 3 307.252 2.240 20 10 DECDHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c([O-])c1O ZINC000182902222 526206371 /nfs/dbraw/zinc/20/63/71/526206371.db2.gz BCGWHLIQSGFNSL-WQVCFCJDSA-N -1 3 317.385 2.484 20 10 DECDHM Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182483686 526536696 /nfs/dbraw/zinc/53/66/96/526536696.db2.gz OXZUQPNLFGPLMB-VIFPVBQESA-N -1 3 304.346 2.372 20 10 DECDHM O=C(Cc1ccccc1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179918049 527279047 /nfs/dbraw/zinc/27/90/47/527279047.db2.gz FEUFXVXSVPVFCV-UHFFFAOYSA-N -1 3 310.397 2.279 20 10 DECDHM Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000820954051 598182474 /nfs/dbraw/zinc/18/24/74/598182474.db2.gz LIETWSBLFQJYJL-VIFPVBQESA-N -1 3 314.179 2.370 20 10 DECDHM Cc1cc(Br)cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000820954051 598182475 /nfs/dbraw/zinc/18/24/75/598182475.db2.gz 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Cn1ncc(Br)c1CNCc1c([O-])cccc1F ZINC000896637958 638620651 /nfs/dbraw/zinc/62/06/51/638620651.db2.gz SRJLWDBPHYOTHX-UHFFFAOYSA-N -1 3 314.158 2.317 20 10 DECDHM Cc1sc(=O)n(CCC(=O)NCc2c([O-])cccc2F)c1C ZINC000928705826 639484763 /nfs/dbraw/zinc/48/47/63/639484763.db2.gz NWZROKHQJVRKJA-UHFFFAOYSA-N -1 3 324.377 2.078 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nnc(C)s2)c1 ZINC000757637286 639862049 /nfs/dbraw/zinc/86/20/49/639862049.db2.gz HFADPBURZWERSX-QMMMGPOBSA-N -1 3 307.375 2.190 20 10 DECDHM C[C@H](NCc1cn(C)nn1)c1ccc(Br)cc1[O-] ZINC000757653906 639865242 /nfs/dbraw/zinc/86/52/42/639865242.db2.gz BMKSFHQYLPXVHK-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM Cc1cc(CC(=O)NCc2cccc(Br)c2[O-])n[nH]1 ZINC000765728757 640812580 /nfs/dbraw/zinc/81/25/80/640812580.db2.gz MSSDAUOWIKXNQM-UHFFFAOYSA-N -1 3 324.178 2.045 20 10 DECDHM Cc1cc(CC(=O)NCc2cccc(Br)c2[O-])[nH]n1 ZINC000765728757 640812582 /nfs/dbraw/zinc/81/25/82/640812582.db2.gz MSSDAUOWIKXNQM-UHFFFAOYSA-N -1 3 324.178 2.045 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@]12C[C@H]1COC21CCC1 ZINC000898674430 641751651 /nfs/dbraw/zinc/75/16/51/641751651.db2.gz KIZUOPCBKJRXCR-MEDUHNTESA-N -1 3 320.364 2.290 20 10 DECDHM CC[C@]1(C)COCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775075933 642003898 /nfs/dbraw/zinc/00/38/98/642003898.db2.gz RFAAEKSQQGZOCW-OAHLLOKOSA-N -1 3 310.350 2.310 20 10 DECDHM COc1c([O-])c(CN2CC(C)(C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775109071 642008065 /nfs/dbraw/zinc/00/80/65/642008065.db2.gz PXRWJVZNINRBMM-JTQLQIEISA-N -1 3 310.350 2.308 20 10 DECDHM CNC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775644217 642071661 /nfs/dbraw/zinc/07/16/61/642071661.db2.gz AQWZMFNTJGOPFM-UHFFFAOYSA-N -1 3 300.761 2.143 20 10 DECDHM COC(=O)c1ccc(CN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000776626339 642193112 /nfs/dbraw/zinc/19/31/12/642193112.db2.gz YWQDYKHHGSVHBE-UHFFFAOYSA-N -1 3 315.325 2.157 20 10 DECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(O)cc2[O-])c1 ZINC000780985070 642699877 /nfs/dbraw/zinc/69/98/77/642699877.db2.gz OKTZOKRRJUYVQH-SECBINFHSA-N -1 3 303.314 2.303 20 10 DECDHM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000781788420 642786491 /nfs/dbraw/zinc/78/64/91/642786491.db2.gz TWLRPCAOTVGWFF-ZDUSSCGKSA-N -1 3 319.279 2.281 20 10 DECDHM C[C@@H](NCc1cnc2n1CCOC2)c1cc(F)cc(F)c1[O-] ZINC000903419726 643351185 /nfs/dbraw/zinc/35/11/85/643351185.db2.gz FYCMRLUCXFRBHC-SECBINFHSA-N -1 3 309.316 2.248 20 10 DECDHM C[C@@]1(CO)CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000789558278 643749652 /nfs/dbraw/zinc/74/96/52/643749652.db2.gz VHXXCLIWMALAKV-ZDUSSCGKSA-N -1 3 300.742 2.301 20 10 DECDHM COC(=O)Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790513234 643860866 /nfs/dbraw/zinc/86/08/66/643860866.db2.gz XHWRDOUIHYXRNF-UHFFFAOYSA-N -1 3 301.298 2.066 20 10 DECDHM Cn1ccnc1[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790512121 643861076 /nfs/dbraw/zinc/86/10/76/643861076.db2.gz SBRRGSWMNNKBRR-OAHLLOKOSA-N -1 3 323.352 2.351 20 10 DECDHM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000790772739 643892184 /nfs/dbraw/zinc/89/21/84/643892184.db2.gz IAZLPJCSGWJRFH-GFCCVEGCSA-N -1 3 301.342 2.121 20 10 DECDHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])c1cccc(O)c1 ZINC000792178875 644085447 /nfs/dbraw/zinc/08/54/47/644085447.db2.gz DRNRUOYMCVEOGR-HNNXBMFYSA-N -1 3 305.305 2.241 20 10 DECDHM C[C@H](O)CN1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000793589685 644277342 /nfs/dbraw/zinc/27/73/42/644277342.db2.gz LYDYFWAVHCCFLS-QWRGUYRKSA-N -1 3 316.804 2.072 20 10 DECDHM COC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1N ZINC000801981438 645472561 /nfs/dbraw/zinc/47/25/61/645472561.db2.gz VHNGFLUKRLNFQW-UHFFFAOYSA-N -1 3 316.313 2.027 20 10 DECDHM O=C(Nc1cnn([C@@H]2CCCCO2)c1)c1cccc(O)c1[O-] ZINC000912570477 646105608 /nfs/dbraw/zinc/10/56/08/646105608.db2.gz STGFVCJGXBEDSJ-ZDUSSCGKSA-N -1 3 303.318 2.246 20 10 DECDHM CC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000809724867 646268126 /nfs/dbraw/zinc/26/81/26/646268126.db2.gz CFXQYXUJYQZRRY-ZWNOBZJWSA-N -1 3 317.838 2.443 20 10 DECDHM CC1(C)[C@@H](O)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000812778262 646693855 /nfs/dbraw/zinc/69/38/55/646693855.db2.gz DKUXSRCPZMFKRK-NSHDSACASA-N -1 3 300.742 2.299 20 10 DECDHM C[C@H](NCc1cnn(C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815626176 647036889 /nfs/dbraw/zinc/03/68/89/647036889.db2.gz XXNZUOWUIRIDLQ-QMMMGPOBSA-N -1 3 300.284 2.390 20 10 DECDHM COc1cc[n-]c(=NNC(=S)Nc2cccc(Cl)c2)n1 ZINC000914704423 647414030 /nfs/dbraw/zinc/41/40/30/647414030.db2.gz KZXYEKOFHJDQHG-UHFFFAOYSA-N -1 3 309.782 2.452 20 10 DECDHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000914845703 647436783 /nfs/dbraw/zinc/43/67/83/647436783.db2.gz KEYUFUMWWWDWOS-UHFFFAOYSA-N -1 3 307.371 2.382 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCC[C@@]12CCCO2 ZINC000924025077 648194197 /nfs/dbraw/zinc/19/41/97/648194197.db2.gz PWRRVJGKEFZAOI-GOEBONIOSA-N -1 3 308.353 2.432 20 10 DECDHM CC(C)C[C@@H](CCO)CNC(=O)NCc1c([O-])cccc1F ZINC000921143597 648276447 /nfs/dbraw/zinc/27/64/47/648276447.db2.gz DFPJGZKBRZUTGR-GFCCVEGCSA-N -1 3 312.385 2.375 20 10 DECDHM Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179461762 648370648 /nfs/dbraw/zinc/37/06/48/648370648.db2.gz RRZVTYOVRAIXLQ-UHFFFAOYSA-N -1 3 300.314 2.066 20 10 DECDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@H]1CCN2CCO[C@H]1C2 ZINC000824501988 648598815 /nfs/dbraw/zinc/59/88/15/648598815.db2.gz VYBKUYWHMBNIBH-JSGCOSHPSA-N -1 3 314.788 2.090 20 10 DECDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cn1 ZINC000184615070 649316117 /nfs/dbraw/zinc/31/61/17/649316117.db2.gz FARIXICTLUBQPK-UHFFFAOYSA-N -1 3 312.322 2.126 20 10 DECDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])Oc1ccccc1F ZINC000185752056 649602286 /nfs/dbraw/zinc/60/22/86/649602286.db2.gz HVLUBSLHYLTDRH-JTQLQIEISA-N -1 3 305.305 2.434 20 10 DECDHM O=C(N[C@@H](CCCO)c1ccccc1)c1cccc(O)c1[O-] ZINC000185863093 649646647 /nfs/dbraw/zinc/64/66/47/649646647.db2.gz CJZABRBUDXKARK-AWEZNQCLSA-N -1 3 301.342 2.341 20 10 DECDHM CCOC(=O)C[C@@H](CNC(=O)c1cccc(O)c1[O-])CC(C)C ZINC000846373309 651327270 /nfs/dbraw/zinc/32/72/70/651327270.db2.gz MYLILPACNCLPLO-LBPRGKRZSA-N -1 3 323.389 2.443 20 10 DECDHM COc1ccc(N2CC[C@H]([N-]C(=O)C(F)(F)C(F)F)C2)cc1 ZINC000855230300 651651771 /nfs/dbraw/zinc/65/17/71/651651771.db2.gz FXSWAVLTSQVLAW-VIFPVBQESA-N -1 3 320.286 2.291 20 10 DECDHM C[C@H](NCc1c([O-])cccc1Br)c1ncnn1C ZINC000858160139 652268681 /nfs/dbraw/zinc/26/86/81/652268681.db2.gz OKBFCRLHBVXAFH-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM CS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000313415663 685305283 /nfs/dbraw/zinc/30/52/83/685305283.db2.gz WGHCTUCOLGWJFY-LLVKDONJSA-N -1 3 317.838 2.302 20 10 DECDHM C[C@@H](C[S@](C)=O)N(C)Cc1cccc(Br)c1[O-] ZINC000130975857 684194774 /nfs/dbraw/zinc/19/47/74/684194774.db2.gz AAQNXZLLFORWPR-HUTHGQBESA-N -1 3 320.252 2.354 20 10 DECDHM O=C(CCCOc1cccnc1)NCc1c([O-])cccc1F ZINC000928706537 693830310 /nfs/dbraw/zinc/83/03/10/693830310.db2.gz WHORRCMUTODIKD-UHFFFAOYSA-N -1 3 304.321 2.402 20 10 DECDHM C[C@H]1CCc2nc(C(=O)NCc3c([O-])cccc3F)cn2C1 ZINC000928707858 693830828 /nfs/dbraw/zinc/83/08/28/693830828.db2.gz DFADKRPKFWVNOY-JTQLQIEISA-N -1 3 303.337 2.240 20 10 DECDHM C[C@]1(Br)C[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711015 693831764 /nfs/dbraw/zinc/83/17/64/693831764.db2.gz ZEVAMGQBKDZPTK-PELKAZGASA-N -1 3 302.143 2.321 20 10 DECDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCCCN(C)C2=O)c1[O-] ZINC000872263585 688967743 /nfs/dbraw/zinc/96/77/43/688967743.db2.gz RBXBEJPEUHCJFQ-OAHLLOKOSA-N -1 3 322.380 2.177 20 10 DECDHM CC(=O)c1cc(F)cc(CN[C@]2(C)CC(C)(C)OC2=O)c1[O-] ZINC000930876039 694260809 /nfs/dbraw/zinc/26/08/09/694260809.db2.gz MIEWFILUNGNLKC-MRXNPFEDSA-N -1 3 309.337 2.308 20 10 DECDHM [O-]c1c(CN2CCOC3(CCOCC3)CC2)ccc(F)c1F ZINC000877400891 690103019 /nfs/dbraw/zinc/10/30/19/690103019.db2.gz XZSNMNKSJMIWJS-UHFFFAOYSA-N -1 3 313.344 2.442 20 10 DECDHM C[C@H](N[C@@H]1CNOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000925862899 693356042 /nfs/dbraw/zinc/35/60/42/693356042.db2.gz ZYEKMJPYTVQORI-POYBYMJQSA-N -1 3 321.602 2.362 20 10 DECDHM C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cc(F)cc(F)c1[O-] ZINC001350316140 1151343423 /nfs/dbraw/zinc/34/34/23/1151343423.db2.gz KFNNFNKKBHNHDE-VIFPVBQESA-N -1 3 300.349 2.405 20 10 DECDHM COc1cc(NC(C)=O)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001446356701 1184317871 /nfs/dbraw/zinc/31/78/71/1184317871.db2.gz RBFTZOSUHBLSAA-UHFFFAOYSA-N -1 3 316.313 2.317 20 10 DECDHM CN(c1ccc(F)cc1[O-])S(=O)(=O)Cc1ccc(N)cc1 ZINC001210016394 776811298 /nfs/dbraw/zinc/81/12/98/776811298.db2.gz JBRJHEMWXXOHQU-UHFFFAOYSA-N -1 3 310.350 2.080 20 10 DECDHM [O-]c1cc(F)c(Br)cc1CN1CCN2CC[C@@H]2C1 ZINC001144308643 790855864 /nfs/dbraw/zinc/85/58/64/790855864.db2.gz RYCKDYOIRMIHJB-SNVBAGLBSA-N -1 3 315.186 2.184 20 10 DECDHM C[C@@H](NCc1ccc(Br)cc1[O-])c1nncn1C ZINC000691466215 785902760 /nfs/dbraw/zinc/90/27/60/785902760.db2.gz XYYIFWTYJAMRPN-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM Cn1nccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001147338099 791508792 /nfs/dbraw/zinc/50/87/92/791508792.db2.gz RNMTZRSIFQLYHM-UHFFFAOYSA-N -1 3 316.748 2.257 20 10 DECDHM O=C(Nc1cnc2ccc(Cl)nn21)c1cccc(O)c1[O-] ZINC001148212911 791711008 /nfs/dbraw/zinc/71/10/08/791711008.db2.gz NQBKNQZCVRCUTK-UHFFFAOYSA-N -1 3 304.693 2.046 20 10 DECDHM O=C(NCCCOc1cccc(F)c1)c1cccc(O)c1[O-] ZINC001148224795 791714093 /nfs/dbraw/zinc/71/40/93/791714093.db2.gz VKGIAAKWBKSNDW-UHFFFAOYSA-N -1 3 305.305 2.436 20 10 DECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001148582535 791777728 /nfs/dbraw/zinc/77/77/28/791777728.db2.gz JYXOKJOLQJTDNS-LBPRGKRZSA-N -1 3 323.242 2.168 20 10 DECDHM CN(c1ccc([O-])c(F)c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001174734784 794056182 /nfs/dbraw/zinc/05/61/82/794056182.db2.gz HXAVMWMRBZBOAB-UHFFFAOYSA-N -1 3 310.350 2.080 20 10 DECDHM COC(=O)[C@H](COC1CCC1)N(C)Cc1cc(F)ccc1[O-] ZINC001179920910 795210753 /nfs/dbraw/zinc/21/07/53/795210753.db2.gz XUSIMACFCRFGJW-AWEZNQCLSA-N -1 3 311.353 2.074 20 10 DECDHM CCOC[C@H]1CN(Cc2c([O-])cccc2F)Cc2cn(C)nc21 ZINC001137834341 796143718 /nfs/dbraw/zinc/14/37/18/796143718.db2.gz CWYNDFKFDBOGSQ-CYBMUJFWSA-N -1 3 319.380 2.401 20 10 DECDHM [O-]c1c(F)cccc1CN1CCN(CCc2ccccn2)CC1 ZINC001138127695 796167371 /nfs/dbraw/zinc/16/73/71/796167371.db2.gz MTELBOBHRQQAQB-UHFFFAOYSA-N -1 3 315.392 2.287 20 10 DECDHM C[C@@]1(O)C[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001185474155 796266793 /nfs/dbraw/zinc/26/67/93/796266793.db2.gz LUMRERNOLBOTBF-HZRBXJLLSA-N -1 3 320.776 2.371 20 10 DECDHM COC[C@H]1Cn2ccnc2CN(Cc2cc(F)ccc2[O-])C1 ZINC001140063693 796472046 /nfs/dbraw/zinc/47/20/46/796472046.db2.gz WEQSGCYYTDCRNM-GFCCVEGCSA-N -1 3 305.353 2.006 20 10 DECDHM [O-]c1cccc(Br)c1CN1C[C@@H](F)C[C@H](CO)C1 ZINC001140098858 796477225 /nfs/dbraw/zinc/47/72/25/796477225.db2.gz PLUUDCYGIRJIJG-UWVGGRQHSA-N -1 3 318.186 2.307 20 10 DECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])[C@H]1CCC=N1 ZINC001187377076 796527158 /nfs/dbraw/zinc/52/71/58/796527158.db2.gz CUEWVYGFLHALJO-GFCCVEGCSA-N -1 3 303.749 2.443 20 10 DECDHM COc1ncnc2c1CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142517445 796747317 /nfs/dbraw/zinc/74/73/17/796747317.db2.gz NHKXWODRNFHTLJ-UHFFFAOYSA-N -1 3 321.327 2.070 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](Oc2cnccn2)C1 ZINC001142530301 796748127 /nfs/dbraw/zinc/74/81/27/796748127.db2.gz CFFWTQFUZUHZQO-NSHDSACASA-N -1 3 307.300 2.114 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccnc(-c2ncc[nH]2)c1 ZINC001156170387 797938140 /nfs/dbraw/zinc/93/81/40/797938140.db2.gz MSGPNSYLQDTOQR-UHFFFAOYSA-N -1 3 312.304 2.246 20 10 DECDHM O=Cc1cccc(OCCC(=O)NCc2c([O-])cccc2F)c1 ZINC001156170379 797938177 /nfs/dbraw/zinc/93/81/77/797938177.db2.gz MMGYFFPBOJUDAC-UHFFFAOYSA-N -1 3 317.316 2.429 20 10 DECDHM COc1cccc(CS(=O)(=O)Nc2ccc([O-])c(F)c2)c1 ZINC001197376593 798184285 /nfs/dbraw/zinc/18/42/85/798184285.db2.gz IVBKYBDEOCCYEO-UHFFFAOYSA-N -1 3 311.334 2.482 20 10 DECDHM Cc1cc([N-]S(=O)(=O)c2ccc3nccnc3c2)ccc1O ZINC001198144793 798289119 /nfs/dbraw/zinc/28/91/19/798289119.db2.gz NJXKALLSZQZOEA-UHFFFAOYSA-N -1 3 315.354 2.445 20 10 DECDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2O)c(F)c1F ZINC001210030960 801324658 /nfs/dbraw/zinc/32/46/58/801324658.db2.gz MIQRVOYPRWKIBB-UHFFFAOYSA-N -1 3 313.325 2.457 20 10 DECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c([O-])c1 ZINC001231455508 801669134 /nfs/dbraw/zinc/66/91/34/801669134.db2.gz QLDRDTSSVVDZQH-HNNXBMFYSA-N -1 3 314.341 2.139 20 10 DECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c([O-])c1 ZINC001231455508 801669135 /nfs/dbraw/zinc/66/91/35/801669135.db2.gz QLDRDTSSVVDZQH-HNNXBMFYSA-N -1 3 314.341 2.139 20 10 DECDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccn3ccnc23)no1 ZINC001215327534 801836477 /nfs/dbraw/zinc/83/64/77/801836477.db2.gz GNQGKAPYHWEGHZ-UHFFFAOYSA-N -1 3 310.269 2.168 20 10 DECDHM Cc1cncnc1O[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336493 802081114 /nfs/dbraw/zinc/08/11/14/802081114.db2.gz NUFAGORKFPKARD-NSHDSACASA-N -1 3 321.327 2.422 20 10 DECDHM CN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CCC1=O ZINC001233418539 802112033 /nfs/dbraw/zinc/11/20/33/802112033.db2.gz LDPVTHJQGVDHNN-UHFFFAOYSA-N -1 3 302.296 2.075 20 10 DECDHM CN1CC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937568 803297396 /nfs/dbraw/zinc/29/73/96/803297396.db2.gz MKVZEEBKPBPBED-CYBMUJFWSA-N -1 3 313.353 2.412 20 10 DECDHM COC(=O)c1c(CN(C)CCC(=O)[O-])c2cc(F)ccc2n1C ZINC001593866702 955583025 /nfs/dbraw/zinc/58/30/25/955583025.db2.gz MLJPOZBKKFWMFL-UHFFFAOYSA-N -1 3 322.336 2.011 20 10 DECDHM COc1ccc([C@H]([NH2+]Cc2ccccc2[O-])C(=O)[O-])c(OC)c1 ZINC001599532697 997686199 /nfs/dbraw/zinc/68/61/99/997686199.db2.gz UYCDHDGBUJPQHE-INIZCTEOSA-N -1 3 317.341 2.325 20 10 DECDHM C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594385228 999462069 /nfs/dbraw/zinc/46/20/69/999462069.db2.gz YPAONVRHQGILSB-OLZOCXBDSA-N -1 3 306.406 2.473 20 10 DECDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1Cc2cccc(O)c2C1 ZINC001606909444 1071238783 /nfs/dbraw/zinc/23/87/83/1071238783.db2.gz VSRZLHFVQJFCPW-UHFFFAOYSA-N -1 3 322.328 2.120 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC001454312168 1057478264 /nfs/dbraw/zinc/47/82/64/1057478264.db2.gz REXYIJDXSUOWMN-QMMMGPOBSA-N -1 3 314.297 2.436 20 10 DECDHM CCOC(OCC)[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001471630212 1060254649 /nfs/dbraw/zinc/25/46/49/1060254649.db2.gz QVJXVKKXICZSHK-JTQLQIEISA-N -1 3 314.357 2.118 20 10 DECDHM CS(=O)(=O)[C@@H]1CCCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001474481774 1060879459 /nfs/dbraw/zinc/87/94/59/1060879459.db2.gz GOMHBRMOLMQGCF-CYBMUJFWSA-N -1 3 317.838 2.445 20 10 DECDHM CO[C@@](C)(CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001624522192 1078223999 /nfs/dbraw/zinc/22/39/99/1078223999.db2.gz LVUMRFAZWVPYFB-KRWDZBQOSA-N -1 3 301.342 2.389 20 10 DECDHM COc1cccn2ncc(C(=O)NCc3c([O-])cccc3F)c12 ZINC001638866844 1078584319 /nfs/dbraw/zinc/58/43/19/1078584319.db2.gz PKIANDIFLBFVND-UHFFFAOYSA-N -1 3 315.304 2.118 20 10 DECDHM CCOC(=O)C1(CNC(=O)NCc2c([O-])cccc2F)CCC1 ZINC001521203136 1069217745 /nfs/dbraw/zinc/21/77/45/1069217745.db2.gz YDJJUJUSCDXRLV-UHFFFAOYSA-N -1 3 324.352 2.064 20 10 DECDHM COc1cccc(OC)c1CNC(=O)c1cccc(O)c1[O-] ZINC001645075454 1078875301 /nfs/dbraw/zinc/87/53/01/1078875301.db2.gz JBYLIIORRFUCHJ-UHFFFAOYSA-N -1 3 303.314 2.045 20 10 DECDHM O=C(C[C@H]1NC(=O)c2ccccc21)NCc1c([O-])cccc1F ZINC001558454199 1075094613 /nfs/dbraw/zinc/09/46/13/1075094613.db2.gz BBCNWIMPPJHVKA-CQSZACIVSA-N -1 3 314.316 2.022 20 10 DECDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001580621448 1075964008 /nfs/dbraw/zinc/96/40/08/1075964008.db2.gz XVQUGEDBCHTEKU-NSHDSACASA-N -1 3 323.356 2.372 20 10 DECDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001580621448 1075964011 /nfs/dbraw/zinc/96/40/11/1075964011.db2.gz XVQUGEDBCHTEKU-NSHDSACASA-N -1 3 323.356 2.372 20 10 DECDHM CN(Cc1csc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC001591151410 1076714835 /nfs/dbraw/zinc/71/48/35/1076714835.db2.gz MJEHANAETUOIPN-UHFFFAOYSA-N -1 3 315.358 2.293 20 10 DECDHM CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C1CC1 ZINC001591326444 1076723642 /nfs/dbraw/zinc/72/36/42/1076723642.db2.gz LDRNMYAHHDIMKV-WMFXKJRFSA-N -1 3 317.393 2.036 20 10 DECDHM Cc1cc(C=C2SC(=S)N(C)C2=O)ccc1-c1nnn[n-]1 ZINC001591958611 1076814604 /nfs/dbraw/zinc/81/46/04/1076814604.db2.gz DROMGSPQRBUGBK-POHAHGRESA-N -1 3 317.399 2.006 20 10 DECDHM Cc1cc(C=C2SC(=S)N(C)C2=O)ccc1-c1nn[n-]n1 ZINC001591958611 1076814608 /nfs/dbraw/zinc/81/46/08/1076814608.db2.gz DROMGSPQRBUGBK-POHAHGRESA-N -1 3 317.399 2.006 20 10 DECDHM Cc1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1-c1nn[n-]n1 ZINC001592165929 1076865956 /nfs/dbraw/zinc/86/59/56/1076865956.db2.gz PFJODISDRHDFQP-UHFFFAOYSA-N -1 3 313.336 2.310 20 10 DECDHM Cc1ccc(O)c(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001592186049 1076872499 /nfs/dbraw/zinc/87/24/99/1076872499.db2.gz IYANSHCDWNIWPH-UHFFFAOYSA-N -1 3 323.356 2.119 20 10 DECDHM Cc1ccc(O)c(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001592186049 1076872502 /nfs/dbraw/zinc/87/25/02/1076872502.db2.gz IYANSHCDWNIWPH-UHFFFAOYSA-N -1 3 323.356 2.119 20 10 DECDHM COc1ccc([C@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])cc1 ZINC001610325769 1078004024 /nfs/dbraw/zinc/00/40/24/1078004024.db2.gz UIVNTCQKMLUQDZ-HNNXBMFYSA-N -1 3 305.305 2.455 20 10 DECDHM C[C@@](O)(C(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001652298871 1079865821 /nfs/dbraw/zinc/86/58/21/1079865821.db2.gz RSGRARKTXUMOGX-INIZCTEOSA-N -1 3 307.296 2.194 20 10 DECDHM C[C@@H](CS(C)(=O)=O)N(Cc1ccc(Cl)cc1[O-])C1CC1 ZINC001659123916 1080231036 /nfs/dbraw/zinc/23/10/36/1080231036.db2.gz MZMABMJVTHFWIZ-JTQLQIEISA-N -1 3 317.838 2.443 20 10 DECDHM C[C@@](CO)(NCc1cc(F)c(F)cc1[O-])c1cccc(O)c1 ZINC001660328065 1080311506 /nfs/dbraw/zinc/31/15/06/1080311506.db2.gz YUCUMCDDCXXDQW-INIZCTEOSA-N -1 3 309.312 2.373 20 10 DECDHM C[C@@]1(O)COCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078906 1080442318 /nfs/dbraw/zinc/44/23/18/1080442318.db2.gz ZRGJCSRGVOSUFX-ZDUSSCGKSA-N -1 3 306.189 2.282 20 10 DECDHM CS(C)(=O)=NCC1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001665705928 1081067798 /nfs/dbraw/zinc/06/77/98/1081067798.db2.gz OVSJCZXYZOZNNT-UHFFFAOYSA-N -1 3 314.426 2.471 20 10 DECDHM COC(CN(C)Cc1cc(Br)cc(F)c1[O-])OC ZINC001235069553 1084297294 /nfs/dbraw/zinc/29/72/94/1084297294.db2.gz WGCJMODVVKLUGK-UHFFFAOYSA-N -1 3 322.174 2.345 20 10 DECDHM CN(C)C1CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235296019 1084376858 /nfs/dbraw/zinc/37/68/58/1084376858.db2.gz GWHJSXNXKSFHIG-UHFFFAOYSA-N -1 3 303.175 2.040 20 10 DECDHM CN1CC[C@]2(CCCN2Cc2cc(F)c(Cl)cc2[O-])C1=O ZINC001274063031 1093786421 /nfs/dbraw/zinc/78/64/21/1093786421.db2.gz FXLVSJQICYIHFU-OAHLLOKOSA-N -1 3 312.772 2.381 20 10 DECDHM COc1cc([O-])c(CN2CCCC3(C2)OCCO3)c(Cl)c1 ZINC001236803377 1138432642 /nfs/dbraw/zinc/43/26/42/1138432642.db2.gz MZVQBTZXJQDWHA-UHFFFAOYSA-N -1 3 313.781 2.393 20 10 DECDHM O=C(NC[C@@H]1CSc2ccccc2O1)c1cccc(O)c1[O-] ZINC001299899343 1140162998 /nfs/dbraw/zinc/16/29/98/1140162998.db2.gz BMOZDTDNTLBVBN-SNVBAGLBSA-N -1 3 317.366 2.381 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(CCC(N)=O)cc2)c([O-])c1O ZINC001323604898 1141869071 /nfs/dbraw/zinc/86/90/71/1141869071.db2.gz CXFSQDBVYIWJNA-UHFFFAOYSA-N -1 3 314.341 2.076 20 10 DECDHM Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC001340179678 1143288647 /nfs/dbraw/zinc/28/86/47/1143288647.db2.gz STYMDGWUUISODE-VIFPVBQESA-N -1 3 305.353 2.366 20 10 DECDHM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1c([O-])cccc1F ZINC001303877797 1144189388 /nfs/dbraw/zinc/18/93/88/1144189388.db2.gz HOBKUOAJZZSLPT-UHFFFAOYSA-N -1 3 320.276 2.378 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(COCCO)cc2)c([O-])c1O ZINC001299711110 1144211850 /nfs/dbraw/zinc/21/18/50/1144211850.db2.gz NNYHWCAUZXEQCT-UHFFFAOYSA-N -1 3 317.341 2.167 20 10 DECDHM NC(=O)NC(=O)c1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001308713398 1147484138 /nfs/dbraw/zinc/48/41/38/1147484138.db2.gz YCRGDIPUQLSNCL-UHFFFAOYSA-N -1 3 321.283 2.091 20 10 DECDHM COC(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079384916 185167757 /nfs/dbraw/zinc/16/77/57/185167757.db2.gz KTENYDKUZLCVMZ-UHFFFAOYSA-N -1 3 309.337 2.119 20 10 DECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCO1 ZINC000264705978 291080641 /nfs/dbraw/zinc/08/06/41/291080641.db2.gz LCYCYNDBXLCWEC-ZDUSSCGKSA-N -1 3 313.781 2.200 20 10 DECDHM COC(=O)[C@@H]1CN(C(=O)/C=C/c2cncc([O-])c2)c2ccccc21 ZINC000182007884 356105269 /nfs/dbraw/zinc/10/52/69/356105269.db2.gz XNPNDYDIPFSZOX-LQYUOIDQSA-N -1 3 324.336 2.104 20 10 DECDHM Cc1ccc(C(=O)NCc2ccc([C@@H](C)O)c(C)n2)c([O-])c1O ZINC000272978936 130079101 /nfs/dbraw/zinc/07/91/01/130079101.db2.gz LRTWJTOXIRCXCN-LLVKDONJSA-N -1 3 316.357 2.093 20 10 DECDHM O=C(NC1CC1)N[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000273731367 130159307 /nfs/dbraw/zinc/15/93/07/130159307.db2.gz KDLXRCUANNXQBR-GFCCVEGCSA-N -1 3 309.797 2.082 20 10 DECDHM CN(CCCNC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000274928070 130274457 /nfs/dbraw/zinc/27/44/57/130274457.db2.gz ZVCSQMKWOWZSHN-UHFFFAOYSA-N -1 3 324.377 2.085 20 10 DECDHM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(F)ccc2[O-])C1 ZINC000289275274 131370332 /nfs/dbraw/zinc/37/03/32/131370332.db2.gz GRPWMBBGDBUDGI-ZDUSSCGKSA-N -1 3 321.270 2.459 20 10 DECDHM C[C@@H](CS(C)(=O)=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000078639887 401859955 /nfs/dbraw/zinc/85/99/55/401859955.db2.gz DLOGZPSUXCGBLI-ZETCQYMHSA-N -1 3 312.218 2.222 20 10 DECDHM NC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000155015305 402242184 /nfs/dbraw/zinc/24/21/84/402242184.db2.gz SGMGDUUAQMPRPY-MRVPVSSYSA-N -1 3 303.189 2.396 20 10 DECDHM CS(=O)(=O)C[C@@H](NCc1cc(F)ccc1[O-])c1ccccc1 ZINC000184945867 402311351 /nfs/dbraw/zinc/31/13/51/402311351.db2.gz QJHYGBVRKBKXLY-OAHLLOKOSA-N -1 3 323.389 2.407 20 10 DECDHM Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c([O-])c1O ZINC000177658886 402423862 /nfs/dbraw/zinc/42/38/62/402423862.db2.gz GRSILNPOJFEMDC-UHFFFAOYSA-N -1 3 312.369 2.369 20 10 DECDHM CCCOc1ccc(CN2CCO[C@@]3(CCOC3)C2)c([O-])c1 ZINC000187532753 402503818 /nfs/dbraw/zinc/50/38/18/402503818.db2.gz MKLRMHZQCOBCEN-KRWDZBQOSA-N -1 3 307.390 2.172 20 10 DECDHM Cc1ccc(C(=O)NC[C@](C)(O)c2cccs2)c([O-])c1O ZINC000179528524 402593627 /nfs/dbraw/zinc/59/36/27/402593627.db2.gz UQZAFACLQXHOSO-HNNXBMFYSA-N -1 3 307.371 2.105 20 10 DECDHM Cc1ccc(C(=O)Nc2nc3c(s2)COCC3)c([O-])c1O ZINC000182319947 402680812 /nfs/dbraw/zinc/68/08/12/402680812.db2.gz HOQWIMODLBUMHS-UHFFFAOYSA-N -1 3 306.343 2.188 20 10 DECDHM CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@H](C)O1 ZINC000278163993 402861495 /nfs/dbraw/zinc/86/14/95/402861495.db2.gz DVZNREHSCGEPMS-PWSUYJOCSA-N -1 3 310.350 2.308 20 10 DECDHM Cc1cc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)[nH]n1 ZINC000279757783 402961479 /nfs/dbraw/zinc/96/14/79/402961479.db2.gz DKMSPTITBWNAPL-UHFFFAOYSA-N -1 3 301.346 2.149 20 10 DECDHM COc1c([O-])c(CN2CCC[C@](C)(OC)C2)ccc1[N+](=O)[O-] ZINC000279745119 402961818 /nfs/dbraw/zinc/96/18/18/402961818.db2.gz XWBPBFPCQMWLEN-HNNXBMFYSA-N -1 3 310.350 2.310 20 10 DECDHM COC[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCCO1 ZINC000279141207 402908748 /nfs/dbraw/zinc/90/87/48/402908748.db2.gz XKZRKKULJXHNRV-GJZGRUSLSA-N -1 3 311.353 2.018 20 10 DECDHM Cc1ccc(C(=O)N[C@H]2CCCC23CCOCC3)c([O-])c1O ZINC000282386975 403149252 /nfs/dbraw/zinc/14/92/52/403149252.db2.gz GWPVCCKJVXXHMF-ZDUSSCGKSA-N -1 3 305.374 2.485 20 10 DECDHM CC(C)C(=O)NCCN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000294133107 403655520 /nfs/dbraw/zinc/65/55/20/403655520.db2.gz HADJVEBJVFQSRZ-UHFFFAOYSA-N -1 3 302.777 2.389 20 10 DECDHM CN(C)C(=O)[C@H]1CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000294823963 403735050 /nfs/dbraw/zinc/73/50/50/403735050.db2.gz GMPUFZSIPWVEAM-GFCCVEGCSA-N -1 3 300.761 2.237 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000369146212 403983103 /nfs/dbraw/zinc/98/31/03/403983103.db2.gz XAGZEZJZVGFVBH-QWHCGFSZSA-N -1 3 305.374 2.377 20 10 DECDHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)c([O-])c1O ZINC000295768711 404012685 /nfs/dbraw/zinc/01/26/85/404012685.db2.gz CLDOSSDVJVXFLB-CQSZACIVSA-N -1 3 315.373 2.363 20 10 DECDHM CCCN(Cc1noc(CCOC)n1)Cc1ccccc1[O-] ZINC000290023987 404015487 /nfs/dbraw/zinc/01/54/87/404015487.db2.gz PQUFQPZUUBFPSN-UHFFFAOYSA-N -1 3 305.378 2.376 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nnc(C(C)C)[nH]2)c1 ZINC000296625743 404312266 /nfs/dbraw/zinc/31/22/66/404312266.db2.gz XCFFGPNJEYUQHI-SNVBAGLBSA-N -1 3 318.377 2.271 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2n[nH]c(C(C)C)n2)c1 ZINC000296625743 404312273 /nfs/dbraw/zinc/31/22/73/404312273.db2.gz XCFFGPNJEYUQHI-SNVBAGLBSA-N -1 3 318.377 2.271 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC(F)(F)[C@H](CO)C2)c1[O-] ZINC000291863682 404556114 /nfs/dbraw/zinc/55/61/14/404556114.db2.gz PMCMUPZPITWNQW-NSHDSACASA-N -1 3 317.307 2.183 20 10 DECDHM COc1cc(Cl)cc(CN(C)[C@@H](C)C[S@@](C)=O)c1[O-] ZINC000187826920 533954093 /nfs/dbraw/zinc/95/40/93/533954093.db2.gz SOFMUMHKMZHYBG-ZRNGKTOUSA-N -1 3 305.827 2.253 20 10 DECDHM O=C(c1ccco1)N1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC000374917523 534757693 /nfs/dbraw/zinc/75/76/93/534757693.db2.gz QWRYSBXJXODFAH-UHFFFAOYSA-N -1 3 318.348 2.472 20 10 DECDHM C[C@H](C[S@](C)=O)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000130973467 524673562 /nfs/dbraw/zinc/67/35/62/524673562.db2.gz CWQCAYLWSGVUKQ-ZPWHCFADSA-N -1 3 320.798 2.153 20 10 DECDHM Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000820953816 598182605 /nfs/dbraw/zinc/18/26/05/598182605.db2.gz FNVAYWANRBGRKH-QMMMGPOBSA-N -1 3 302.168 2.368 20 10 DECDHM Cc1cc(Br)cc(C[N@H+](C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000820953816 598182606 /nfs/dbraw/zinc/18/26/06/598182606.db2.gz FNVAYWANRBGRKH-QMMMGPOBSA-N -1 3 302.168 2.368 20 10 DECDHM COc1cc(O)c(CN2CCCC[C@@H]2CNC(=O)[O-])cc1OC ZINC000833887345 605989180 /nfs/dbraw/zinc/98/91/80/605989180.db2.gz FCRRZVNWDKKHJV-GFCCVEGCSA-N -1 3 324.377 2.032 20 10 DECDHM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000821589173 606062645 /nfs/dbraw/zinc/06/26/45/606062645.db2.gz ACNKXCYTEDVSCP-UHFFFAOYSA-N -1 3 313.340 2.079 20 10 DECDHM CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000821589173 606062650 /nfs/dbraw/zinc/06/26/50/606062650.db2.gz ACNKXCYTEDVSCP-UHFFFAOYSA-N -1 3 313.340 2.079 20 10 DECDHM Oc1ccccc1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826511474 608376838 /nfs/dbraw/zinc/37/68/38/608376838.db2.gz RPQLXSPGKWEGCX-UHFFFAOYSA-N -1 3 303.272 2.463 20 10 DECDHM Oc1ccccc1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826511474 608376839 /nfs/dbraw/zinc/37/68/39/608376839.db2.gz RPQLXSPGKWEGCX-UHFFFAOYSA-N -1 3 303.272 2.463 20 10 DECDHM Cc1cc(N(C)C)ccc1CNc1cnccc1-c1nnn[n-]1 ZINC000826268516 608784567 /nfs/dbraw/zinc/78/45/67/608784567.db2.gz ATRLJPRNMSYZPC-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM Cc1cc(N(C)C)ccc1CNc1cnccc1-c1nn[n-]n1 ZINC000826268516 608784569 /nfs/dbraw/zinc/78/45/69/608784569.db2.gz ATRLJPRNMSYZPC-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000890595257 622759970 /nfs/dbraw/zinc/75/99/70/622759970.db2.gz OHDQYSULYQIZBQ-PWSUYJOCSA-N -1 3 321.373 2.338 20 10 DECDHM CCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179427330 625647971 /nfs/dbraw/zinc/64/79/71/625647971.db2.gz CKQVFZUSJNXXCV-UHFFFAOYSA-N -1 3 314.341 2.408 20 10 DECDHM CCCc1ncc(CNC(=O)NCc2c([O-])cccc2F)o1 ZINC000922753722 636376335 /nfs/dbraw/zinc/37/63/35/636376335.db2.gz IDENRTHVHORSJQ-UHFFFAOYSA-N -1 3 307.325 2.471 20 10 DECDHM O=C(Nc1nnc(-c2ccccn2)s1)c1cccc(O)c1[O-] ZINC000186996470 636664229 /nfs/dbraw/zinc/66/42/29/636664229.db2.gz UYGBDMQEZFQDNM-UHFFFAOYSA-N -1 3 314.326 2.264 20 10 DECDHM [O-]c1c(F)cc(F)cc1CN1CCOCC2(CCOCC2)C1 ZINC000894448096 637044038 /nfs/dbraw/zinc/04/40/38/637044038.db2.gz BIWIPYHQSFVJMD-UHFFFAOYSA-N -1 3 313.344 2.299 20 10 DECDHM C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])[C@@H]1CO ZINC000894533463 637093490 /nfs/dbraw/zinc/09/34/90/637093490.db2.gz MSLILADODOAQFB-PRHODGIISA-N -1 3 318.186 2.497 20 10 DECDHM CN(CCOCc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000187182995 637219915 /nfs/dbraw/zinc/21/99/15/637219915.db2.gz OFWUUMIWRDBPAM-UHFFFAOYSA-N -1 3 301.342 2.387 20 10 DECDHM CCn1ccc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])n1 ZINC000840839994 650365213 /nfs/dbraw/zinc/36/52/13/650365213.db2.gz CPLLUKLHAQORDL-LLVKDONJSA-N 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[O-]c1ccc(-c2nnc(C3CC3)o2)cc1CN1CCOCC1 ZINC001254125979 1143042720 /nfs/dbraw/zinc/04/27/20/1143042720.db2.gz ILUAWYKMMILVLU-UHFFFAOYSA-N -1 3 301.346 2.152 20 10 DECDHM COc1ccc(CNCc2cc(F)c(F)cc2[O-])c(OC)n1 ZINC001308803444 1147486421 /nfs/dbraw/zinc/48/64/21/1147486421.db2.gz VCKVERBKGZCSIN-UHFFFAOYSA-N -1 3 310.300 2.372 20 10 DECDHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCc2c([O-])cccc2F)C1(C)C ZINC001312370745 1147549277 /nfs/dbraw/zinc/54/92/77/1147549277.db2.gz WYDSFXSNBXWAPZ-OWYVNGRQSA-N -1 3 310.369 2.390 20 10 DECDHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001325246476 1147887472 /nfs/dbraw/zinc/88/74/72/1147887472.db2.gz DAIUSGUSNQXOKH-NXEZZACHSA-N -1 3 324.377 2.129 20 10 DECDHM COCCn1cc(CN[C@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC001327069255 1148320312 /nfs/dbraw/zinc/32/03/12/1148320312.db2.gz STRIBGXQYBEURU-SNVBAGLBSA-N -1 3 311.332 2.364 20 10 DECDHM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cccc(O)c1[O-] ZINC000193072704 295855127 /nfs/dbraw/zinc/85/51/27/295855127.db2.gz 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302.777 2.485 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000369146213 403983387 /nfs/dbraw/zinc/98/33/87/403983387.db2.gz XAGZEZJZVGFVBH-STQMWFEESA-N -1 3 305.374 2.377 20 10 DECDHM [O-]c1c(Cl)cccc1CN[C@H]1CCCc2c1cnn2CCO ZINC000317390720 404036770 /nfs/dbraw/zinc/03/67/70/404036770.db2.gz VTMGLCCLRHFEJH-AWEZNQCLSA-N -1 3 321.808 2.402 20 10 DECDHM O=C1CC2(CN1)CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000365231920 404576793 /nfs/dbraw/zinc/57/67/93/404576793.db2.gz ADKSIFHFSWTGIX-UHFFFAOYSA-N -1 3 312.772 2.287 20 10 DECDHM C[C@H]1CCS(=O)(=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000192056237 533680039 /nfs/dbraw/zinc/68/00/39/533680039.db2.gz XXJHJJFCYSHOJI-JTQLQIEISA-N -1 3 303.811 2.055 20 10 DECDHM Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000286322802 424891915 /nfs/dbraw/zinc/89/19/15/424891915.db2.gz HKQGDYPYTYLAEC-LBPRGKRZSA-N -1 3 317.345 2.465 20 10 DECDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCCCNC1=O ZINC000365267562 523157905 /nfs/dbraw/zinc/15/79/05/523157905.db2.gz 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C[C@H](Cc1cccnc1)NC(=O)NCc1c([O-])cccc1F ZINC000898311199 641098040 /nfs/dbraw/zinc/09/80/40/641098040.db2.gz PMWFPWDTNGBBMS-LLVKDONJSA-N -1 3 303.337 2.357 20 10 DECDHM COc1ccc(O)c([C@H](C)NC(=O)c2c([O-])cccc2O)c1 ZINC000770408853 641366281 /nfs/dbraw/zinc/36/62/81/641366281.db2.gz RPYOCXCMMJMJLP-VIFPVBQESA-N -1 3 303.314 2.303 20 10 DECDHM COc1c([O-])c([C@@H]2Nc3ccccc3C(=O)N2)ccc1[N+](=O)[O-] ZINC000772174328 641608169 /nfs/dbraw/zinc/60/81/69/641608169.db2.gz ACNOZLAJAXUZOE-CQSZACIVSA-N -1 3 315.285 2.163 20 10 DECDHM COCCN(Cc1ccnn1C)Cc1cc(Cl)ccc1[O-] ZINC000787332588 643484390 /nfs/dbraw/zinc/48/43/90/643484390.db2.gz REGWLGLKXNXHSR-UHFFFAOYSA-N -1 3 309.797 2.428 20 10 DECDHM O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cccc(O)c1[O-] ZINC000790774687 643892106 /nfs/dbraw/zinc/89/21/06/643892106.db2.gz ZZNNXCXKGABLIX-HNNXBMFYSA-N -1 3 323.352 2.466 20 10 DECDHM Cn1c(NC(=O)c2cccc(O)c2[O-])nc2c1cccc2F ZINC000790879481 643905210 /nfs/dbraw/zinc/90/52/10/643905210.db2.gz VOQICOLVAFMWJT-UHFFFAOYSA-N 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C[C@@H](NCc1ccc(F)c(F)c1[O-])C(=O)NCc1ccco1 ZINC000877150318 690030589 /nfs/dbraw/zinc/03/05/89/690030589.db2.gz OPOQSSFUKMMTLQ-SECBINFHSA-N -1 3 310.300 2.058 20 10 DECDHM [O-]c1c(CN[C@]2(CO)CCOc3ccccc32)ccc(F)c1F ZINC000877499250 690132592 /nfs/dbraw/zinc/13/25/92/690132592.db2.gz NFXBKRMKSRXHHS-KRWDZBQOSA-N -1 3 321.323 2.430 20 10 DECDHM COC(=O)[C@@H]1CSCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877593348 690161325 /nfs/dbraw/zinc/16/13/25/690161325.db2.gz STKBIQQLQFDWPZ-JTQLQIEISA-N -1 3 317.357 2.008 20 10 DECDHM [O-]c1ccc(Cl)cc1CNCc1cn(C[C@H]2CCCO2)nn1 ZINC000877612769 690167118 /nfs/dbraw/zinc/16/71/18/690167118.db2.gz NZPGIQHHJLIVSR-CQSZACIVSA-N -1 3 322.796 2.106 20 10 DECDHM CONC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000877785696 690228600 /nfs/dbraw/zinc/22/86/00/690228600.db2.gz COXNBIPZDXKOFC-UHFFFAOYSA-N -1 3 316.760 2.074 20 10 DECDHM C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1c([O-])cccc1F ZINC000886548225 692107029 /nfs/dbraw/zinc/10/70/29/692107029.db2.gz ZIVMFTYKOQEUBB-WCBMZHEXSA-N 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QRIYEBDLJYYIHB-UHFFFAOYSA-N -1 3 305.305 2.257 20 10 DECDHM Cc1ccc(CNC(=O)c2cc(O)c([O-])c(O)c2)c(F)c1F ZINC001148589642 791778848 /nfs/dbraw/zinc/77/88/48/791778848.db2.gz FVKOBTXGQNZTSU-UHFFFAOYSA-N -1 3 309.268 2.320 20 10 DECDHM C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccccc1[O-] ZINC001138926934 796303338 /nfs/dbraw/zinc/30/33/38/796303338.db2.gz VUGICFZFQQGCLT-UHFFFAOYSA-N -1 3 301.342 2.488 20 10 DECDHM C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccccc1[O-] ZINC001138926934 796303347 /nfs/dbraw/zinc/30/33/47/796303347.db2.gz VUGICFZFQQGCLT-UHFFFAOYSA-N -1 3 301.342 2.488 20 10 DECDHM CO[C@H]1CN(Cc2c([O-])cccc2Br)C[C@@H]1F ZINC001140098501 796477492 /nfs/dbraw/zinc/47/74/92/796477492.db2.gz CCVHPHNQQPVIJG-JQWIXIFHSA-N -1 3 304.159 2.323 20 10 DECDHM COc1ncnc2c1CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140581077 796540564 /nfs/dbraw/zinc/54/05/64/796540564.db2.gz POAVDYQHKZXTDQ-UHFFFAOYSA-N -1 3 321.327 2.070 20 10 DECDHM C[C@@H]1CN(C2CN(Cc3cc(Cl)ccc3[O-])C2)C[C@@H](C)O1 ZINC001203665602 796560155 /nfs/dbraw/zinc/56/01/55/796560155.db2.gz PAKKJVDPJMKHKG-VXGBXAGGSA-N -1 3 310.825 2.339 20 10 DECDHM O=C(c1ccc(O)c([O-])c1Cl)N1CCC(c2c[nH]cn2)CC1 ZINC001193231927 797526920 /nfs/dbraw/zinc/52/69/20/797526920.db2.gz BITLXBSGNUTIAZ-UHFFFAOYSA-N -1 3 321.764 2.494 20 10 DECDHM CCOC(=O)CC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231449912 801667817 /nfs/dbraw/zinc/66/78/17/801667817.db2.gz NPQQZLSZYXVDBA-UHFFFAOYSA-N -1 3 321.373 2.256 20 10 DECDHM CCn1cc(CNCc2cccc(Br)c2[O-])nn1 ZINC000404468829 802022081 /nfs/dbraw/zinc/02/20/81/802022081.db2.gz ZECDTXPPXQWJBP-UHFFFAOYSA-N -1 3 311.183 2.056 20 10 DECDHM CCOC1CN(Cc2cc(Br)c(OC)cc2[O-])C1 ZINC001233135148 802034609 /nfs/dbraw/zinc/03/46/09/802034609.db2.gz MINOJXIWRDWTLE-UHFFFAOYSA-N -1 3 316.195 2.384 20 10 DECDHM CC(=O)N[C@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419092 802112929 /nfs/dbraw/zinc/11/29/29/802112929.db2.gz JCJRDDROUDGNQC-NSHDSACASA-N -1 3 302.296 2.121 20 10 DECDHM O=C(NCc1ccc([O-])c(F)c1)N1Cc2cccc(O)c2C1 ZINC001228625681 803381859 /nfs/dbraw/zinc/38/18/59/803381859.db2.gz CXXCJTRIBQBJKF-UHFFFAOYSA-N -1 3 302.305 2.462 20 10 DECDHM C[C@@H]([NH2+]CCNc1ccccn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273345 994618523 /nfs/dbraw/zinc/61/85/23/994618523.db2.gz WOJHHIXVNBQOSP-LLVKDONJSA-N -1 3 301.346 2.248 20 10 DECDHM Cc1cc(NCc2ccc(N(C)C)cc2)ncc1-c1nnn[n-]1 ZINC001605739320 1070886336 /nfs/dbraw/zinc/88/63/36/1070886336.db2.gz DXLHSVXPEXQDLP-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM Cc1cc(NCc2ccc(N(C)C)cc2)ncc1-c1nn[n-]n1 ZINC001605739320 1070886357 /nfs/dbraw/zinc/88/63/57/1070886357.db2.gz DXLHSVXPEXQDLP-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCn3c(C)nnc3[C@@H]2C)c1[O-] ZINC001460984904 1058561588 /nfs/dbraw/zinc/56/15/88/1058561588.db2.gz GCZJZCGCVJCGLR-VIFPVBQESA-N -1 3 318.352 2.211 20 10 DECDHM Cn1ccnc1[C@@H](NCc1cccc(F)c1[O-])C(C)(C)CO ZINC001474538846 1060890010 /nfs/dbraw/zinc/89/00/10/1060890010.db2.gz XKBDYSVWOZFNGO-CQSZACIVSA-N -1 3 307.369 2.114 20 10 DECDHM O=C(NCc1ccc2cccnc2c1O)c1ccc(O)cc1[O-] ZINC001627073783 1078269349 /nfs/dbraw/zinc/26/93/49/1078269349.db2.gz ULFDZABYVLPLHN-UHFFFAOYSA-N -1 3 310.309 2.282 20 10 DECDHM CCc1[nH]c(=O)c(C(=O)NCc2c([O-])cccc2F)cc1C ZINC001635366753 1078448973 /nfs/dbraw/zinc/44/89/73/1078448973.db2.gz KOXKDDIJSDMKCE-UHFFFAOYSA-N -1 3 304.321 2.433 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1c2c(ccc1F)OCO2 ZINC001638866675 1078584770 /nfs/dbraw/zinc/58/47/70/1078584770.db2.gz IXAHOKUXRFYHHG-UHFFFAOYSA-N -1 3 307.252 2.329 20 10 DECDHM Cn1nnnc1-c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001560931395 1075148157 /nfs/dbraw/zinc/14/81/57/1075148157.db2.gz GNDKAIGGCYSKEY-UHFFFAOYSA-N -1 3 317.299 2.473 20 10 DECDHM C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589901504 1076526703 /nfs/dbraw/zinc/52/67/03/1076526703.db2.gz POUXEPNGJYFVJN-RYUDHWBXSA-N -1 3 324.388 2.249 20 10 DECDHM CC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462467 1076631402 /nfs/dbraw/zinc/63/14/02/1076631402.db2.gz CQKUVAIOZJBCSB-UONOGXRCSA-N -1 3 317.393 2.038 20 10 DECDHM C[C@H](NC(=O)c1csc(-c2nnn[n-]2)c1)c1ccccc1O ZINC001591769541 1076780688 /nfs/dbraw/zinc/78/06/88/1076780688.db2.gz YULGWZRJUIIVTK-QMMMGPOBSA-N -1 3 315.358 2.125 20 10 DECDHM c1cc(N2CCCC2)ccc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001593559822 1077029483 /nfs/dbraw/zinc/02/94/83/1077029483.db2.gz SEINJHVNWMCWRS-UHFFFAOYSA-N -1 3 321.388 2.474 20 10 DECDHM c1cc(N2CCCC2)ccc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001593559822 1077029487 /nfs/dbraw/zinc/02/94/87/1077029487.db2.gz SEINJHVNWMCWRS-UHFFFAOYSA-N -1 3 321.388 2.474 20 10 DECDHM CC(=O)Nc1cccc(CC(=O)NCc2c([O-])cccc2F)c1 ZINC001596910912 1077084560 /nfs/dbraw/zinc/08/45/60/1077084560.db2.gz ARHRQRNKESVHFM-UHFFFAOYSA-N -1 3 316.332 2.349 20 10 DECDHM O=C([O-])[C@H](CF)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC001608534270 1077651322 /nfs/dbraw/zinc/65/13/22/1077651322.db2.gz ROWKMHRKGFGUHY-HNNXBMFYSA-N -1 3 319.332 2.484 20 10 DECDHM C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781106 1077922096 /nfs/dbraw/zinc/92/20/96/1077922096.db2.gz WILFYLNYTCXAAD-SNVBAGLBSA-N -1 3 309.362 2.473 20 10 DECDHM Cc1cnc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC001610539927 1078037450 /nfs/dbraw/zinc/03/74/50/1078037450.db2.gz YXSLQVCPEYZVIB-NSHDSACASA-N -1 3 301.346 2.082 20 10 DECDHM CC(C)c1nc([C@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC001657728292 1080183473 /nfs/dbraw/zinc/18/34/73/1080183473.db2.gz JIPLLSXFYMFWOB-VIFPVBQESA-N -1 3 305.338 2.393 20 10 DECDHM CCCNC(=O)CN(CCC)Cc1cc(F)c(F)cc1[O-] ZINC001659069556 1080229399 /nfs/dbraw/zinc/22/93/99/1080229399.db2.gz AHEQHMWZTXSFJM-UHFFFAOYSA-N -1 3 300.349 2.409 20 10 DECDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc(Cl)nc1 ZINC001664351613 1080899873 /nfs/dbraw/zinc/89/98/73/1080899873.db2.gz IPZZZXLKWXSHEV-UHFFFAOYSA-N -1 3 316.741 2.058 20 10 DECDHM CNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001273378924 1091114039 /nfs/dbraw/zinc/11/40/39/1091114039.db2.gz RDWLXNFQKXSZSG-NSHDSACASA-N -1 3 310.344 2.019 20 10 DECDHM COC(=O)[C@@H]1CCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250120700 1091874391 /nfs/dbraw/zinc/87/43/91/1091874391.db2.gz NGNJEMLAHRBBEK-NSHDSACASA-N -1 3 314.179 2.210 20 10 DECDHM COc1cc([O-])c(CN2CCCC(=O)C2)c(Br)c1 ZINC001237073951 1138497574 /nfs/dbraw/zinc/49/75/74/1138497574.db2.gz YDNRJKMTRHJDST-UHFFFAOYSA-N -1 3 314.179 2.328 20 10 DECDHM CN(C)c1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC001339516777 1143046694 /nfs/dbraw/zinc/04/66/94/1143046694.db2.gz AGZCYUZWFMXFPL-UHFFFAOYSA-N -1 3 300.358 2.136 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccccc1-n1ccnn1 ZINC001303875362 1147337094 /nfs/dbraw/zinc/33/70/94/1147337094.db2.gz FTXXMVARAZXNAC-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM C[C@@H]1[C@@H](CO)CCN1Cc1cc(Br)cc(F)c1[O-] ZINC001308724554 1147484233 /nfs/dbraw/zinc/48/42/33/1147484233.db2.gz SYCRNSGKNOPDKV-RKDXNWHRSA-N -1 3 318.186 2.497 20 10 DECDHM CCCOc1ccc(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000092703380 185334112 /nfs/dbraw/zinc/33/41/12/185334112.db2.gz ABVNIIDEQWZBAT-CVEARBPZSA-N -1 3 318.417 2.424 20 10 DECDHM Cc1ccc(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)c([O-])c1O ZINC000272665767 130051600 /nfs/dbraw/zinc/05/16/00/130051600.db2.gz OAHGYEWSDVHUQC-CYBMUJFWSA-N -1 3 314.341 2.314 20 10 DECDHM Cc1ccc(C(=O)N2CCC(n3ccnc3)CC2)c([O-])c1O ZINC000272731588 130058705 /nfs/dbraw/zinc/05/87/05/130058705.db2.gz HBKZJIKDBTZNGX-UHFFFAOYSA-N -1 3 301.346 2.080 20 10 DECDHM Cc1cc(C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)[nH]n1 ZINC000273041038 130084729 /nfs/dbraw/zinc/08/47/29/130084729.db2.gz VHTKCBRWTKBIEN-UHFFFAOYSA-N -1 3 315.373 2.458 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cnn(C)c2C)c1 ZINC000273521447 130131978 /nfs/dbraw/zinc/13/19/78/130131978.db2.gz UJAQNGKGMVNKDO-SNVBAGLBSA-N -1 3 303.362 2.072 20 10 DECDHM C[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273546565 130135428 /nfs/dbraw/zinc/13/54/28/130135428.db2.gz ZLCOBEAIHDOELZ-GHMZBOCLSA-N -1 3 321.377 2.350 20 10 DECDHM CC[C@@H](N[C@H](C)CS(=O)(=O)CC)c1ccc(F)cc1[O-] ZINC000285951576 131212409 /nfs/dbraw/zinc/21/24/09/131212409.db2.gz GEZXURYTQKLQFB-ZWNOBZJWSA-N -1 3 303.399 2.395 20 10 DECDHM C[C@H](C[S@](C)=O)N(C)Cc1cc(Br)ccc1[O-] ZINC000131041996 401843476 /nfs/dbraw/zinc/84/34/76/401843476.db2.gz SLXVGCXGNJOBEI-VVVCHXIZSA-N -1 3 320.252 2.354 20 10 DECDHM COc1cc(Cl)cc(CN(C)CCNC(=O)C(C)C)c1[O-] ZINC000184703834 402293070 /nfs/dbraw/zinc/29/30/70/402293070.db2.gz QUOMLYVJBILHCE-UHFFFAOYSA-N -1 3 314.813 2.258 20 10 DECDHM COC(=O)C[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000179129689 402574811 /nfs/dbraw/zinc/57/48/11/402574811.db2.gz CZIGMBWFROSUMP-ZDUSSCGKSA-N -1 3 309.337 2.261 20 10 DECDHM Cc1ccc(C(=O)N2CCO[C@H](c3ccco3)C2)c([O-])c1O ZINC000182582360 402701452 /nfs/dbraw/zinc/70/14/52/402701452.db2.gz FVHWQBKIEOPLFC-ZDUSSCGKSA-N -1 3 303.314 2.213 20 10 DECDHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(O)c1[O-] ZINC000192869215 402754444 /nfs/dbraw/zinc/75/44/44/402754444.db2.gz FYRDSQNGWRDOCM-ZDUSSCGKSA-N -1 3 316.357 2.258 20 10 DECDHM COc1c([O-])c(CNCc2cnc(C)s2)ccc1[N+](=O)[O-] ZINC000278625056 402869053 /nfs/dbraw/zinc/86/90/53/402869053.db2.gz GGGXYVRUFJQAIB-UHFFFAOYSA-N -1 3 309.347 2.364 20 10 DECDHM [O-]c1c(F)cccc1CN1CCN(c2ncccc2F)CC1 ZINC000272341028 402925840 /nfs/dbraw/zinc/92/58/40/402925840.db2.gz YSXUHTJHFPFEJA-UHFFFAOYSA-N -1 3 305.328 2.388 20 10 DECDHM CCCCN(Cc1nnc2n1CCOC2)Cc1ccccc1[O-] ZINC000282426866 403153254 /nfs/dbraw/zinc/15/32/54/403153254.db2.gz JVPDJAKUIYDZKT-UHFFFAOYSA-N -1 3 316.405 2.316 20 10 DECDHM COc1cc(Cl)cc(CN2CCC[C@@](F)(CO)C2)c1[O-] ZINC000289821951 404000650 /nfs/dbraw/zinc/00/06/50/404000650.db2.gz OFKUIAQHDIDCRU-AWEZNQCLSA-N -1 3 303.761 2.351 20 10 DECDHM CC[C@H](CNC(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000295674167 404005334 /nfs/dbraw/zinc/00/53/34/404005334.db2.gz HNCVZKCFDHIOQM-SNVBAGLBSA-N -1 3 324.377 2.131 20 10 DECDHM Cc1ccc(C(=O)N(C)CC(F)(F)Br)c([O-])c1O ZINC000291999888 404620816 /nfs/dbraw/zinc/62/08/16/404620816.db2.gz UTNWVQHUMVZEFZ-UHFFFAOYSA-N -1 3 324.121 2.466 20 10 DECDHM Cn1cc([C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2)cn1 ZINC000366730010 404838572 /nfs/dbraw/zinc/83/85/72/404838572.db2.gz NFLNYFRYRZUQNU-MRXNPFEDSA-N -1 3 323.352 2.351 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368265692 227007124 /nfs/dbraw/zinc/00/71/24/227007124.db2.gz KLPVRRXVLBMPQQ-JTQLQIEISA-N -1 3 307.737 2.035 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN(C)C2(C(N)=O)CCCC2)c1[O-] ZINC000093211556 277105640 /nfs/dbraw/zinc/10/56/40/277105640.db2.gz RYZNNKVZBUEGOM-UHFFFAOYSA-N -1 3 324.808 2.478 20 10 DECDHM CCCOc1ccc(CN2CCN(CCOCC)CC2)c([O-])c1 ZINC000127467683 520348188 /nfs/dbraw/zinc/34/81/88/520348188.db2.gz GKXWGLPUEZTSSY-UHFFFAOYSA-N -1 3 322.449 2.335 20 10 DECDHM CCCOc1ccc(CN2CCC[C@@]23CCOC3=O)c([O-])c1 ZINC000190030828 520349110 /nfs/dbraw/zinc/34/91/10/520349110.db2.gz 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Cc1cc([O-])c(CN2CCN3C(=O)OCC[C@H]3C2)c(Cl)c1 ZINC000840920488 650382055 /nfs/dbraw/zinc/38/20/55/650382055.db2.gz KLEXQHJGCOIJSU-NSHDSACASA-N -1 3 310.781 2.381 20 10 DECDHM COC(=O)c1[nH]c(C)c(C(=O)NCc2c([O-])cccc2F)c1C ZINC000928705451 639484723 /nfs/dbraw/zinc/48/47/23/639484723.db2.gz KFUXHMCWGLNGBB-UHFFFAOYSA-N -1 3 320.320 2.193 20 10 DECDHM O=S(=O)([N-]c1ccc(O)cc1F)c1cncc(Cl)c1 ZINC000758168516 639922415 /nfs/dbraw/zinc/92/24/15/639922415.db2.gz BDZPFTKLLXZBOT-UHFFFAOYSA-N -1 3 302.714 2.381 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@H](C)CN1CCO ZINC000841891679 650595300 /nfs/dbraw/zinc/59/53/00/650595300.db2.gz OOLYHWZQKAPSRL-GHMZBOCLSA-N -1 3 316.804 2.072 20 10 DECDHM COC1(CO)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000775204897 642016243 /nfs/dbraw/zinc/01/62/43/642016243.db2.gz SYLUKRKTUJEJAL-UHFFFAOYSA-N -1 3 303.761 2.158 20 10 DECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H](OCCO)C1 ZINC000775689104 642080483 /nfs/dbraw/zinc/08/04/83/642080483.db2.gz ZWFBCOHXFPGDAF-GFCCVEGCSA-N -1 3 303.761 2.158 20 10 DECDHM Cc1nc2sccn2c1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000776670189 642196474 /nfs/dbraw/zinc/19/64/74/642196474.db2.gz UQGXBMGIBZBNMV-UHFFFAOYSA-N -1 3 317.370 2.388 20 10 DECDHM O=C1CN(Cc2cc(F)ccc2[O-])CN1Cc1ccccc1 ZINC000779033400 642457998 /nfs/dbraw/zinc/45/79/98/642457998.db2.gz MMFLCSMEVXPCMD-UHFFFAOYSA-N -1 3 300.333 2.333 20 10 DECDHM Cc1ccc(C(=O)N2CCCN2C(=O)OC(C)(C)C)c([O-])c1O ZINC000781000795 642701235 /nfs/dbraw/zinc/70/12/35/642701235.db2.gz XQWRHDBEVPIOON-UHFFFAOYSA-N -1 3 322.361 2.404 20 10 DECDHM [O-]c1ccc(Br)cc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000787438334 643492727 /nfs/dbraw/zinc/49/27/27/643492727.db2.gz OARHMIHIEZZHPN-JTQLQIEISA-N -1 3 322.149 2.357 20 10 DECDHM COc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c([O-])c1 ZINC000904237167 643616089 /nfs/dbraw/zinc/61/60/89/643616089.db2.gz ZVZNKGHXTLJLHP-ZIAGYGMSSA-N -1 3 306.362 2.069 20 10 DECDHM CC(C)[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccnn1C ZINC000788538493 643622427 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Cc1nccnc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000799735709 645214773 /nfs/dbraw/zinc/21/47/73/645214773.db2.gz HDQTZWGSGFIINF-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM COC(=O)c1n[nH]c2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC000825016729 648686507 /nfs/dbraw/zinc/68/65/07/648686507.db2.gz HBDMDEFAJVNWHB-UHFFFAOYSA-N -1 3 321.764 2.114 20 10 DECDHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)C1=CC(=O)CS1 ZINC000825304854 648738229 /nfs/dbraw/zinc/73/82/29/648738229.db2.gz LNHMXCBOTGXUDA-UHFFFAOYSA-N -1 3 305.359 2.147 20 10 DECDHM [O-]c1cc(Br)ccc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000825657163 648794476 /nfs/dbraw/zinc/79/44/76/648794476.db2.gz BQPBRGKSYXIOIL-JTQLQIEISA-N -1 3 322.149 2.357 20 10 DECDHM CC1CCN(S(=O)(=O)Nc2ccc([O-])c(F)c2F)CC1 ZINC000830184842 649406233 /nfs/dbraw/zinc/40/62/33/649406233.db2.gz QGGGKAUIADUZNS-UHFFFAOYSA-N -1 3 306.334 2.059 20 10 DECDHM CN1CCCC(C)(C)[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000830838368 649503488 /nfs/dbraw/zinc/50/34/88/649503488.db2.gz UGYZBLZAVVACGR-GFCCVEGCSA-N -1 3 310.369 2.087 20 10 DECDHM [O-]c1cccc(Cl)c1CNCc1nnnn1-c1ccccc1 ZINC000733325987 649543465 /nfs/dbraw/zinc/54/34/65/649543465.db2.gz BXBOFFDSMQNONB-UHFFFAOYSA-N -1 3 315.764 2.311 20 10 DECDHM C[C@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1(C)C ZINC000846257178 651318137 /nfs/dbraw/zinc/31/81/37/651318137.db2.gz ALBQEWRMVBJPDT-JTQLQIEISA-N -1 3 318.377 2.001 20 10 DECDHM Cc1nc(C)c(CC(=O)NCc2cc(Cl)ccc2O)c(=O)[n-]1 ZINC000846472434 651332223 /nfs/dbraw/zinc/33/22/23/651332223.db2.gz KEYLKSCECPHAMH-UHFFFAOYSA-N -1 3 321.764 2.017 20 10 DECDHM CCc1nn(C)c(Cl)c1C(=O)NCc1c([O-])cccc1F ZINC000928704525 693830335 /nfs/dbraw/zinc/83/03/35/693830335.db2.gz AVVTUPKTNYPXNE-UHFFFAOYSA-N -1 3 311.744 2.411 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCO[C@H]1c1ccncc1 ZINC000928705260 693830615 /nfs/dbraw/zinc/83/06/15/693830615.db2.gz FLGKODIOCBKLHR-WBMJQRKESA-N -1 3 316.332 2.320 20 10 DECDHM C[C@@H]1CCn2cc(C(=O)NCc3c([O-])cccc3F)nc2C1 ZINC000928710155 693831153 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O=C(NCc1cnn(CC2CCC2)c1)c1cccc(O)c1[O-] ZINC000887358339 692343971 /nfs/dbraw/zinc/34/39/71/692343971.db2.gz BAAYUJBBYONEED-UHFFFAOYSA-N -1 3 301.346 2.024 20 10 DECDHM Cc1c([C@H](C)NC(=O)NCc2c([O-])cccc2F)cnn1C ZINC001334299527 1150263728 /nfs/dbraw/zinc/26/37/28/1150263728.db2.gz XBYGXONJCRVJON-VIFPVBQESA-N -1 3 306.341 2.134 20 10 DECDHM O=C(Nc1cccnc1OCC(F)F)c1cccc(O)c1[O-] ZINC001545874717 1177873682 /nfs/dbraw/zinc/87/36/82/1177873682.db2.gz ACPQQTHFMXXDLO-UHFFFAOYSA-N -1 3 310.256 2.389 20 10 DECDHM [O-]c1cccc(Cl)c1CN1CCN(c2cncnc2)CC1 ZINC001140341910 777074045 /nfs/dbraw/zinc/07/40/45/777074045.db2.gz KMSHJJOEONSYQH-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM CC1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])COC1 ZINC001143391431 777085903 /nfs/dbraw/zinc/08/59/03/777085903.db2.gz WGPJPGVSLLIKDL-UHFFFAOYSA-N -1 3 306.749 2.247 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC[C@](CF)(C(F)(F)F)C1 ZINC001148212140 791710624 /nfs/dbraw/zinc/71/06/24/791710624.db2.gz OBIRUMRFOIKYEP-GFCCVEGCSA-N -1 3 307.243 2.462 20 10 DECDHM O=C(Nc1ccc(F)c2c1OCCC2=O)c1cccc(O)c1[O-] ZINC001148220105 791714572 /nfs/dbraw/zinc/71/45/72/791714572.db2.gz QRAYOKVWZCVNGB-UHFFFAOYSA-N -1 3 317.272 2.454 20 10 DECDHM O=C(NC1(Cc2ccc(O)cc2)CC1)c1cc(O)c([O-])c(O)c1 ZINC001148591407 791779099 /nfs/dbraw/zinc/77/90/99/791779099.db2.gz ZNNJXKRKEBHVMU-UHFFFAOYSA-N -1 3 315.325 2.014 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc(-n2cccn2)nc1 ZINC001178410514 794920689 /nfs/dbraw/zinc/92/06/89/794920689.db2.gz QYXZMUJREXTCNF-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC001120797794 795532570 /nfs/dbraw/zinc/53/25/70/795532570.db2.gz GWQOCCIQUAPVCA-CYBMUJFWSA-N -1 3 305.305 2.354 20 10 DECDHM COc1ccnc(N2CCN(Cc3c([O-])cccc3F)CC2)c1 ZINC001137841352 796145543 /nfs/dbraw/zinc/14/55/43/796145543.db2.gz BHJSREOJCSUZIH-UHFFFAOYSA-N -1 3 317.364 2.257 20 10 DECDHM CCOC[C@H]1Cn2nccc2CN(Cc2cccc(F)c2[O-])C1 ZINC001138127175 796167558 /nfs/dbraw/zinc/16/75/58/796167558.db2.gz RGNFYVZQSCTSFS-CYBMUJFWSA-N -1 3 319.380 2.396 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](Oc2cnccn2)C1 ZINC001142530300 796747785 /nfs/dbraw/zinc/74/77/85/796747785.db2.gz CFFWTQFUZUHZQO-LLVKDONJSA-N -1 3 307.300 2.114 20 10 DECDHM Cc1csc(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001195135997 797841148 /nfs/dbraw/zinc/84/11/48/797841148.db2.gz FKUQIHRFJTXUHD-UHFFFAOYSA-N -1 3 301.364 2.380 20 10 DECDHM Cc1cc(OC2COC2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229540919 801290482 /nfs/dbraw/zinc/29/04/82/801290482.db2.gz FBRAOCMGHFODFM-UHFFFAOYSA-N -1 3 310.305 2.254 20 10 DECDHM Cc1nnc(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)o1 ZINC001231454663 801669103 /nfs/dbraw/zinc/66/91/03/801669103.db2.gz SZQZTSNQQHECOA-UHFFFAOYSA-N -1 3 317.345 2.161 20 10 DECDHM COc1cc([O-])c(CN2CC(F)(F)C[C@H]2CO)cc1Cl ZINC001232266711 801832876 /nfs/dbraw/zinc/83/28/76/801832876.db2.gz RNPGUTAWBJEVOW-VIFPVBQESA-N -1 3 307.724 2.256 20 10 DECDHM [O-]c1cc(I)ccc1CN1CC(F)C1 ZINC001232974459 801994597 /nfs/dbraw/zinc/99/45/97/801994597.db2.gz ONDUEOUCOLVMCO-UHFFFAOYSA-N -1 3 307.106 2.151 20 10 DECDHM [O-]c1cc(Br)cc(F)c1CN1CCN2CC[C@H]2C1 ZINC001233033330 802009370 /nfs/dbraw/zinc/00/93/70/802009370.db2.gz KXZWECXTXZPDCA-JTQLQIEISA-N -1 3 315.186 2.184 20 10 DECDHM CC(C)(C(N)=O)C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335298 802079527 /nfs/dbraw/zinc/07/95/27/802079527.db2.gz PHDAFSGSUAFEFQ-UHFFFAOYSA-N -1 3 312.360 2.394 20 10 DECDHM CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603278651 1069930757 /nfs/dbraw/zinc/93/07/57/1069930757.db2.gz RZEGMLNYZKUPGD-NEPJUHHUSA-N -1 3 319.409 2.020 20 10 DECDHM C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603656697 1070022470 /nfs/dbraw/zinc/02/24/70/1070022470.db2.gz IAORIHZVNXKSNG-ISVAXAHUSA-N -1 3 309.320 2.268 20 10 DECDHM CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C1(C)C ZINC001605025398 1070580407 /nfs/dbraw/zinc/58/04/07/1070580407.db2.gz UXADRESSZBXFKE-TVYUQYBPSA-N -1 3 317.393 2.036 20 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VKMSSGYQOZRPRV-ZBEGNZNMSA-N -1 3 313.344 2.440 20 10 DECDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(Cl)cc1[O-] ZINC001621182418 1078170591 /nfs/dbraw/zinc/17/05/91/1078170591.db2.gz DEASOUASCIRUTR-SNVBAGLBSA-N -1 3 305.827 2.301 20 10 DECDHM O=C(Nc1ccc2c(c1)COC(=O)N2)c1cccc(O)c1[O-] ZINC001629411056 1078317491 /nfs/dbraw/zinc/31/74/91/1078317491.db2.gz ROKQFGCABLMGOV-UHFFFAOYSA-N -1 3 300.270 2.412 20 10 DECDHM CN(C)C(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001640898701 1078682706 /nfs/dbraw/zinc/68/27/06/1078682706.db2.gz FUGKHZMMFIGIJQ-UHFFFAOYSA-N -1 3 315.329 2.444 20 10 DECDHM CC(C)c1n[nH]c(C(=O)NCc2c([O-])cccc2F)c1[N+](=O)[O-] ZINC001645048507 1078874017 /nfs/dbraw/zinc/87/40/17/1078874017.db2.gz YFOISSPERXHGJI-UHFFFAOYSA-N -1 3 322.296 2.216 20 10 DECDHM Cn1c(=O)[nH]c2cc(C(=O)NCc3c([O-])cccc3F)ccc21 ZINC001558454460 1075094458 /nfs/dbraw/zinc/09/44/58/1075094458.db2.gz HECCGVMHOGAFNP-UHFFFAOYSA-N -1 3 315.304 2.054 20 10 DECDHM C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589901502 1076527582 /nfs/dbraw/zinc/52/75/82/1076527582.db2.gz POUXEPNGJYFVJN-NEPJUHHUSA-N -1 3 324.388 2.249 20 10 DECDHM C[C@H]([NH2+]CCOC1CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961965 1076537704 /nfs/dbraw/zinc/53/77/04/1076537704.db2.gz DLDKQCWTVVZDQD-NSHDSACASA-N -1 3 317.393 2.182 20 10 DECDHM CC[C@H]([NH2+]C[C@H](O)CC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462884 1076631815 /nfs/dbraw/zinc/63/18/15/1076631815.db2.gz GGVJAJIDWNWPNV-RISCZKNCSA-N -1 3 319.409 2.020 20 10 DECDHM CC[C@H]([NH2+]CC1(COC)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466557 1076633670 /nfs/dbraw/zinc/63/36/70/1076633670.db2.gz YIWSSNDTIOISOW-ZDUSSCGKSA-N -1 3 317.393 2.040 20 10 DECDHM CC[C@H]([NH2+]CCc1ccco1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590471019 1076635029 /nfs/dbraw/zinc/63/50/29/1076635029.db2.gz UOQBXZKPXYVDRS-AWEZNQCLSA-N -1 3 313.361 2.449 20 10 DECDHM CC[C@@H]([NH2+]CCc1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590471106 1076635796 /nfs/dbraw/zinc/63/57/96/1076635796.db2.gz WHVVKWNQKZJXOB-OAHLLOKOSA-N -1 3 324.388 2.251 20 10 DECDHM CCC[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])OCC ZINC001590556991 1076651956 /nfs/dbraw/zinc/65/19/56/1076651956.db2.gz DMKVSQDRYIFZAN-RYUDHWBXSA-N -1 3 319.409 2.428 20 10 DECDHM CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591474398 1076747525 /nfs/dbraw/zinc/74/75/25/1076747525.db2.gz ILBMUEKGBAAFAH-BPNCWPANSA-N -1 3 317.393 2.181 20 10 DECDHM COc1ccc2c(c1)CCCN2Cc1cncc(-c2nnn[n-]2)c1 ZINC001591626486 1076766004 /nfs/dbraw/zinc/76/60/04/1076766004.db2.gz ILTVPGNZCODQFT-UHFFFAOYSA-N -1 3 322.372 2.223 20 10 DECDHM COc1ccc2c(c1)CCCN2Cc1cncc(-c2nn[n-]n2)c1 ZINC001591626486 1076766009 /nfs/dbraw/zinc/76/60/09/1076766009.db2.gz ILTVPGNZCODQFT-UHFFFAOYSA-N -1 3 322.372 2.223 20 10 DECDHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1O ZINC001591729787 1076780206 /nfs/dbraw/zinc/78/02/06/1076780206.db2.gz JSJSIZFWDAPNSC-MRVPVSSYSA-N -1 3 315.358 2.125 20 10 DECDHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1O ZINC001591729787 1076780209 /nfs/dbraw/zinc/78/02/09/1076780209.db2.gz JSJSIZFWDAPNSC-MRVPVSSYSA-N -1 3 315.358 2.125 20 10 DECDHM Cc1[nH]nc(NCc2c(O)cc(C)cc2Cl)c1-c1nnn[n-]1 ZINC001592056487 1076839709 /nfs/dbraw/zinc/83/97/09/1076839709.db2.gz PEFZLNZCKRRHEC-UHFFFAOYSA-N -1 3 319.756 2.178 20 10 DECDHM C[C@H](Oc1cccc(CO)c1)C(=O)NCc1c([O-])cccc1F ZINC001596911943 1077084552 /nfs/dbraw/zinc/08/45/52/1077084552.db2.gz JEZBZOVYMWOKEU-NSHDSACASA-N -1 3 319.332 2.107 20 10 DECDHM Cn1nc(CC(=O)NCc2c([O-])cccc2F)c2ccccc21 ZINC001596911973 1077084660 /nfs/dbraw/zinc/08/46/60/1077084660.db2.gz JRZLQTGQJCLOLQ-UHFFFAOYSA-N -1 3 313.332 2.277 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ncnc2ccsc21 ZINC001596917187 1077084840 /nfs/dbraw/zinc/08/48/40/1077084840.db2.gz YLMWTULLEMVQMZ-UHFFFAOYSA-N -1 3 303.318 2.466 20 10 DECDHM O=C([O-])C[C@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001601962939 1077484476 /nfs/dbraw/zinc/48/44/76/1077484476.db2.gz ACRLKCQPCXPSRF-AWEZNQCLSA-N -1 3 301.342 2.221 20 10 DECDHM O=C([O-])C[C@H]1COCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001601962939 1077484479 /nfs/dbraw/zinc/48/44/79/1077484479.db2.gz ACRLKCQPCXPSRF-AWEZNQCLSA-N -1 3 301.342 2.221 20 10 DECDHM C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781270 1077922276 /nfs/dbraw/zinc/92/22/76/1077922276.db2.gz WTKVDUQWUYCGEX-PGUXBMHVSA-N -1 3 304.390 2.224 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN(CCCO)Cc1ccccn1 ZINC001652388246 1079872788 /nfs/dbraw/zinc/87/27/88/1079872788.db2.gz WBKOKYFMYDYUOU-UHFFFAOYSA-N -1 3 308.328 2.450 20 10 DECDHM NC(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1F ZINC001666852318 1081185661 /nfs/dbraw/zinc/18/56/61/1081185661.db2.gz NXCRWZLNDUJPQF-UHFFFAOYSA-N -1 3 321.283 2.091 20 10 DECDHM CN1CCO[C@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@@H]21 ZINC001276805308 1083623131 /nfs/dbraw/zinc/62/31/31/1083623131.db2.gz SYQIFPKHTKAYEG-JSGCOSHPSA-N -1 3 317.216 2.214 20 10 DECDHM [O-]c1c(Br)cc(F)cc1CN1CCN2CC[C@@H]2C1 ZINC001235309002 1084382727 /nfs/dbraw/zinc/38/27/27/1084382727.db2.gz RZNYQQMUBLVGFR-LLVKDONJSA-N -1 3 315.186 2.184 20 10 DECDHM CCN(Cc1cc(F)cc(Br)c1[O-])C1CN(C)C1 ZINC001235304811 1084380866 /nfs/dbraw/zinc/38/08/66/1084380866.db2.gz CDQALWPOGDWPND-UHFFFAOYSA-N -1 3 317.202 2.430 20 10 DECDHM NC(=O)[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794324 1138430038 /nfs/dbraw/zinc/43/00/38/1138430038.db2.gz RLLILRZOQBJREE-MRVPVSSYSA-N -1 3 303.189 2.396 20 10 DECDHM CC(=O)OC1CN(Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237677939 1138751559 /nfs/dbraw/zinc/75/15/59/1138751559.db2.gz FNGHYWUASCNGPO-UHFFFAOYSA-N -1 3 314.179 2.210 20 10 DECDHM O=C1CCC2(CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)N1 ZINC001237940537 1138811711 /nfs/dbraw/zinc/81/17/11/1138811711.db2.gz MEBJRWZBDGYTRD-UHFFFAOYSA-N -1 3 312.772 2.429 20 10 DECDHM CC(=O)NC[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079404026 185169230 /nfs/dbraw/zinc/16/92/30/185169230.db2.gz BOGBAXWQFKXFJN-CYBMUJFWSA-N -1 3 322.380 2.082 20 10 DECDHM COc1cc(Cl)cc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1[O-] ZINC000273706811 130156280 /nfs/dbraw/zinc/15/62/80/130156280.db2.gz FKTHWRQBMIANPT-ARNPGYACSA-N -1 3 317.838 2.396 20 10 DECDHM COc1cc(Cl)cc(CN2CCN(CC(F)F)CC2)c1[O-] ZINC000273722896 130159273 /nfs/dbraw/zinc/15/92/73/130159273.db2.gz IPMWLWJATWLUNP-UHFFFAOYSA-N -1 3 320.767 2.437 20 10 DECDHM CN(C)C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000128152740 289218216 /nfs/dbraw/zinc/21/82/16/289218216.db2.gz ZHPYVJFWCCFOJN-LBPRGKRZSA-N -1 3 319.232 2.461 20 10 DECDHM O=C(C1CC1)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000119087290 401924666 /nfs/dbraw/zinc/92/46/66/401924666.db2.gz WPLMGVPLMJKSOL-UHFFFAOYSA-N -1 3 308.809 2.490 20 10 DECDHM CCCN(CCC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093900644 402021817 /nfs/dbraw/zinc/02/18/17/402021817.db2.gz YTYZODBZZLZRGV-UHFFFAOYSA-N -1 3 314.407 2.026 20 10 DECDHM O=C(NCc1ccnc(N2CCCC2)c1)c1cccc(O)c1[O-] ZINC000186846853 402467519 /nfs/dbraw/zinc/46/75/19/402467519.db2.gz SSSIVYVHCBLTPI-UHFFFAOYSA-N -1 3 313.357 2.023 20 10 DECDHM O=C(NCc1ccc(OCC2CC2)nc1)c1cccc(O)c1[O-] ZINC000187054056 402480252 /nfs/dbraw/zinc/48/02/52/402480252.db2.gz NLKPVVVYMMXQND-UHFFFAOYSA-N -1 3 314.341 2.212 20 10 DECDHM Cc1ccc(C(=O)N[C@@H](C)CCc2cccn2C)c([O-])c1O ZINC000179520578 402593700 /nfs/dbraw/zinc/59/37/00/402593700.db2.gz BVHQJTIKRRBNRM-LBPRGKRZSA-N -1 3 302.374 2.496 20 10 DECDHM CC1(C)CN=C(N2CCN(Cc3ccccc3[O-])CC2)S1 ZINC000271352675 402861245 /nfs/dbraw/zinc/86/12/45/402861245.db2.gz LSPBKBXDNJUOGO-UHFFFAOYSA-N -1 3 305.447 2.391 20 10 DECDHM CCOC(=O)[C@@H](CC)N(C(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000276199208 403153130 /nfs/dbraw/zinc/15/31/30/403153130.db2.gz JSGPTVVDSISBHO-CYBMUJFWSA-N -1 3 321.373 2.353 20 10 DECDHM CN(C)C(=O)C1(NCc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000295073115 403751800 /nfs/dbraw/zinc/75/18/00/403751800.db2.gz RGLDISGEMMECBF-UHFFFAOYSA-N -1 3 321.377 2.181 20 10 DECDHM COCCOCCN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000289062974 403821874 /nfs/dbraw/zinc/82/18/74/403821874.db2.gz RLAYSWCJRAUKPE-UHFFFAOYSA-N -1 3 315.797 2.343 20 10 DECDHM Cn1cc([C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc2)cn1 ZINC000366730005 404838779 /nfs/dbraw/zinc/83/87/79/404838779.db2.gz NFLNYFRYRZUQNU-INIZCTEOSA-N -1 3 323.352 2.351 20 10 DECDHM Cn1ccnc1C(N[C@@H]1CCc2cccc([O-])c21)c1nccn1C ZINC000527947870 406794364 /nfs/dbraw/zinc/79/43/64/406794364.db2.gz OKDMMOYXEWAYCH-CYBMUJFWSA-N -1 3 323.400 2.226 20 10 DECDHM CCCN1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1=O ZINC000189394627 519851828 /nfs/dbraw/zinc/85/18/28/519851828.db2.gz OYDVWFIRESOUII-UHFFFAOYSA-N -1 3 322.380 2.178 20 10 DECDHM COC(=O)C[C@@H]1CN(Cc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000180287497 523302055 /nfs/dbraw/zinc/30/20/55/523302055.db2.gz HPDQUTSTNKRVNC-CYBMUJFWSA-N -1 3 313.781 2.118 20 10 DECDHM [O-]c1c(Cl)cccc1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000180579400 526326039 /nfs/dbraw/zinc/32/60/39/526326039.db2.gz AXFBUIRCSRGLNJ-CYBMUJFWSA-N -1 3 310.825 2.200 20 10 DECDHM [O-]c1c(F)cccc1CN1CCC(Oc2cnccn2)CC1 ZINC000365939540 526328696 /nfs/dbraw/zinc/32/86/96/526328696.db2.gz ARCAVCAVKNKNOR-UHFFFAOYSA-N -1 3 303.337 2.365 20 10 DECDHM [O-]c1ccccc1CN(Cc1csnn1)C[C@H]1CCCO1 ZINC000160199102 526372340 /nfs/dbraw/zinc/37/23/40/526372340.db2.gz CWNXGIAOZRURMW-CQSZACIVSA-N -1 3 305.403 2.425 20 10 DECDHM O=C1NCCN1C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000127616166 527068956 /nfs/dbraw/zinc/06/89/56/527068956.db2.gz JASMRXGCEINQMR-UHFFFAOYSA-N -1 3 309.797 2.035 20 10 DECDHM C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117116 598623981 /nfs/dbraw/zinc/62/39/81/598623981.db2.gz DECBMZYJKSIGSD-QMMMGPOBSA-N -1 3 315.358 2.125 20 10 DECDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])N1CCc2ccccc21 ZINC000192982163 625592922 /nfs/dbraw/zinc/59/29/22/625592922.db2.gz TWESCGKDYUGCGA-LBPRGKRZSA-N -1 3 312.369 2.279 20 10 DECDHM CN(C)Cc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000890759191 623197622 /nfs/dbraw/zinc/19/76/22/623197622.db2.gz GEBSPJULRWYFPM-UHFFFAOYSA-N -1 3 319.792 2.432 20 10 DECDHM C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000187184342 637235165 /nfs/dbraw/zinc/23/51/65/637235165.db2.gz RWGPMRREKZTDDU-IAQYHMDHSA-N -1 3 301.342 2.340 20 10 DECDHM [O-]c1cccc(F)c1CNCc1cnc(C2OCCO2)s1 ZINC000896637497 638620570 /nfs/dbraw/zinc/62/05/70/638620570.db2.gz NQSGQMQFAOUOPG-UHFFFAOYSA-N -1 3 310.350 2.323 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000897185262 639230088 /nfs/dbraw/zinc/23/00/88/639230088.db2.gz AMJSNVLBSYZWJX-IAQYHMDHSA-N -1 3 308.353 2.288 20 10 DECDHM COC(=O)c1c(C)[nH]c(C(=O)NCc2c([O-])cccc2F)c1C ZINC000928708232 639488062 /nfs/dbraw/zinc/48/80/62/639488062.db2.gz FAHDAQAUSXZBRK-UHFFFAOYSA-N -1 3 320.320 2.193 20 10 DECDHM CCn1nncc1CNCc1cccc(Br)c1[O-] ZINC000841878391 650589244 /nfs/dbraw/zinc/58/92/44/650589244.db2.gz QULBYPHHVNPSTD-UHFFFAOYSA-N -1 3 311.183 2.056 20 10 DECDHM COc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1OC ZINC000323007846 641263063 /nfs/dbraw/zinc/26/30/63/641263063.db2.gz WAXNUMAFGWFDFS-UHFFFAOYSA-N -1 3 317.341 2.088 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc([S@@](C)=O)c2)c([O-])c1O ZINC000770488652 641376041 /nfs/dbraw/zinc/37/60/41/641376041.db2.gz MSMNRWQHDZUPDS-OAQYLSRUSA-N -1 3 305.355 2.396 20 10 DECDHM COc1c([O-])c(CNCc2ccc(F)cn2)ccc1[N+](=O)[O-] ZINC000775037500 641998065 /nfs/dbraw/zinc/99/80/65/641998065.db2.gz NJBQHJKGQKQBJT-UHFFFAOYSA-N -1 3 307.281 2.133 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)CN1C ZINC000775983703 642119158 /nfs/dbraw/zinc/11/91/58/642119158.db2.gz CSOFOUWHFUZOLI-ZJUUUORDSA-N -1 3 313.785 2.478 20 10 DECDHM CC[C@@]1(O)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000779220068 642474104 /nfs/dbraw/zinc/47/41/04/642474104.db2.gz WLMZNNLTKMFSCW-CYBMUJFWSA-N -1 3 300.742 2.301 20 10 DECDHM O=C(NCc1ccccc1Cn1ccnc1)c1cccc(O)c1[O-] ZINC000790488931 643858944 /nfs/dbraw/zinc/85/89/44/643858944.db2.gz SUPSLFDDVDARCH-UHFFFAOYSA-N -1 3 323.352 2.273 20 10 DECDHM O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(O)c1[O-] ZINC000790561074 643866812 /nfs/dbraw/zinc/86/68/12/643866812.db2.gz RYLLDWLDDKCYME-UHFFFAOYSA-N -1 3 314.341 2.187 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1cccc(F)c1 ZINC000790918522 643908906 /nfs/dbraw/zinc/90/89/06/643908906.db2.gz APBHTGPXVCCLIP-OTYXRUKQSA-N -1 3 305.305 2.089 20 10 DECDHM O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2ncccc2[O-])c1[O-] ZINC000793260076 644218222 /nfs/dbraw/zinc/21/82/22/644218222.db2.gz XOLDNDVSXUHBAF-UHFFFAOYSA-N -1 3 309.709 2.344 20 10 DECDHM COc1c([O-])c(CNCc2cccnc2F)ccc1[N+](=O)[O-] ZINC000793288457 644226576 /nfs/dbraw/zinc/22/65/76/644226576.db2.gz FMASLLVVERXPCM-UHFFFAOYSA-N -1 3 307.281 2.133 20 10 DECDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC000797820120 644926955 /nfs/dbraw/zinc/92/69/55/644926955.db2.gz HLIPCOOFRKTGNR-UHFFFAOYSA-N -1 3 309.343 2.210 20 10 DECDHM NC(=O)C(=O)Nc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000800893014 645317952 /nfs/dbraw/zinc/31/79/52/645317952.db2.gz NATBHDVHWHFPQJ-UHFFFAOYSA-N -1 3 319.748 2.082 20 10 DECDHM CCCN(Cc1cccc(Cl)c1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000802655831 645541165 /nfs/dbraw/zinc/54/11/65/645541165.db2.gz FYLMDEGHOHILMD-LBPRGKRZSA-N -1 3 310.781 2.015 20 10 DECDHM CC(C)S(=O)(=O)CCNCc1c([O-])ccc(Cl)c1F ZINC000809790344 646284624 /nfs/dbraw/zinc/28/46/24/646284624.db2.gz BZHLWDMFXWOKMZ-UHFFFAOYSA-N -1 3 309.790 2.098 20 10 DECDHM Cn1nc(C2CC2)cc1CNC(=O)NCc1c([O-])cccc1F ZINC000927597944 646285423 /nfs/dbraw/zinc/28/54/23/646285423.db2.gz GHUGEHKXMILDTI-UHFFFAOYSA-N -1 3 318.352 2.142 20 10 DECDHM COC[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccco1 ZINC000921178680 648278502 /nfs/dbraw/zinc/27/85/02/648278502.db2.gz OVQWPRCZKJXBTJ-LBPRGKRZSA-N -1 3 308.309 2.311 20 10 DECDHM C[C@H](Cc1ccncc1)NC(=O)NCc1c([O-])cccc1F ZINC000921336192 648292225 /nfs/dbraw/zinc/29/22/25/648292225.db2.gz FUQIOGLDDSJFCX-LLVKDONJSA-N -1 3 303.337 2.357 20 10 DECDHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)cc1Cl ZINC000824851107 648662430 /nfs/dbraw/zinc/66/24/30/648662430.db2.gz SQQAZHREXZDKLV-MNOVXSKESA-N -1 3 317.838 2.361 20 10 DECDHM C[C@@H]1OCC[C@H]1N(CCO)Cc1c([O-])ccc(Cl)c1F ZINC000825129892 648707958 /nfs/dbraw/zinc/70/79/58/648707958.db2.gz HMJHYYPZAOVYRJ-JOYOIKCWSA-N -1 3 303.761 2.156 20 10 DECDHM COc1ccc(N2CCN(Cc3cccc(F)c3[O-])CC2)nc1 ZINC000825305509 648738951 /nfs/dbraw/zinc/73/89/51/648738951.db2.gz LVQFXADSYZRHGQ-UHFFFAOYSA-N -1 3 317.364 2.257 20 10 DECDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000070333310 648905744 /nfs/dbraw/zinc/90/57/44/648905744.db2.gz AUNVFYWRVCLEQT-UHFFFAOYSA-N -1 3 312.278 2.240 20 10 DECDHM [O-]c1c(F)cc(Cl)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC000827121306 648975349 /nfs/dbraw/zinc/97/53/49/648975349.db2.gz ZBNAOWMTMYCYBM-ZDUSSCGKSA-N -1 3 314.788 2.091 20 10 DECDHM O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(O)c1[O-] ZINC000830468451 649449268 /nfs/dbraw/zinc/44/92/68/649449268.db2.gz NDKHSAXXDFQEJD-KCJUWKMLSA-N -1 3 319.279 2.328 20 10 DECDHM Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c([O-])c1 ZINC000185390722 649517214 /nfs/dbraw/zinc/51/72/14/649517214.db2.gz JRHJGRMPPPGUIS-NSHDSACASA-N -1 3 301.342 2.473 20 10 DECDHM CC(C)OC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000848344837 651453275 /nfs/dbraw/zinc/45/32/75/651453275.db2.gz OZCGGQKFJUENDJ-LBPRGKRZSA-N -1 3 309.362 2.194 20 10 DECDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1OC ZINC000033914781 683879411 /nfs/dbraw/zinc/87/94/11/683879411.db2.gz LDJVYFSBKFCIPR-UHFFFAOYSA-N -1 3 309.343 2.210 20 10 DECDHM CCC[C@H](C)N1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928710352 693831675 /nfs/dbraw/zinc/83/16/75/693831675.db2.gz BYMNDYKEBDHOGV-RYUDHWBXSA-N -1 3 322.380 2.185 20 10 DECDHM Cc1ccc(CN(CCO)C(=O)c2cccc(O)c2[O-])cc1 ZINC000190173158 684396928 /nfs/dbraw/zinc/39/69/28/684396928.db2.gz JYKHRDRJSIIQPG-UHFFFAOYSA-N -1 3 301.342 2.041 20 10 DECDHM Cc1ccc2c(c1)nc(CNC(=O)c1cccc(O)c1[O-])n2C ZINC000193166594 685034135 /nfs/dbraw/zinc/03/41/35/685034135.db2.gz NULISRBVYNALNK-UHFFFAOYSA-N -1 3 311.341 2.223 20 10 DECDHM Cn1cnc2c1CCN(Cc1c([O-])cccc1Br)C2 ZINC000862211483 686255886 /nfs/dbraw/zinc/25/58/86/686255886.db2.gz IMCNOGRNCWHQNW-UHFFFAOYSA-N -1 3 322.206 2.447 20 10 DECDHM Cc1cc([O-])c(CN2CCN([S@](C)(=N)=O)CC2)c(Cl)c1 ZINC000877790218 690230287 /nfs/dbraw/zinc/23/02/87/690230287.db2.gz SUHPTZTWOWLDGN-FQEVSTJZSA-N -1 3 317.842 2.063 20 10 DECDHM COc1ccc(N(C)Cc2nc3c(c(=O)[n-]2)COCC3)cc1F ZINC000878187205 690339789 /nfs/dbraw/zinc/33/97/89/690339789.db2.gz STGQBTXLZUPILV-UHFFFAOYSA-N -1 3 319.336 2.039 20 10 DECDHM Cc1ncccc1NC(=O)[C@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000883139931 691438714 /nfs/dbraw/zinc/43/87/14/691438714.db2.gz DXPDWKQXBIYOHO-JTQLQIEISA-N -1 3 321.327 2.491 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](c3noc(C)n3)C2)c1[O-] ZINC000931946204 694512198 /nfs/dbraw/zinc/51/21/98/694512198.db2.gz LXEGNIUPRHFHOV-LLVKDONJSA-N -1 3 319.336 2.415 20 10 DECDHM CCNC(=O)OC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527098 780794833 /nfs/dbraw/zinc/79/48/33/780794833.db2.gz KNTDITQWKREMSZ-UHFFFAOYSA-N -1 3 314.332 2.381 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@](C)(O)c1ccccc1 ZINC001144684305 790994557 /nfs/dbraw/zinc/99/45/57/790994557.db2.gz ZHDZNPGJGNZVGE-DIFFPNOSSA-N -1 3 301.342 2.124 20 10 DECDHM C[C@H](NCc1ccc(Br)cc1[O-])c1nncn1C ZINC000691466216 785902446 /nfs/dbraw/zinc/90/24/46/785902446.db2.gz XYYIFWTYJAMRPN-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM Cc1cnn(Cc2ccccn2)c1NC(=O)c1cccc(O)c1[O-] ZINC001148212330 791710294 /nfs/dbraw/zinc/71/02/94/791710294.db2.gz XTQHHBSSQWCOTJ-UHFFFAOYSA-N -1 3 324.340 2.298 20 10 DECDHM Cc1cccnc1O[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148219240 791712942 /nfs/dbraw/zinc/71/29/42/791712942.db2.gz YBORUSMVELJOLW-GFCCVEGCSA-N -1 3 314.341 2.095 20 10 DECDHM COCC1(NC(=O)c2cccc(O)c2[O-])Cc2ccccc2C1 ZINC001148224999 791714771 /nfs/dbraw/zinc/71/47/71/791714771.db2.gz BGNJDHTZNSFEJE-UHFFFAOYSA-N -1 3 313.353 2.012 20 10 DECDHM COc1ccccc1CCN(C)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583831 791777324 /nfs/dbraw/zinc/77/73/24/791777324.db2.gz CTNMCEYSVMYVMH-UHFFFAOYSA-N -1 3 317.341 2.127 20 10 DECDHM O=C(NCCc1cc(F)cc(F)c1)c1cc(O)c([O-])c(O)c1 ZINC001148590045 791778874 /nfs/dbraw/zinc/77/88/74/791778874.db2.gz ABJPDCNPGVOGEV-UHFFFAOYSA-N -1 3 309.268 2.054 20 10 DECDHM O=C(N[C@H](c1ncccc1F)C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148591100 791779083 /nfs/dbraw/zinc/77/90/83/791779083.db2.gz UMMOXDYRYAMXPV-ZDUSSCGKSA-N -1 3 318.304 2.219 20 10 DECDHM [O-]c1c(F)cccc1CN1CCN(c2nccc(Cl)n2)CC1 ZINC001138128497 796167024 /nfs/dbraw/zinc/16/70/24/796167024.db2.gz NULMYPIGNRYRNA-UHFFFAOYSA-N -1 3 322.771 2.297 20 10 DECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC2(C1)CCCOC2 ZINC001139125118 796326910 /nfs/dbraw/zinc/32/69/10/796326910.db2.gz MMXVBQWNRKIIOM-UHFFFAOYSA-N -1 3 315.369 2.419 20 10 DECDHM COC(CN(C)Cc1c([O-])cccc1Br)OC ZINC001140101476 796477256 /nfs/dbraw/zinc/47/72/56/796477256.db2.gz UXAMEMBHQVSUJK-UHFFFAOYSA-N -1 3 304.184 2.205 20 10 DECDHM COCCOc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001142173016 796719771 /nfs/dbraw/zinc/71/97/71/796719771.db2.gz HCVCKUHHLDBPFK-UHFFFAOYSA-N -1 3 303.314 2.375 20 10 DECDHM NCc1nccnc1NCc1cccc(Br)c1[O-] ZINC001163217553 799279606 /nfs/dbraw/zinc/27/96/06/799279606.db2.gz OWEZYCODCWRAOR-UHFFFAOYSA-N -1 3 309.167 2.016 20 10 DECDHM O=C1CCN(Cc2cc(Br)ccc2[O-])C[C@@H]1F ZINC001203645565 800095334 /nfs/dbraw/zinc/09/53/34/800095334.db2.gz MKNHIRVDUSFVDJ-JTQLQIEISA-N -1 3 302.143 2.268 20 10 DECDHM O=C1c2cccc(O[C@@H]3CCOC3)c2C(=O)c2cccc([O-])c21 ZINC001229186861 801238554 /nfs/dbraw/zinc/23/85/54/801238554.db2.gz QORPYFUGPDVFMT-SNVBAGLBSA-N -1 3 310.305 2.335 20 10 DECDHM O=C([O-])c1ccc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c([O-])c1 ZINC001231454677 801668807 /nfs/dbraw/zinc/66/88/07/801668807.db2.gz IAFXWBOFYHWIAX-ZDUSSCGKSA-N -1 3 309.337 2.183 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000401053286 801817152 /nfs/dbraw/zinc/81/71/52/801817152.db2.gz LZKUCSZGELPSBX-NXEZZACHSA-N -1 3 303.811 2.053 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCN(CCF)CC1 ZINC000402762738 801907753 /nfs/dbraw/zinc/90/77/53/801907753.db2.gz IEHHGEVKTLKJHH-UHFFFAOYSA-N -1 3 317.202 2.242 20 10 DECDHM COc1cc([O-])c(CN2CCO[C@H]3C[C@H]32)cc1Br ZINC001233141791 802034998 /nfs/dbraw/zinc/03/49/98/802034998.db2.gz NEVSWDLXQTWFCE-MFKMUULPSA-N -1 3 314.179 2.136 20 10 DECDHM COC(=O)CC1CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418373 802112191 /nfs/dbraw/zinc/11/21/91/802112191.db2.gz DTENKZQHZMLSIJ-UHFFFAOYSA-N -1 3 303.280 2.406 20 10 DECDHM CC(=O)N(C)[C@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419252 802113676 /nfs/dbraw/zinc/11/36/76/802113676.db2.gz PUQPQCSGSBKKSF-LBPRGKRZSA-N -1 3 316.323 2.464 20 10 DECDHM CC(=O)N(C)[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419251 802113775 /nfs/dbraw/zinc/11/37/75/802113775.db2.gz PUQPQCSGSBKKSF-GFCCVEGCSA-N -1 3 316.323 2.464 20 10 DECDHM CC(C)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1=O ZINC001233455068 802120909 /nfs/dbraw/zinc/12/09/09/802120909.db2.gz UUFKCXCELZAGRB-UHFFFAOYSA-N -1 3 316.323 2.464 20 10 DECDHM CCOc1cccc(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC001118242048 957165037 /nfs/dbraw/zinc/16/50/37/957165037.db2.gz VDGNVZSZUNNCRY-UHFFFAOYSA-N -1 3 323.389 2.247 20 10 DECDHM CCOc1cccc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC001118242048 957165041 /nfs/dbraw/zinc/16/50/41/957165041.db2.gz VDGNVZSZUNNCRY-UHFFFAOYSA-N -1 3 323.389 2.247 20 10 DECDHM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@H](C)c1ccccc1O ZINC001599961580 985792330 /nfs/dbraw/zinc/79/23/30/985792330.db2.gz VCSLLJGSMSDZST-SECBINFHSA-N -1 3 302.330 2.260 20 10 DECDHM C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329776 1070333354 /nfs/dbraw/zinc/33/33/54/1070333354.db2.gz MANNXZOKFMMDLQ-NSHDSACASA-N -1 3 321.373 2.427 20 10 DECDHM Cc1ccc(O)c([C@H](C)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001605876016 1070960413 /nfs/dbraw/zinc/96/04/13/1070960413.db2.gz ZGBNUMAGZMVZRG-VIFPVBQESA-N -1 3 316.390 2.188 20 10 DECDHM Cc1ccc(O)c(CNC(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC001605875872 1070961721 /nfs/dbraw/zinc/96/17/21/1070961721.db2.gz RXFCVNZSCUAAAF-UHFFFAOYSA-N -1 3 323.356 2.119 20 10 DECDHM Cc1ccc(O)c(CNC(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC001605875872 1070961726 /nfs/dbraw/zinc/96/17/26/1070961726.db2.gz RXFCVNZSCUAAAF-UHFFFAOYSA-N -1 3 323.356 2.119 20 10 DECDHM O=C(c1nnc2ccccc2c1[O-])N1Cc2cccc(O)c2C1 ZINC001455038131 1057650466 /nfs/dbraw/zinc/65/04/66/1057650466.db2.gz ZSBIOQQEGYXXPW-UHFFFAOYSA-N -1 3 307.309 2.197 20 10 DECDHM O=C(CCNC(=O)c1cccs1)NCc1c([O-])cccc1F ZINC001456083089 1057813891 /nfs/dbraw/zinc/81/38/91/1057813891.db2.gz CUIFYJRGFXKOIU-UHFFFAOYSA-N -1 3 322.361 2.029 20 10 DECDHM CCOC(=O)[C@@]1(C)CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001462516768 1058845552 /nfs/dbraw/zinc/84/55/52/1058845552.db2.gz DUGQCKQAECFMFU-OAHLLOKOSA-N -1 3 313.781 2.200 20 10 DECDHM CCOC(=O)C[C@@](C)(NC(=O)c1cccc(O)c1[O-])C(C)C ZINC001567882047 1064481283 /nfs/dbraw/zinc/48/12/83/1064481283.db2.gz YMHABKOVZPTRRY-MRXNPFEDSA-N -1 3 309.362 2.196 20 10 DECDHM Cc1cccc2c1O[C@H](C(=O)NCc1c([O-])cccc1F)C2 ZINC001646035528 1079085154 /nfs/dbraw/zinc/08/51/54/1079085154.db2.gz XWXJZUAMKVLMPB-HNNXBMFYSA-N -1 3 301.317 2.460 20 10 DECDHM C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952830 1076535054 /nfs/dbraw/zinc/53/50/54/1076535054.db2.gz DGQYSVMIAYCJGJ-WDEREUQCSA-N -1 3 317.393 2.181 20 10 DECDHM C[C@H]([NH2+]CC[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963759 1076538378 /nfs/dbraw/zinc/53/83/78/1076538378.db2.gz YDPZHFILSQUEQW-NWDGAFQWSA-N -1 3 317.393 2.182 20 10 DECDHM CCOc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001590837594 1076683218 /nfs/dbraw/zinc/68/32/18/1076683218.db2.gz RENBTNPKFLAVRP-UHFFFAOYSA-N -1 3 310.361 2.297 20 10 DECDHM CCOc1ccc(N(C)Cc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001590837594 1076683219 /nfs/dbraw/zinc/68/32/19/1076683219.db2.gz RENBTNPKFLAVRP-UHFFFAOYSA-N -1 3 310.361 2.297 20 10 DECDHM Cc1ncccc1C=CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001592426744 1076912126 /nfs/dbraw/zinc/91/21/26/1076912126.db2.gz ORVVDCREVIULIL-MDZDMXLPSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ncccc1C=CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001592426744 1076912128 /nfs/dbraw/zinc/91/21/28/1076912128.db2.gz ORVVDCREVIULIL-MDZDMXLPSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1cc([O-])c(CNCc2nc(C(N)=O)cs2)c(Cl)c1 ZINC001621008780 1077118132 /nfs/dbraw/zinc/11/81/32/1077118132.db2.gz HOEDTFJHUBSTLB-UHFFFAOYSA-N -1 3 311.794 2.199 20 10 DECDHM O=C([O-])[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001601772101 1077450695 /nfs/dbraw/zinc/45/06/95/1077450695.db2.gz JGOVKCGKUUSWKT-HOTGVXAUSA-N -1 3 313.353 2.079 20 10 DECDHM O=C([O-])[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001601772101 1077450698 /nfs/dbraw/zinc/45/06/98/1077450698.db2.gz JGOVKCGKUUSWKT-HOTGVXAUSA-N -1 3 313.353 2.079 20 10 DECDHM O=C([O-])[C@@H]1C[C@H](O)CN1Cc1cc(-c2ccccc2)ccc1O ZINC001601772101 1077450702 /nfs/dbraw/zinc/45/07/02/1077450702.db2.gz JGOVKCGKUUSWKT-HOTGVXAUSA-N -1 3 313.353 2.079 20 10 DECDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001650675532 1079767512 /nfs/dbraw/zinc/76/75/12/1079767512.db2.gz VYKUUYQFQKOBOD-UHFFFAOYSA-N -1 3 324.336 2.378 20 10 DECDHM [O-]c1c(F)cc(F)cc1CNc1cnccc1-n1ccnn1 ZINC001659162329 1080233906 /nfs/dbraw/zinc/23/39/06/1080233906.db2.gz WYCGCSAZMJJEQI-UHFFFAOYSA-N -1 3 303.272 2.258 20 10 DECDHM Cc1ccc(F)cc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001666279492 1081140123 /nfs/dbraw/zinc/14/01/23/1081140123.db2.gz BMQOMNCSHRGEDQ-UHFFFAOYSA-N -1 3 313.325 2.457 20 10 DECDHM CN1CC[C@@]2(CCCN2Cc2c([O-])ccc(F)c2Cl)C1=O ZINC001274823507 1091431453 /nfs/dbraw/zinc/43/14/53/1091431453.db2.gz VMIWRKVUOFDRRI-HNNXBMFYSA-N -1 3 312.772 2.381 20 10 DECDHM COc1ccc(OC)c(NC(=S)NCc2ncccc2[O-])c1 ZINC001245723702 1140814278 /nfs/dbraw/zinc/81/42/78/1140814278.db2.gz XDRUJZSDPDCKJU-UHFFFAOYSA-N -1 3 319.386 2.291 20 10 DECDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)=O)c2)cc1 ZINC001251929084 1142549472 /nfs/dbraw/zinc/54/94/72/1142549472.db2.gz OHCPTRDYAZMQHE-UHFFFAOYSA-N -1 3 321.354 2.404 20 10 DECDHM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)C(F)F ZINC001259960675 1144164338 /nfs/dbraw/zinc/16/43/38/1144164338.db2.gz GXUKMTYFRZHDTJ-UHFFFAOYSA-N -1 3 304.362 2.319 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC001325246482 1147887401 /nfs/dbraw/zinc/88/74/01/1147887401.db2.gz DAIUSGUSNQXOKH-ZJUUUORDSA-N -1 3 324.377 2.129 20 10 DECDHM CCN(CC)C(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000096970989 185394837 /nfs/dbraw/zinc/39/48/37/185394837.db2.gz KRFCKXBEYFTOGK-INIZCTEOSA-N -1 3 320.433 2.242 20 10 DECDHM CN1CCCc2cc(CNC(=O)c3ccc4n[n-]nc4c3)ccc21 ZINC000057555102 354574272 /nfs/dbraw/zinc/57/42/72/354574272.db2.gz GLLBJXXHTPANPA-UHFFFAOYSA-N -1 3 321.384 2.270 20 10 DECDHM [O-]c1ccc(F)cc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000272284502 285384772 /nfs/dbraw/zinc/38/47/72/285384772.db2.gz NDTLGJJSWCHCNR-UHFFFAOYSA-N -1 3 316.258 2.157 20 10 DECDHM Cc1cc(C)nc(N2CCN(Cc3cc(F)ccc3[O-])CC2)n1 ZINC000272911937 130073863 /nfs/dbraw/zinc/07/38/63/130073863.db2.gz IAPMCCXWQWJOGN-UHFFFAOYSA-N -1 3 316.380 2.260 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccnc(OC)c2)c1 ZINC000273299326 130104749 /nfs/dbraw/zinc/10/47/49/130104749.db2.gz AXJQZRXNKQWAHK-NSHDSACASA-N -1 3 316.357 2.433 20 10 DECDHM COCC1(O)CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000273724512 130159508 /nfs/dbraw/zinc/15/95/08/130159508.db2.gz IUMYYNHANROBHD-UHFFFAOYSA-N -1 3 315.797 2.028 20 10 DECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)COC ZINC000075416579 401759281 /nfs/dbraw/zinc/75/92/81/401759281.db2.gz GLXPRFOUWSJUIL-UHFFFAOYSA-N -1 3 302.168 2.150 20 10 DECDHM C[C@H](C[S@@](C)=O)N(C)Cc1cc(Br)ccc1[O-] ZINC000131042446 401843180 /nfs/dbraw/zinc/84/31/80/401843180.db2.gz SLXVGCXGNJOBEI-XLFHBGCDSA-N -1 3 320.252 2.354 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000089153865 401937087 /nfs/dbraw/zinc/93/70/87/401937087.db2.gz FOSLZQKSWAXSGY-JKSUJKDBSA-N -1 3 323.364 2.114 20 10 DECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@]2(CO)CCc3ccccc32)c1 ZINC000135910651 401955340 /nfs/dbraw/zinc/95/53/40/401955340.db2.gz YDXBYJNFAPRMCJ-KRWDZBQOSA-N -1 3 314.341 2.224 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCOC3(CCOCC3)C2)c1[O-] ZINC000135626814 401948013 /nfs/dbraw/zinc/94/80/13/401948013.db2.gz HADVWTXENCXNKY-UHFFFAOYSA-N -1 3 323.364 2.115 20 10 DECDHM CCNC(=O)CN(CC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184674995 402290928 /nfs/dbraw/zinc/29/09/28/402290928.db2.gz UYFCJWFFHQFIKX-UHFFFAOYSA-N -1 3 300.786 2.012 20 10 DECDHM C[C@@]1(C(N)=O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000235436939 402363827 /nfs/dbraw/zinc/36/38/27/402363827.db2.gz ZCRLDJDPOKFAKX-CYBMUJFWSA-N -1 3 303.189 2.396 20 10 DECDHM CC[C@@]1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1 ZINC000278373922 402863811 /nfs/dbraw/zinc/86/38/11/402863811.db2.gz KYKZSFDXZNLQKY-HNNXBMFYSA-N -1 3 310.350 2.310 20 10 DECDHM CN(CCS(=O)(=O)Cc1ccccc1)Cc1ccccc1[O-] ZINC000279783679 402962062 /nfs/dbraw/zinc/96/20/62/402962062.db2.gz UOYYCOWEIGKFDR-UHFFFAOYSA-N -1 3 319.426 2.439 20 10 DECDHM COC(=O)c1cc(CN(C)C(=O)c2cccc(O)c2[O-])oc1C ZINC000280183204 402973026 /nfs/dbraw/zinc/97/30/26/402973026.db2.gz ULAAJCPENGMUGL-UHFFFAOYSA-N -1 3 319.313 2.058 20 10 DECDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCN1CC(C)(C)O ZINC000276053838 403142341 /nfs/dbraw/zinc/14/23/41/403142341.db2.gz URQBQLTXBAAFQP-GFCCVEGCSA-N -1 3 312.841 2.323 20 10 DECDHM COC(=O)[C@]1(C)CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000282437527 403154255 /nfs/dbraw/zinc/15/42/55/403154255.db2.gz DPNHOUMVLIMGKZ-BMLIUANNSA-N -1 3 323.364 2.365 20 10 DECDHM CCCn1ccnc1CCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000277616627 403237236 /nfs/dbraw/zinc/23/72/36/403237236.db2.gz RFRFXXPYBSMQOJ-UHFFFAOYSA-N -1 3 317.389 2.409 20 10 DECDHM C[C@H]1C[C@@H](O)CCN1Cc1cc(Br)ccc1[O-] ZINC000292859917 403381223 /nfs/dbraw/zinc/38/12/23/403381223.db2.gz VGEHDNXMWAWENO-CABZTGNLSA-N -1 3 300.196 2.500 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000290469762 404181820 /nfs/dbraw/zinc/18/18/20/404181820.db2.gz GFLQIMLLPSFWMA-CQSZACIVSA-N -1 3 324.380 2.375 20 10 DECDHM CON(C)C(=O)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000291344675 404381555 /nfs/dbraw/zinc/38/15/55/404381555.db2.gz WLDCKDZYMLMTAA-UHFFFAOYSA-N -1 3 312.797 2.277 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(C1)OCc1ccccc12 ZINC000366167442 404765695 /nfs/dbraw/zinc/76/56/95/404765695.db2.gz BDZSNZKPQRWOHP-SFHVURJKSA-N -1 3 311.337 2.369 20 10 DECDHM O=C(c1ccco1)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000374909048 275014271 /nfs/dbraw/zinc/01/42/71/275014271.db2.gz GABFYMGCOUBENZ-UHFFFAOYSA-N -1 3 318.348 2.472 20 10 DECDHM O=C(/C=C/c1cncc([O-])c1)N1CCN2CCOc3cccc1c32 ZINC000368066456 336836975 /nfs/dbraw/zinc/83/69/75/336836975.db2.gz YSXMNQMJUDXAAT-SNAWJCMRSA-N -1 3 323.352 2.046 20 10 DECDHM Cc1cc(N(C)C)ccc1CNc1ncccc1-c1nnn[n-]1 ZINC000737271186 599064112 /nfs/dbraw/zinc/06/41/12/599064112.db2.gz SSXWFZOCPQBQEW-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM Cc1cc(N(C)C)ccc1CNc1ncccc1-c1nn[n-]n1 ZINC000737271186 599064114 /nfs/dbraw/zinc/06/41/14/599064114.db2.gz SSXWFZOCPQBQEW-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM Cc1cc(Br)cc(C[N@@H+](C)[C@H](C)C(=O)[O-])c1[O-] ZINC000820953815 598182485 /nfs/dbraw/zinc/18/24/85/598182485.db2.gz FNVAYWANRBGRKH-MRVPVSSYSA-N -1 3 302.168 2.368 20 10 DECDHM Cc1cc(Br)cc(C[N@H+](C)[C@H](C)C(=O)[O-])c1[O-] ZINC000820953815 598182486 /nfs/dbraw/zinc/18/24/86/598182486.db2.gz FNVAYWANRBGRKH-MRVPVSSYSA-N -1 3 302.168 2.368 20 10 DECDHM CN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812746 607436696 /nfs/dbraw/zinc/43/66/96/607436696.db2.gz SNLHGKVGGUHSPQ-UQCOIBPSSA-N -1 3 324.319 2.077 20 10 DECDHM CN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812746 607436697 /nfs/dbraw/zinc/43/66/97/607436697.db2.gz SNLHGKVGGUHSPQ-UQCOIBPSSA-N -1 3 324.319 2.077 20 10 DECDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])N1CCc2ccccc21 ZINC000192982177 625593162 /nfs/dbraw/zinc/59/31/62/625593162.db2.gz TWESCGKDYUGCGA-GFCCVEGCSA-N -1 3 312.369 2.279 20 10 DECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000734851106 633431209 /nfs/dbraw/zinc/43/12/09/633431209.db2.gz VNBMCDDVEIQNBO-CQSZACIVSA-N -1 3 306.293 2.263 20 10 DECDHM CCn1cc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000735676581 633526303 /nfs/dbraw/zinc/52/63/03/633526303.db2.gz SWWCLKXMTNKLQR-UHFFFAOYSA-N -1 3 310.741 2.460 20 10 DECDHM O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc(O)c1[O-] ZINC000836997050 650154680 /nfs/dbraw/zinc/15/46/80/650154680.db2.gz WZPBCVPQGCUDJE-IAQYHMDHSA-N -1 3 314.341 2.143 20 10 DECDHM CCc1cnccc1CNC(=O)NCc1c([O-])cccc1F ZINC000921845206 635545292 /nfs/dbraw/zinc/54/52/92/635545292.db2.gz JWFKGNOMXDLLOX-UHFFFAOYSA-N -1 3 303.337 2.488 20 10 DECDHM CN(C)c1ccnc(CNCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000922477828 636195057 /nfs/dbraw/zinc/19/50/57/636195057.db2.gz FMKXKMFVYPMRMW-UHFFFAOYSA-N -1 3 302.334 2.051 20 10 DECDHM [O-]c1c(Br)cccc1CN1CCSC[C@H]1CO ZINC000877780438 636425902 /nfs/dbraw/zinc/42/59/02/636425902.db2.gz QRNQDSMHQHWKHZ-SNVBAGLBSA-N -1 3 318.236 2.064 20 10 DECDHM COC(=O)[C@H]1CSCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895015983 637377576 /nfs/dbraw/zinc/37/75/76/637377576.db2.gz KAVLSFNPFWVCBM-SNVBAGLBSA-N -1 3 317.357 2.008 20 10 DECDHM Cc1cc([O-])c(CN2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000840907948 650376623 /nfs/dbraw/zinc/37/66/23/650376623.db2.gz KTNBTSWKSNFSDZ-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(F)ccc1[O-] ZINC000895862104 638228475 /nfs/dbraw/zinc/22/84/75/638228475.db2.gz BZCKASUEXDEYAT-KBPBESRZSA-N -1 3 311.353 2.122 20 10 DECDHM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1O ZINC000897675785 640898567 /nfs/dbraw/zinc/89/85/67/640898567.db2.gz CAGVVBWZNXSKGU-HQJQHLMTSA-N -1 3 304.159 2.106 20 10 DECDHM COc1c([O-])c(CN2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775097978 642006673 /nfs/dbraw/zinc/00/66/73/642006673.db2.gz MZYHPYDOKTVONP-DCAQKATOSA-N -1 3 310.350 2.307 20 10 DECDHM COCCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000776332345 642159173 /nfs/dbraw/zinc/15/91/73/642159173.db2.gz CHOFWLVOAWNBRU-UHFFFAOYSA-N -1 3 303.314 2.375 20 10 DECDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1NC(C)=O ZINC000776327656 642159211 /nfs/dbraw/zinc/15/92/11/642159211.db2.gz MENAMLVGARPAOB-UHFFFAOYSA-N -1 3 316.313 2.317 20 10 DECDHM COC(=O)c1cc(OC)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000776644485 642194852 /nfs/dbraw/zinc/19/48/52/642194852.db2.gz ARXKEQORXSYDPZ-UHFFFAOYSA-N -1 3 317.297 2.145 20 10 DECDHM Cc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C)c([O-])c1O ZINC000780881128 642683911 /nfs/dbraw/zinc/68/39/11/642683911.db2.gz HBTUXZQAFRHFGT-UHFFFAOYSA-N -1 3 314.341 2.360 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(OCCO)cc2)c([O-])c1O ZINC000780985528 642699611 /nfs/dbraw/zinc/69/96/11/642699611.db2.gz RKPBWQKQGKMUFN-UHFFFAOYSA-N -1 3 303.314 2.030 20 10 DECDHM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)N1[C@H](C)CC[C@@H]1C ZINC000783781566 643052318 /nfs/dbraw/zinc/05/23/18/643052318.db2.gz YRFSNEZUZKYBRD-GRYCIOLGSA-N -1 3 321.373 2.085 20 10 DECDHM CCOC(=O)Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790766324 643890940 /nfs/dbraw/zinc/89/09/40/643890940.db2.gz VGABFUMAUINDAM-UHFFFAOYSA-N -1 3 315.325 2.456 20 10 DECDHM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790911498 643908631 /nfs/dbraw/zinc/90/86/31/643908631.db2.gz GWSTXYXAFHBQQX-NSHDSACASA-N -1 3 321.373 2.149 20 10 DECDHM CN(CCN1CCCC1=O)Cc1c([O-])ccc(Cl)c1F ZINC000792167417 644082354 /nfs/dbraw/zinc/08/23/54/644082354.db2.gz INKXLCYLSZLWPE-UHFFFAOYSA-N -1 3 300.761 2.239 20 10 DECDHM COc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)c(O)c1 ZINC000793041683 644183755 /nfs/dbraw/zinc/18/37/55/644183755.db2.gz NQJQYHAEDHYXFI-UHFFFAOYSA-N -1 3 320.320 2.245 20 10 DECDHM COC(=O)Cn1ncc(NCc2c([O-])cccc2Cl)c1C ZINC000793274729 644223552 /nfs/dbraw/zinc/22/35/52/644223552.db2.gz MBFDUBXOAMIFFE-UHFFFAOYSA-N -1 3 309.753 2.336 20 10 DECDHM CCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCNC1=O ZINC000799738049 645216214 /nfs/dbraw/zinc/21/62/14/645216214.db2.gz SANRJJMYNVSUHS-LLVKDONJSA-N -1 3 303.189 2.409 20 10 DECDHM CC[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000809724864 646268136 /nfs/dbraw/zinc/26/81/36/646268136.db2.gz CFXQYXUJYQZRRY-GWCFXTLKSA-N -1 3 317.838 2.443 20 10 DECDHM CN(C)c1nccc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000816560640 647152666 /nfs/dbraw/zinc/15/26/66/647152666.db2.gz VYWQETRWCASVLJ-UHFFFAOYSA-N -1 3 310.760 2.331 20 10 DECDHM CCOC(=O)[C@@H](F)C1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000816635863 647161252 /nfs/dbraw/zinc/16/12/52/647161252.db2.gz XPTVOWZERCSHGF-ZDUSSCGKSA-N -1 3 301.745 2.379 20 10 DECDHM Cc1nc(C)c(S(=O)(=O)NCc2c([O-])cccc2F)s1 ZINC000921452080 648320235 /nfs/dbraw/zinc/32/02/35/648320235.db2.gz CSSQGEXLJIXXHL-UHFFFAOYSA-N -1 3 316.379 2.083 20 10 DECDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])[C@@H]2CCC[C@H]21 ZINC000825202812 648724932 /nfs/dbraw/zinc/72/49/32/648724932.db2.gz VMSKAVSOCXMZTK-TZMCWYRMSA-N -1 3 315.822 2.197 20 10 DECDHM Cc1cc([O-])c(CN2CC[C@H](C)S(=O)(=O)CC2)cc1Cl ZINC000825697604 648800753 /nfs/dbraw/zinc/80/07/53/648800753.db2.gz HNHBKWLNRMDRLF-NSHDSACASA-N -1 3 317.838 2.363 20 10 DECDHM Cc1ccc(C(=O)Nc2cnn(Cc3ccccn3)c2)c([O-])c1O ZINC000182278297 648863538 /nfs/dbraw/zinc/86/35/38/648863538.db2.gz ROHXTHSDCCPHJR-UHFFFAOYSA-N -1 3 324.340 2.298 20 10 DECDHM COc1c([O-])c(CN2C[C@@H](C)OCC23CCC3)ccc1[N+](=O)[O-] ZINC000846067392 651306098 /nfs/dbraw/zinc/30/60/98/651306098.db2.gz RHDUJLFAWYKEJE-LLVKDONJSA-N -1 3 322.361 2.452 20 10 DECDHM CCC(C)(C)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000848390618 651455444 /nfs/dbraw/zinc/45/54/44/651455444.db2.gz CPOJCGWVCJYUBE-UHFFFAOYSA-N -1 3 310.369 2.183 20 10 DECDHM CS(=O)(=O)CC1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000380554393 685397150 /nfs/dbraw/zinc/39/71/50/685397150.db2.gz YEIQOXRFEBMRAR-UHFFFAOYSA-N -1 3 317.838 2.302 20 10 DECDHM CN(C)c1ccc(CNC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000029185466 683877131 /nfs/dbraw/zinc/87/71/31/683877131.db2.gz QXHWSUKJJPLCGI-SFQUDFHCSA-N -1 3 321.380 2.153 20 10 DECDHM CN(C)C(=O)C1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928705044 693830288 /nfs/dbraw/zinc/83/02/88/693830288.db2.gz CNSYYKBRERNCNT-UHFFFAOYSA-N -1 3 322.380 2.042 20 10 DECDHM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928706159 693830703 /nfs/dbraw/zinc/83/07/03/693830703.db2.gz OKRLJQZEXGDILN-KOLCDFICSA-N -1 3 303.337 2.237 20 10 DECDHM O=C(NCCOc1ccc(F)c(F)c1)c1cccc(O)c1[O-] ZINC000188433008 684356051 /nfs/dbraw/zinc/35/60/51/684356051.db2.gz CHMIUTSIJGNIHF-UHFFFAOYSA-N -1 3 309.268 2.185 20 10 DECDHM Cc1noc(CN(C)Cc2c([O-])cccc2Br)n1 ZINC000862405744 686293621 /nfs/dbraw/zinc/29/36/21/686293621.db2.gz IKOHTUYKXNSDFC-UHFFFAOYSA-N -1 3 312.167 2.478 20 10 DECDHM Cc1nocc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000866485787 687587965 /nfs/dbraw/zinc/58/79/65/687587965.db2.gz RHYCMMMAVCLYST-UHFFFAOYSA-N -1 3 321.402 2.062 20 10 DECDHM O=C1CCCN1C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876690959 689904302 /nfs/dbraw/zinc/90/43/02/689904302.db2.gz WBIAKBQFPWYAIO-UHFFFAOYSA-N -1 3 310.344 2.257 20 10 DECDHM [O-]c1c(F)cc(F)cc1CNC[C@H](n1cncn1)C(F)(F)F ZINC000883194009 691454308 /nfs/dbraw/zinc/45/43/08/691454308.db2.gz LTMSJDKWVFHYKT-JTQLQIEISA-N -1 3 322.237 2.155 20 10 DECDHM C[C@H](NCCS(=O)(=O)C(C)(C)C)c1c([O-])cccc1F ZINC000886547048 692106873 /nfs/dbraw/zinc/10/68/73/692106873.db2.gz DMNOXDQDKQPWFA-JTQLQIEISA-N -1 3 303.399 2.395 20 10 DECDHM CC[C@](O)(CCC(F)(F)F)CNC(=O)c1cccc(O)c1[O-] ZINC000887513007 692386999 /nfs/dbraw/zinc/38/69/99/692386999.db2.gz YCZGSIAMNLGLCO-ZDUSSCGKSA-N -1 3 321.295 2.311 20 10 DECDHM CN(C)Cc1cc(NC(=O)NCc2c([O-])cccc2F)ccn1 ZINC000932175298 694567471 /nfs/dbraw/zinc/56/74/71/694567471.db2.gz XAYWWGWWULKFRH-UHFFFAOYSA-N -1 3 318.352 2.310 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H](c1ncccn1)C1CC1 ZINC000925480018 693279564 /nfs/dbraw/zinc/27/95/64/693279564.db2.gz DFJUMQNHBCEWPY-CQSZACIVSA-N -1 3 316.336 2.272 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCNCC(F)(F)C1 ZINC001210813984 776956864 /nfs/dbraw/zinc/95/68/64/776956864.db2.gz ACNHHFMGLLVCMX-UHFFFAOYSA-N -1 3 321.165 2.195 20 10 DECDHM C[C@@H]1CN(Cc2cc(Br)c(F)cc2[O-])CC[C@@H]1O ZINC001144298956 790848783 /nfs/dbraw/zinc/84/87/83/790848783.db2.gz MRNGUPNSIFSCKV-PELKAZGASA-N -1 3 318.186 2.497 20 10 DECDHM C[C@H]1C(=O)CCN(C(=O)c2cccc(O)c2[O-])C12CCCC2 ZINC001148219122 791711924 /nfs/dbraw/zinc/71/19/24/791711924.db2.gz UEDLXPWXDZQDGA-NSHDSACASA-N -1 3 303.358 2.462 20 10 DECDHM O=C(NCc1cccc(-c2c[nH]cn2)c1)c1cccc(O)c1[O-] ZINC001148225925 791716397 /nfs/dbraw/zinc/71/63/97/791716397.db2.gz XQBIKJNOSVUMBN-UHFFFAOYSA-N -1 3 309.325 2.418 20 10 DECDHM C[C@@H](Oc1ccc(C=O)cc1)C(=O)NCc1c([O-])cccc1F ZINC001178412616 794921527 /nfs/dbraw/zinc/92/15/27/794921527.db2.gz BOEIKFSIWAVWFZ-LLVKDONJSA-N -1 3 317.316 2.428 20 10 DECDHM COC[C@@H]1Cn2nccc2CN(Cc2cccc(F)c2[O-])C1 ZINC001138127110 796166955 /nfs/dbraw/zinc/16/69/55/796166955.db2.gz PDMKSPKKHNNTIQ-LBPRGKRZSA-N -1 3 305.353 2.006 20 10 DECDHM CO[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H]1F ZINC001203635964 796390976 /nfs/dbraw/zinc/39/09/76/796390976.db2.gz LFIPWYIAZTVFNU-CMPLNLGQSA-N -1 3 304.159 2.323 20 10 DECDHM Cc1ccnc(O[C@@H]2CCN(Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142531025 796747981 /nfs/dbraw/zinc/74/79/81/796747981.db2.gz NRZXPNOZOAOUFE-GFCCVEGCSA-N -1 3 321.327 2.422 20 10 DECDHM COc1cc([O-])c(C(=O)NCc2ccccc2O)c(OC)c1 ZINC001190145184 796938331 /nfs/dbraw/zinc/93/83/31/796938331.db2.gz LEGAGOOZMIMOQR-UHFFFAOYSA-N -1 3 303.314 2.045 20 10 DECDHM Cc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1F ZINC001195138324 797841792 /nfs/dbraw/zinc/84/17/92/797841792.db2.gz WYZFDTLJWXDGAI-UHFFFAOYSA-N -1 3 313.325 2.457 20 10 DECDHM CCN1CC(Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229187350 801238999 /nfs/dbraw/zinc/23/89/99/801238999.db2.gz ZFJMGPDYDVCYSE-UHFFFAOYSA-N -1 3 323.348 2.251 20 10 DECDHM COc1cc([O-])c(CN2CCO[C@]3(CCOC3)C2)cc1Cl ZINC001232266675 801833549 /nfs/dbraw/zinc/83/35/49/801833549.db2.gz QYPHELGSSOSQEC-OAHLLOKOSA-N -1 3 313.781 2.046 20 10 DECDHM COc1cc([O-])c(CN2CCC(=O)CC2)cc1Br ZINC001233135049 802034119 /nfs/dbraw/zinc/03/41/19/802034119.db2.gz KJSVRHUNRSQUGG-UHFFFAOYSA-N -1 3 314.179 2.328 20 10 DECDHM CN(C)C(=O)[C@@H]1CCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418574 802111149 /nfs/dbraw/zinc/11/11/49/802111149.db2.gz MIHUEHRDULZUDN-LBPRGKRZSA-N -1 3 316.323 2.464 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1C[C@@H](O)C1 ZINC001218417613 802179965 /nfs/dbraw/zinc/17/99/65/802179965.db2.gz PBHRTPCYGNHWIH-TXEJJXNPSA-N -1 3 300.310 2.231 20 10 DECDHM O=CNc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001220283108 802439201 /nfs/dbraw/zinc/43/92/01/802439201.db2.gz JCRRYPCHSKOKNM-UHFFFAOYSA-N -1 3 303.293 2.421 20 10 DECDHM C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246562 994454582 /nfs/dbraw/zinc/45/45/82/994454582.db2.gz ACWOFLLISBIKDV-LADRHHBVSA-N -1 3 311.403 2.042 20 10 DECDHM C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248247 994470758 /nfs/dbraw/zinc/47/07/58/994470758.db2.gz UCAHJBJVHISHSW-DGCLKSJQSA-N -1 3 319.357 2.185 20 10 DECDHM C[C@H]([NH2+]CCNc1ccccn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273347 994618571 /nfs/dbraw/zinc/61/85/71/994618571.db2.gz WOJHHIXVNBQOSP-NSHDSACASA-N -1 3 301.346 2.248 20 10 DECDHM C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603655793 1070024821 /nfs/dbraw/zinc/02/48/21/1070024821.db2.gz ARJWKJSZCFONDV-ZJUUUORDSA-N -1 3 305.407 2.119 20 10 DECDHM CCC[C@](C)(O)C[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604127744 1070235465 /nfs/dbraw/zinc/23/54/65/1070235465.db2.gz FNSLFNREGQQICC-BBRMVZONSA-N -1 3 319.409 2.164 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1c[nH]nc1-c1cccnc1 ZINC001646033571 1079084105 /nfs/dbraw/zinc/08/41/05/1079084105.db2.gz AUXKHQBKFSSALA-UHFFFAOYSA-N -1 3 312.304 2.246 20 10 DECDHM Cc1[nH]nc2ncc(C(=O)NCc3c([O-])cccc3F)cc12 ZINC001558455103 1075094704 /nfs/dbraw/zinc/09/47/04/1075094704.db2.gz OLPAMIAWTCFQPX-UHFFFAOYSA-N -1 3 300.293 2.041 20 10 DECDHM CC(=O)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1O ZINC001558454689 1075094973 /nfs/dbraw/zinc/09/49/73/1075094973.db2.gz JUOHIGLDTNMCGB-UHFFFAOYSA-N -1 3 303.289 2.370 20 10 DECDHM COC(=O)CN(CCC(F)(F)F)Cc1cc(F)ccc1[O-] ZINC001560648503 1075144925 /nfs/dbraw/zinc/14/49/25/1075144925.db2.gz PHVNUVBRFKHDPH-UHFFFAOYSA-N -1 3 309.259 2.459 20 10 DECDHM O=C(N[C@@H]1CCOc2c(F)cccc21)c1cccc(O)c1[O-] ZINC001566049298 1075220571 /nfs/dbraw/zinc/22/05/71/1075220571.db2.gz WYGHMIVEAJKYFQ-GFCCVEGCSA-N -1 3 303.289 2.491 20 10 DECDHM Cc1ncccc1C=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001581557286 1076080012 /nfs/dbraw/zinc/08/00/12/1076080012.db2.gz IWSACEUSQWXZJU-HJWRWDBZSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ncccc1C=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001581557286 1076080018 /nfs/dbraw/zinc/08/00/18/1076080018.db2.gz IWSACEUSQWXZJU-HJWRWDBZSA-N -1 3 320.356 2.246 20 10 DECDHM C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590244330 1076597090 /nfs/dbraw/zinc/59/70/90/1076597090.db2.gz TWANHOJGNSUIMK-WOPDTQHZSA-N -1 3 317.393 2.181 20 10 DECDHM CCOC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C(C)C ZINC001590800446 1076678944 /nfs/dbraw/zinc/67/89/44/1076678944.db2.gz POGYWMYQTIWTSU-FZMZJTMJSA-N -1 3 319.409 2.284 20 10 DECDHM CCOCCCC[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590811228 1076680296 /nfs/dbraw/zinc/68/02/96/1076680296.db2.gz RJCBNISZRTYXRS-CQSZACIVSA-N -1 3 319.409 2.430 20 10 DECDHM Cc1cccnc1CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001592263001 1076885268 /nfs/dbraw/zinc/88/52/68/1076885268.db2.gz JLUUPHXKJQKUML-LBPRGKRZSA-N -1 3 324.388 2.169 20 10 DECDHM COC(=O)c1cc(C)c(C(=O)NCc2c([O-])cccc2F)o1 ZINC001596917173 1077084703 /nfs/dbraw/zinc/08/47/03/1077084703.db2.gz XZGIXIWSAYTJBW-UHFFFAOYSA-N -1 3 307.277 2.149 20 10 DECDHM C[S@](=O)Cc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001596913469 1077085089 /nfs/dbraw/zinc/08/50/89/1077085089.db2.gz ZSCVRMHBCAZNET-QFIPXVFZSA-N -1 3 321.373 2.340 20 10 DECDHM Nc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC001608272340 1077619024 /nfs/dbraw/zinc/61/90/24/1077619024.db2.gz FMYKBFOVHUDOIR-MNOVXSKESA-N -1 3 302.296 2.354 20 10 DECDHM COc1cc([O-])c(CN2C[C@H](F)C[C@H](CO)C2)c(Cl)c1 ZINC001236797280 1079942647 /nfs/dbraw/zinc/94/26/47/1079942647.db2.gz DMRJIVLDWFZWNV-VHSXEESVSA-N -1 3 303.761 2.207 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](F)[C@H](O)C2)c1 ZINC001236663705 1138392277 /nfs/dbraw/zinc/39/22/77/1138392277.db2.gz OZSMWECYBQSECM-VXGBXAGGSA-N -1 3 318.186 2.368 20 10 DECDHM CNC(=O)C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237946850 1138812013 /nfs/dbraw/zinc/81/20/13/1138812013.db2.gz MLNAANXLUPXPRG-UHFFFAOYSA-N -1 3 300.761 2.143 20 10 DECDHM COc1cc(O)ccc1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260628064 1144191852 /nfs/dbraw/zinc/19/18/52/1144191852.db2.gz CWAQHJWLADLNHU-UHFFFAOYSA-N -1 3 311.334 2.482 20 10 DECDHM CC(=O)NCC1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079402416 355308388 /nfs/dbraw/zinc/30/83/88/355308388.db2.gz XOULOVMKHRLMQE-UHFFFAOYSA-N -1 3 322.380 2.082 20 10 DECDHM C[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273546579 299353399 /nfs/dbraw/zinc/35/33/99/299353399.db2.gz ZLCOBEAIHDOELZ-WDEREUQCSA-N -1 3 321.377 2.350 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000273580566 130139695 /nfs/dbraw/zinc/13/96/95/130139695.db2.gz MOTMPTSGQQBLHL-MNOVXSKESA-N -1 3 322.405 2.133 20 10 DECDHM Cc1ccc(C(=O)N2CCC(c3ccncn3)CC2)c([O-])c1O ZINC000298585988 132069660 /nfs/dbraw/zinc/06/96/60/132069660.db2.gz LWLXVXMHDTVKCR-UHFFFAOYSA-N -1 3 313.357 2.216 20 10 DECDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(C2CC2)no1 ZINC000193014645 402761016 /nfs/dbraw/zinc/76/10/16/402761016.db2.gz AMTGBPLBSHCMBE-GFCCVEGCSA-N -1 3 317.345 2.485 20 10 DECDHM Cc1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)c([O-])c1O ZINC000271299861 402855147 /nfs/dbraw/zinc/85/51/47/402855147.db2.gz SCIUBYGNEMMRAS-UHFFFAOYSA-N -1 3 301.346 2.149 20 10 DECDHM COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccco1 ZINC000278553070 402867815 /nfs/dbraw/zinc/86/78/15/402867815.db2.gz ZLDNPWYSBUQSNG-LLVKDONJSA-N -1 3 322.317 2.379 20 10 DECDHM CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280601483 403017338 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311.744 2.201 20 10 DECDHM COC(=O)[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000768459611 641085187 /nfs/dbraw/zinc/08/51/87/641085187.db2.gz DWEOZWNYQVXGFC-JTQLQIEISA-N -1 3 314.179 2.150 20 10 DECDHM COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(Cl)ccc1[O-] ZINC000770356488 641359627 /nfs/dbraw/zinc/35/96/27/641359627.db2.gz XDRBRNCVYFFSAX-CYBMUJFWSA-N -1 3 315.797 2.444 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCOC12CCCC2 ZINC000898746103 641769342 /nfs/dbraw/zinc/76/93/42/641769342.db2.gz HDAQKDDXWPFFAO-AWEZNQCLSA-N -1 3 308.353 2.432 20 10 DECDHM CCc1nc(NC(=O)c2cccc(O)c2[O-])sc1C(=O)OC ZINC000776356348 642161463 /nfs/dbraw/zinc/16/14/63/642161463.db2.gz ATLKEQNLQIMSDP-UHFFFAOYSA-N -1 3 322.342 2.156 20 10 DECDHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc2[nH]1 ZINC000776744495 642202862 /nfs/dbraw/zinc/20/28/62/642202862.db2.gz JSBJJAZRDFULIT-UHFFFAOYSA-N -1 3 316.338 2.035 20 10 DECDHM O=C(N1CCCCC1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778995410 642453521 /nfs/dbraw/zinc/45/35/21/642453521.db2.gz 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ZINC000855143942 651632445 /nfs/dbraw/zinc/63/24/45/651632445.db2.gz ARDZULJRERCAGB-JTQLQIEISA-N -1 3 314.407 2.024 20 10 DECDHM COC(=O)NC1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000852769182 652453260 /nfs/dbraw/zinc/45/32/60/652453260.db2.gz PWLRTSRQCQEQDH-UHFFFAOYSA-N -1 3 324.352 2.054 20 10 DECDHM CCN(Cc1cc(Cl)ccc1[O-])[C@H](C)CS(C)(=O)=O ZINC000093390623 684049257 /nfs/dbraw/zinc/04/92/57/684049257.db2.gz BUNINMNVSHIRRZ-SNVBAGLBSA-N -1 3 305.827 2.301 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCC2(C1)OCCO2 ZINC000093012796 684047217 /nfs/dbraw/zinc/04/72/17/684047217.db2.gz PNELPUNULSYEEP-UHFFFAOYSA-N -1 3 314.179 2.104 20 10 DECDHM CC(C)NC(=O)CN(C)Cc1cccc(Br)c1[O-] ZINC000133382607 684219222 /nfs/dbraw/zinc/21/92/22/684219222.db2.gz JLIPHOCENZLOLB-UHFFFAOYSA-N -1 3 315.211 2.111 20 10 DECDHM O=C(Nc1cccc(OCC(F)F)n1)c1cccc(O)c1[O-] ZINC000193150478 685033532 /nfs/dbraw/zinc/03/35/32/685033532.db2.gz BRZIQHAEDHGTGT-UHFFFAOYSA-N -1 3 310.256 2.389 20 10 DECDHM CCON(CC)C(=O)CNCc1cc(Cl)cc(F)c1[O-] ZINC000862452774 686304132 /nfs/dbraw/zinc/30/41/32/686304132.db2.gz OCDZCHNSCLQNMS-UHFFFAOYSA-N -1 3 304.749 2.074 20 10 DECDHM Cc1csc([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000874497889 689426834 /nfs/dbraw/zinc/42/68/34/689426834.db2.gz RCNYDYFFKGQVMQ-SNVBAGLBSA-N -1 3 304.371 2.492 20 10 DECDHM COc1cc(CNCc2cccc(Br)c2[O-])on1 ZINC000877635494 690174824 /nfs/dbraw/zinc/17/48/24/690174824.db2.gz TYFINCHJDCGZSX-UHFFFAOYSA-N -1 3 313.151 2.441 20 10 DECDHM [O-]c1cccc(Br)c1CN1CCSC[C@@H]1CO ZINC000877780506 690225456 /nfs/dbraw/zinc/22/54/56/690225456.db2.gz STGDYFXYIKPCGK-VIFPVBQESA-N -1 3 318.236 2.064 20 10 DECDHM Cc1ccc(C(=O)Nc2ccnn2[C@H]2CCCOC2)c([O-])c1O ZINC000890335061 692915464 /nfs/dbraw/zinc/91/54/64/692915464.db2.gz UVNXRLHGQCJRBF-NSHDSACASA-N -1 3 317.345 2.207 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@H](c1ncccn1)C1CC1 ZINC000925480017 693279500 /nfs/dbraw/zinc/27/95/00/693279500.db2.gz DFJUMQNHBCEWPY-AWEZNQCLSA-N -1 3 316.336 2.272 20 10 DECDHM O=C(CNc1ccc(Cn2ccnc2)cn1)c1ccc([O-])c(O)c1 ZINC001170315654 786903912 /nfs/dbraw/zinc/90/39/12/786903912.db2.gz FFVFNYOJGSOCDW-UHFFFAOYSA-N -1 3 324.340 2.032 20 10 DECDHM Cn1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001147287788 791502326 /nfs/dbraw/zinc/50/23/26/791502326.db2.gz VIQLECNDAPWSNW-UHFFFAOYSA-N -1 3 316.748 2.257 20 10 DECDHM O=C(Nc1cccc2[nH]c(=O)ccc12)c1cc(O)c([O-])c(O)c1 ZINC001148585856 791777843 /nfs/dbraw/zinc/77/78/43/791777843.db2.gz BDIYZNWDSAPZHB-UHFFFAOYSA-N -1 3 312.281 2.310 20 10 DECDHM CC(C)[C@H](O)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001179607149 795142100 /nfs/dbraw/zinc/14/21/00/795142100.db2.gz JSFNBTIMBBCKPX-ZDUSSCGKSA-N -1 3 308.765 2.227 20 10 DECDHM CC(C)NC(=O)N[C@H]1CCCN(Cc2c([O-])cccc2F)C1 ZINC001137841605 796145071 /nfs/dbraw/zinc/14/50/71/796145071.db2.gz MCBBNOKPPKHMFD-LBPRGKRZSA-N -1 3 309.385 2.203 20 10 DECDHM O=C1CCC[C@@]2(CCCN(Cc3c(F)ccc(F)c3[O-])C2)N1 ZINC001139681753 796409906 /nfs/dbraw/zinc/40/99/06/796409906.db2.gz DPNKGDKASCNRGR-INIZCTEOSA-N -1 3 310.344 2.305 20 10 DECDHM O=C1CCC[C@]2(CCCN(Cc3c([O-])cc(F)cc3F)C2)N1 ZINC001140581214 796540839 /nfs/dbraw/zinc/54/08/39/796540839.db2.gz RWNUFBUPPIEVOD-MRXNPFEDSA-N -1 3 310.344 2.305 20 10 DECDHM O=C1CCN(Cc2cc(Br)ccc2[O-])C[C@H]1F ZINC001203645571 800095491 /nfs/dbraw/zinc/09/54/91/800095491.db2.gz MKNHIRVDUSFVDJ-SNVBAGLBSA-N -1 3 302.143 2.268 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CC(=O)NC[C@@H]2C(C)(C)C)c1[O-] ZINC000933825455 800189612 /nfs/dbraw/zinc/18/96/12/800189612.db2.gz TTYVRYRYMOHCLB-CQSZACIVSA-N -1 3 322.380 2.080 20 10 DECDHM Cc1cc(OC2CN(C)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542284 801290555 /nfs/dbraw/zinc/29/05/55/801290555.db2.gz LCRIBMGSFJUHKM-UHFFFAOYSA-N -1 3 323.348 2.169 20 10 DECDHM COC(=O)N1CCCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232260849 801830577 /nfs/dbraw/zinc/83/05/77/801830577.db2.gz RWIRZIUYCMPQNX-UHFFFAOYSA-N -1 3 314.769 2.025 20 10 DECDHM C[C@H]1C(=O)N(C)CCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454765 802121227 /nfs/dbraw/zinc/12/12/27/802121227.db2.gz JNEUIWKPYGERTJ-VIFPVBQESA-N -1 3 302.296 2.074 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC1CC(O)C1 ZINC001218257306 802161322 /nfs/dbraw/zinc/16/13/22/802161322.db2.gz PBHRTPCYGNHWIH-UHFFFAOYSA-N -1 3 300.310 2.231 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1C[C@H](O)C1 ZINC001218360626 802172283 /nfs/dbraw/zinc/17/22/83/802172283.db2.gz PBHRTPCYGNHWIH-HAQNSBGRSA-N -1 3 300.310 2.231 20 10 DECDHM CN(CCNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001222454194 802688366 /nfs/dbraw/zinc/68/83/66/802688366.db2.gz OYEJIEVJALXGJE-UHFFFAOYSA-N -1 3 317.364 2.467 20 10 DECDHM COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)c2c1 ZINC001599636943 994302300 /nfs/dbraw/zinc/30/23/00/994302300.db2.gz YALOLMWTQDJPER-QLPKVWCKSA-N -1 3 313.353 2.316 20 10 DECDHM COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)c2c1 ZINC001599636943 994302312 /nfs/dbraw/zinc/30/23/12/994302312.db2.gz YALOLMWTQDJPER-QLPKVWCKSA-N -1 3 313.353 2.316 20 10 DECDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccccc1O ZINC001602972194 1069815053 /nfs/dbraw/zinc/81/50/53/1069815053.db2.gz WIQFNYMWYZZVFM-UHFFFAOYSA-N -1 3 309.329 2.387 20 10 DECDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1ccccc1O ZINC001602972194 1069815069 /nfs/dbraw/zinc/81/50/69/1069815069.db2.gz WIQFNYMWYZZVFM-UHFFFAOYSA-N -1 3 309.329 2.387 20 10 DECDHM CC[C@@H]([NH2+]CC1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056740 1070190670 /nfs/dbraw/zinc/19/06/70/1070190670.db2.gz VOVUGBINFKOADZ-CQSZACIVSA-N -1 3 317.393 2.040 20 10 DECDHM CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056588 1070191161 /nfs/dbraw/zinc/19/11/61/1070191161.db2.gz VCQNXUCEMMUBQM-BXUZGUMPSA-N -1 3 319.409 2.022 20 10 DECDHM C[C@H]([NH2+]CCOc1ncccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339685 1070337334 /nfs/dbraw/zinc/33/73/34/1070337334.db2.gz BDEMPKXOXHTEAH-JTQLQIEISA-N -1 3 320.320 2.354 20 10 DECDHM COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604995477 1070559245 /nfs/dbraw/zinc/55/92/45/1070559245.db2.gz IXYAHMKSIKZDPQ-NXEZZACHSA-N -1 3 305.382 2.036 20 10 DECDHM CCOc1ccc(C[NH2+]Cc2cc(C(=O)[O-])c(C)n2C)c([O-])c1 ZINC001605692009 1070846505 /nfs/dbraw/zinc/84/65/05/1070846505.db2.gz UPJOSPDZBOIZDC-UHFFFAOYSA-N -1 3 318.373 2.426 20 10 DECDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])C[C@@]2(CCCOC2)O1 ZINC001462156932 1058771500 /nfs/dbraw/zinc/77/15/00/1058771500.db2.gz VKMSSGYQOZRPRV-BDJLRTHQSA-N -1 3 313.344 2.440 20 10 DECDHM CNC(=O)c1cc(C)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001465380856 1059297444 /nfs/dbraw/zinc/29/74/44/1059297444.db2.gz FBQFXMFODUYJKE-UHFFFAOYSA-N -1 3 300.314 2.018 20 10 DECDHM CCN(Cc1ccc(Cl)cc1[O-])[C@H](C)CS(C)(=O)=O ZINC001621182009 1078170559 /nfs/dbraw/zinc/17/05/59/1078170559.db2.gz QMYCFWVZMIFWMW-SNVBAGLBSA-N -1 3 305.827 2.301 20 10 DECDHM O=C(NCCO)c1ccc(NCc2ccc(Cl)cc2[O-])cc1 ZINC001621293347 1078172362 /nfs/dbraw/zinc/17/23/62/1078172362.db2.gz ABGPPRLDNKKFFE-UHFFFAOYSA-N -1 3 320.776 2.380 20 10 DECDHM CC(C)(C)OC(=O)C1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC001629661382 1078323441 /nfs/dbraw/zinc/32/34/41/1078323441.db2.gz KXRIGWXJWLFQOL-UHFFFAOYSA-N -1 3 321.373 2.482 20 10 DECDHM C[C@@](O)(Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001635361200 1078449062 /nfs/dbraw/zinc/44/90/62/1078449062.db2.gz ZOHZHNNFSLLOGW-QGZVFWFLSA-N -1 3 303.333 2.141 20 10 DECDHM COC(OC)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001634993706 1078441822 /nfs/dbraw/zinc/44/18/22/1078441822.db2.gz WRAKXXWVEZMLIJ-AWEZNQCLSA-N -1 3 317.341 2.188 20 10 DECDHM COC(OC)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001634993707 1078441879 /nfs/dbraw/zinc/44/18/79/1078441879.db2.gz WRAKXXWVEZMLIJ-CQSZACIVSA-N -1 3 317.341 2.188 20 10 DECDHM Cc1csc2nc(CC(=O)NCc3c([O-])cccc3F)cn12 ZINC001646033518 1079083847 /nfs/dbraw/zinc/08/38/47/1079083847.db2.gz ADKWNFUNFNCVRD-UHFFFAOYSA-N -1 3 319.361 2.408 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1conc1C(F)(F)F ZINC001646034516 1079084686 /nfs/dbraw/zinc/08/46/86/1079084686.db2.gz KUWHGXUZWQXTTP-UHFFFAOYSA-N -1 3 304.199 2.468 20 10 DECDHM C[C@@H]1OCC[C@]12CN(Cc1cc(F)c(F)cc1[O-])C[C@@H](C)O2 ZINC001560803653 1075145924 /nfs/dbraw/zinc/14/59/24/1075145924.db2.gz CDCADHYADBIEQO-GDLVEWKHSA-N -1 3 313.344 2.439 20 10 DECDHM C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589974983 1076540325 /nfs/dbraw/zinc/54/03/25/1076540325.db2.gz DLEMBHVRCNRSFG-MRVPVSSYSA-N -1 3 309.320 2.268 20 10 DECDHM CCC[C@@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])OCC ZINC001590556989 1076652032 /nfs/dbraw/zinc/65/20/32/1076652032.db2.gz DMKVSQDRYIFZAN-NEPJUHHUSA-N -1 3 319.409 2.428 20 10 DECDHM Cc1ncc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])s1 ZINC001592411419 1076910867 /nfs/dbraw/zinc/91/08/67/1076910867.db2.gz SGISHDQTPPGNBL-MRVPVSSYSA-N -1 3 316.390 2.188 20 10 DECDHM Cc1cc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])nn1C ZINC001600187836 1077155152 /nfs/dbraw/zinc/15/51/52/1077155152.db2.gz INTAUMPDZGIDOA-LLVKDONJSA-N -1 3 303.362 2.026 20 10 DECDHM Cc1nnc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])s1 ZINC001600795579 1077272445 /nfs/dbraw/zinc/27/24/45/1077272445.db2.gz OVHPMXLJZYKMOV-MRVPVSSYSA-N -1 3 307.375 2.144 20 10 DECDHM O=C([O-])[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc2c(c1)CCO2 ZINC001601675113 1077430407 /nfs/dbraw/zinc/43/04/07/1077430407.db2.gz VDGHWZLILXMEPY-INIZCTEOSA-N -1 3 317.316 2.382 20 10 DECDHM CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001610018751 1077968959 /nfs/dbraw/zinc/96/89/59/1077968959.db2.gz OHIOLMIFLQWTDG-UHTWSYAYSA-N -1 3 321.373 2.473 20 10 DECDHM C[C@H](NC(=O)c1cccs1)C(=O)NCc1c([O-])cccc1F ZINC001652295273 1079864333 /nfs/dbraw/zinc/86/43/33/1079864333.db2.gz FJPDPJCNYIWGLD-VIFPVBQESA-N -1 3 322.361 2.028 20 10 DECDHM CS(=O)(=O)c1cccc(CNCc2c([O-])cccc2F)c1 ZINC001653131317 1079915064 /nfs/dbraw/zinc/91/50/64/1079915064.db2.gz JLAUFDCUTJNQEX-UHFFFAOYSA-N -1 3 309.362 2.225 20 10 DECDHM Cc1cc(F)cc(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001671686674 1081533370 /nfs/dbraw/zinc/53/33/70/1081533370.db2.gz RSVKBECLPYAQIH-UHFFFAOYSA-N -1 3 313.325 2.457 20 10 DECDHM COc1ccc(CN2CCC[C@@]23CCN(C)C3=O)c([O-])c1Cl ZINC001274657478 1091356674 /nfs/dbraw/zinc/35/66/74/1091356674.db2.gz YAIBOBZOTVVKJT-INIZCTEOSA-N -1 3 324.808 2.251 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](F)[C@H](O)C2)c1 ZINC001236663699 1138391719 /nfs/dbraw/zinc/39/17/19/1138391719.db2.gz OZSMWECYBQSECM-NWDGAFQWSA-N -1 3 318.186 2.368 20 10 DECDHM CC(=O)N[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236798650 1138431363 /nfs/dbraw/zinc/43/13/63/1138431363.db2.gz JHEKOBIDKYSPFJ-JTQLQIEISA-N -1 3 303.189 2.409 20 10 DECDHM COc1ccc(CN2CC[C@@H](N(C)C(C)=O)C2)c([O-])c1Cl ZINC001236810663 1138436969 /nfs/dbraw/zinc/43/69/69/1138436969.db2.gz XDBISDOGTKAJCQ-GFCCVEGCSA-N -1 3 312.797 2.107 20 10 DECDHM COc1cc([O-])c(CN2CCN[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC001236995621 1138478040 /nfs/dbraw/zinc/47/80/40/1138478040.db2.gz KBACGEMDKUNJPV-LBPRGKRZSA-N -1 3 324.730 2.390 20 10 DECDHM CN1CCC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)C1=O ZINC001237087039 1138500503 /nfs/dbraw/zinc/50/05/03/1138500503.db2.gz SOHFJVJYVNYBCA-UHFFFAOYSA-N -1 3 315.200 2.363 20 10 DECDHM CNC(=O)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237808121 1138798313 /nfs/dbraw/zinc/79/83/13/1138798313.db2.gz QYUAJTAYWDDELI-UHFFFAOYSA-N -1 3 300.761 2.143 20 10 DECDHM CCCNC(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001290514328 1146837401 /nfs/dbraw/zinc/83/74/01/1146837401.db2.gz KWQXXKHYCZGVOH-UHFFFAOYSA-N -1 3 314.341 2.490 20 10 DECDHM CN(C)c1ccc(NC(=O)NCc2c([O-])cccc2F)cn1 ZINC001310124606 1147513989 /nfs/dbraw/zinc/51/39/89/1147513989.db2.gz VOZBPZSJBKLGRV-UHFFFAOYSA-N -1 3 304.325 2.314 20 10 DECDHM COCCn1cc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC001327069252 1148320179 /nfs/dbraw/zinc/32/01/79/1148320179.db2.gz STRIBGXQYBEURU-JTQLQIEISA-N -1 3 311.332 2.364 20 10 DECDHM COC(=O)[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079411488 185170171 /nfs/dbraw/zinc/17/01/71/185170171.db2.gz PSEXUXGJCWVFJC-NSHDSACASA-N -1 3 309.337 2.119 20 10 DECDHM CCN(CC)C(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000096970990 185394869 /nfs/dbraw/zinc/39/48/69/185394869.db2.gz KRFCKXBEYFTOGK-MRXNPFEDSA-N -1 3 320.433 2.242 20 10 DECDHM CCCNC(=O)CN(CCC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079400765 355308232 /nfs/dbraw/zinc/30/82/32/355308232.db2.gz NNSQHAMRHXJVPN-UHFFFAOYSA-N -1 3 324.396 2.472 20 10 DECDHM CCOc1ccc([O-])c([C@H]2NC(=O)CN2Cc2ccccc2)c1 ZINC000112370030 401742036 /nfs/dbraw/zinc/74/20/36/401742036.db2.gz JBPXWOIBIYBRDB-SFHVURJKSA-N -1 3 312.369 2.422 20 10 DECDHM Cc1ccc(C(=O)N2CCOCC3(CCCC3)C2)c([O-])c1O ZINC000372234064 404489238 /nfs/dbraw/zinc/48/92/38/404489238.db2.gz VVPZIGDBENNRAK-UHFFFAOYSA-N -1 3 305.374 2.439 20 10 DECDHM Cc1cc(Br)cc(CNCC(F)(F)CO)c1[O-] ZINC000185661987 402367974 /nfs/dbraw/zinc/36/79/74/402367974.db2.gz IORLQBABPIOMNJ-UHFFFAOYSA-N -1 3 310.138 2.180 20 10 DECDHM Cc1ccc(C(=O)NCCCCNc2ccccn2)c([O-])c1O ZINC000179482119 402591585 /nfs/dbraw/zinc/59/15/85/402591585.db2.gz XOMPILKZUNDXPF-UHFFFAOYSA-N -1 3 315.373 2.423 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)c([O-])c1O ZINC000180870498 402628907 /nfs/dbraw/zinc/62/89/07/402628907.db2.gz MUPMKPHIYZUGBO-UHFFFAOYSA-N -1 3 324.340 2.454 20 10 DECDHM Cc1ccc(C(=O)N(C)[C@@H]2CCCc3c2cnn3C)c([O-])c1O ZINC000182883498 402724313 /nfs/dbraw/zinc/72/43/13/402724313.db2.gz UZBDFMQNABXVPZ-CYBMUJFWSA-N -1 3 315.373 2.289 20 10 DECDHM CCc1nc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000273539525 403013504 /nfs/dbraw/zinc/01/35/04/403013504.db2.gz YADLURKEKVBIHJ-DTWKUNHWSA-N -1 3 305.338 2.393 20 10 DECDHM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000274918691 403096726 /nfs/dbraw/zinc/09/67/26/403096726.db2.gz WUKYNNVLESDWAH-AWEZNQCLSA-N -1 3 312.369 2.102 20 10 DECDHM CCCOc1ccc(CN2CC[S@](=O)C[C@@H](C)C2)c([O-])c1 ZINC000277572759 403232427 /nfs/dbraw/zinc/23/24/27/403232427.db2.gz SSNMIXYMOOGBJN-ZSEKCTLFSA-N -1 3 311.447 2.381 20 10 DECDHM COCCCn1cc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000296334835 404200422 /nfs/dbraw/zinc/20/04/22/404200422.db2.gz ZTPKPRYHBNDWKE-UHFFFAOYSA-N -1 3 319.361 2.200 20 10 DECDHM COc1ncc(/C=C\C(=O)N2CCCc3cccc([O-])c32)cn1 ZINC000492642803 405509723 /nfs/dbraw/zinc/50/97/23/405509723.db2.gz BETSZSFGODVKAA-FPLPWBNLSA-N -1 3 311.341 2.183 20 10 DECDHM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1cccc(O)c1[O-] ZINC000368451482 227011274 /nfs/dbraw/zinc/01/12/74/227011274.db2.gz WQFQSUVWJIRENF-SNVBAGLBSA-N -1 3 307.252 2.240 20 10 DECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(F)F ZINC000375751248 337018681 /nfs/dbraw/zinc/01/86/81/337018681.db2.gz YUEVVJAQPNHCIT-LLVKDONJSA-N -1 3 318.751 2.391 20 10 DECDHM C[C@@H](Cc1ccccn1)NC(=O)NCc1c([O-])cccc1F ZINC001357588411 1152315435 /nfs/dbraw/zinc/31/54/35/1152315435.db2.gz QXKWHQXUFVSRQI-NSHDSACASA-N -1 3 303.337 2.357 20 10 DECDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1c([O-])cccc1Cl ZINC000126495500 521647279 /nfs/dbraw/zinc/64/72/79/521647279.db2.gz SVIILIVTDAPWOG-SNVBAGLBSA-N -1 3 305.827 2.301 20 10 DECDHM Cc1ccc(C(=O)N2CCOc3cc(O)ccc3C2)c([O-])c1O ZINC000376403644 534262458 /nfs/dbraw/zinc/26/24/58/534262458.db2.gz ORVKKRPERZKGOR-UHFFFAOYSA-N -1 3 315.325 2.147 20 10 DECDHM Cc1ccc(C(=O)NC[C@@](C)(O)c2cccs2)c([O-])c1O ZINC000179528535 534267091 /nfs/dbraw/zinc/26/70/91/534267091.db2.gz UQZAFACLQXHOSO-OAHLLOKOSA-N -1 3 307.371 2.105 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000368514623 518283830 /nfs/dbraw/zinc/28/38/30/518283830.db2.gz PMUJNUQUOFXHLC-HZPDHXFCSA-N -1 3 323.364 2.114 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1[O-] ZINC000267457448 518287295 /nfs/dbraw/zinc/28/72/95/518287295.db2.gz PQWRZQKYEYAACZ-VUVYZSTRSA-N -1 3 313.394 2.075 20 10 DECDHM Cc1ccc(C(=O)N(C)Cc2ncc(Cl)n2C)c([O-])c1O ZINC000183006033 526062300 /nfs/dbraw/zinc/06/23/00/526062300.db2.gz GXJBAMWRYGUANW-UHFFFAOYSA-N -1 3 309.753 2.065 20 10 DECDHM CCOCCOCCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000190291737 528800602 /nfs/dbraw/zinc/80/06/02/528800602.db2.gz PKAGVZYMPGNHAW-UHFFFAOYSA-N -1 3 313.369 2.219 20 10 DECDHM COc1ccc(O)c([C@@H](C)Nc2ncccc2-c2nnn[n-]2)c1 ZINC000737106401 598756045 /nfs/dbraw/zinc/75/60/45/598756045.db2.gz SBOUSCIOKGDOIY-SECBINFHSA-N -1 3 312.333 2.149 20 10 DECDHM COc1ccc(O)c([C@@H](C)Nc2ncccc2-c2nn[n-]n2)c1 ZINC000737106401 598756048 /nfs/dbraw/zinc/75/60/48/598756048.db2.gz SBOUSCIOKGDOIY-SECBINFHSA-N -1 3 312.333 2.149 20 10 DECDHM Cc1ncc2n1C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])CC2 ZINC000890759053 623197941 /nfs/dbraw/zinc/19/79/41/623197941.db2.gz AUMLJOZOPWISMU-LBPRGKRZSA-N -1 3 319.792 2.429 20 10 DECDHM C[C@@H](Nc1cc(=O)[n-]cn1)c1ccc(N2CCOCC2)cc1 ZINC000892025023 624748529 /nfs/dbraw/zinc/74/85/29/624748529.db2.gz JOTZEVZVKRVGMU-GFCCVEGCSA-N -1 3 300.362 2.192 20 10 DECDHM C[C@H]1CS(=O)(=O)CCN1Cc1c([O-])ccc2ccccc21 ZINC000172611260 625174177 /nfs/dbraw/zinc/17/41/77/625174177.db2.gz LHYXNHBCPPJMGB-LBPRGKRZSA-N -1 3 305.399 2.164 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000921993012 635793507 /nfs/dbraw/zinc/79/35/07/635793507.db2.gz UZVBPDBIGJTWRS-ABAIWWIYSA-N -1 3 308.353 2.288 20 10 DECDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cccc(O)c1[O-] ZINC000187195309 637251178 /nfs/dbraw/zinc/25/11/78/637251178.db2.gz FUGMVLITMMDKKP-ZUZCIYMTSA-N -1 3 319.332 2.479 20 10 DECDHM [O-]c1cccc(Br)c1CN1CCCn2nncc2C1 ZINC000895757706 638184931 /nfs/dbraw/zinc/18/49/31/638184931.db2.gz WMYROQHLNQEQHL-UHFFFAOYSA-N -1 3 323.194 2.152 20 10 DECDHM CSCc1nnc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])[n-]1 ZINC000895814375 638212014 /nfs/dbraw/zinc/21/20/14/638212014.db2.gz QYUFGPZXXUQIBR-UHFFFAOYSA-N -1 3 316.789 2.456 20 10 DECDHM Cn1nc(Br)cc1CNCc1c([O-])cccc1F ZINC000896638962 638621603 /nfs/dbraw/zinc/62/16/03/638621603.db2.gz ZVUGWNDXRHNRAE-UHFFFAOYSA-N -1 3 314.158 2.317 20 10 DECDHM CNC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000751533367 639092074 /nfs/dbraw/zinc/09/20/74/639092074.db2.gz ONLQROLGBUUYAY-UHFFFAOYSA-N -1 3 300.314 2.018 20 10 DECDHM COCCN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000787333872 641285690 /nfs/dbraw/zinc/28/56/90/641285690.db2.gz DLWDTHQVNXYOJK-SNVBAGLBSA-N -1 3 303.761 2.422 20 10 DECDHM CCc1nn(C)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775049711 641999443 /nfs/dbraw/zinc/99/94/43/641999443.db2.gz CFHFMBAIKZEVGP-UHFFFAOYSA-N -1 3 306.322 2.217 20 10 DECDHM COc1ccc(CN(C)C(=O)c2cccc(O)c2[O-])cc1O ZINC000776355574 642160969 /nfs/dbraw/zinc/16/09/69/642160969.db2.gz NZZPXKPKEOKQJZ-UHFFFAOYSA-N -1 3 303.314 2.084 20 10 DECDHM O=C(Nc1ccccc1N1CCOC1=O)c1cccc(O)c1[O-] ZINC000776644750 642194811 /nfs/dbraw/zinc/19/48/11/642194811.db2.gz PPXATZLAYWJCJX-UHFFFAOYSA-N -1 3 314.297 2.307 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2CCC(O)CC2)c1 ZINC000781895451 642796167 /nfs/dbraw/zinc/79/61/67/642796167.db2.gz SLQPKDMNBPJGOE-UHFFFAOYSA-N -1 3 300.196 2.420 20 10 DECDHM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)N1[C@H](C)CC[C@@H]1C ZINC000783781569 643052545 /nfs/dbraw/zinc/05/25/45/643052545.db2.gz YRFSNEZUZKYBRD-TUAOUCFPSA-N -1 3 321.373 2.085 20 10 DECDHM COCCN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000787333692 643483576 /nfs/dbraw/zinc/48/35/76/643483576.db2.gz AFSXMTTUIVDLRS-GFCCVEGCSA-N -1 3 303.761 2.422 20 10 DECDHM CC(C)(O)COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790745473 643888459 /nfs/dbraw/zinc/88/84/59/643888459.db2.gz FUMLZQPNHJGMOI-UHFFFAOYSA-N -1 3 317.341 2.500 20 10 DECDHM CC(C)(C)OC(=O)CCCCNC(=O)c1cccc(O)c1[O-] ZINC000790918742 643908669 /nfs/dbraw/zinc/90/86/69/643908669.db2.gz WFHKLXMZWRHQGR-UHFFFAOYSA-N -1 3 309.362 2.340 20 10 DECDHM COCCO[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792180666 644085544 /nfs/dbraw/zinc/08/55/44/644085544.db2.gz RHGDFPNPNFLUNC-SNVBAGLBSA-N -1 3 303.761 2.422 20 10 DECDHM CC[C@@H](NCc1nnnn1CC1CC1)c1ccc(F)cc1[O-] ZINC000796944966 644816575 /nfs/dbraw/zinc/81/65/75/644816575.db2.gz HVJBNFQPLATBAD-CYBMUJFWSA-N -1 3 305.357 2.169 20 10 DECDHM CC(=O)c1cc(F)cc(CN(C)C[C@H](O)C(F)(F)F)c1[O-] ZINC000181338442 648624410 /nfs/dbraw/zinc/62/44/10/648624410.db2.gz XCITXCQVUVFDSQ-NSHDSACASA-N -1 3 309.259 2.089 20 10 DECDHM COC(=O)C[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000824826145 648658193 /nfs/dbraw/zinc/65/81/93/648658193.db2.gz XKWAYHGTYAUHDC-GFCCVEGCSA-N -1 3 313.781 2.118 20 10 DECDHM C[C@H]1CCCN(S(=O)(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000830184870 649406250 /nfs/dbraw/zinc/40/62/50/649406250.db2.gz QYQYVILSTMPAQF-QMMMGPOBSA-N -1 3 306.334 2.059 20 10 DECDHM C[C@@H]1CCCN(S(=O)(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000830184868 649406450 /nfs/dbraw/zinc/40/64/50/649406450.db2.gz QYQYVILSTMPAQF-MRVPVSSYSA-N -1 3 306.334 2.059 20 10 DECDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])Oc1ccccc1F ZINC000185752076 649602332 /nfs/dbraw/zinc/60/23/32/649602332.db2.gz HVLUBSLHYLTDRH-SNVBAGLBSA-N -1 3 305.305 2.434 20 10 DECDHM Cn1nccc1[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000846115061 651308797 /nfs/dbraw/zinc/30/87/97/651308797.db2.gz IFCFVCMJHVEJKY-AWEZNQCLSA-N -1 3 307.781 2.353 20 10 DECDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])C1(CO)CCCC1 ZINC000848249898 651446996 /nfs/dbraw/zinc/44/69/96/651446996.db2.gz VBVVZBJEWASURQ-HNNXBMFYSA-N -1 3 307.390 2.405 20 10 DECDHM [O-]c1ccc(Cl)cc1C[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000848562779 651470888 /nfs/dbraw/zinc/47/08/88/651470888.db2.gz LVLAHSJUGZLUQI-LBPRGKRZSA-N -1 3 308.769 2.305 20 10 DECDHM CCN(C(=O)c1cccc(O)c1[O-])[C@H](C)C(=O)OC(C)(C)C ZINC000855191068 651643829 /nfs/dbraw/zinc/64/38/29/651643829.db2.gz UGIHGEOWEDDTGQ-SNVBAGLBSA-N -1 3 309.362 2.290 20 10 DECDHM Cc1nnc([C@H](C)NCc2cccc(Br)c2[O-])[nH]1 ZINC000392448001 685449289 /nfs/dbraw/zinc/44/92/89/685449289.db2.gz FGGLDYNYWNLXMH-ZETCQYMHSA-N -1 3 311.183 2.432 20 10 DECDHM CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCc1c([O-])cccc1F)OC2=O ZINC000928708383 693831030 /nfs/dbraw/zinc/83/10/30/693831030.db2.gz GQQMZGXYBOAJLM-DLBZAZTESA-N -1 3 321.348 2.269 20 10 DECDHM CCOc1cccc(CC(=O)NCc2c([O-])cccc2F)n1 ZINC000928709065 693831427 /nfs/dbraw/zinc/83/14/27/693831427.db2.gz XBMCGMJIIZNGHX-UHFFFAOYSA-N -1 3 304.321 2.184 20 10 DECDHM COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@@H](C)O1 ZINC000862487446 686309241 /nfs/dbraw/zinc/30/92/41/686309241.db2.gz PLTQGEWMAULGQL-YGRLFVJLSA-N -1 3 313.781 2.116 20 10 DECDHM Cn1ncc2c1CN(Cc1ccc(Br)cc1[O-])C2 ZINC000877632880 690173682 /nfs/dbraw/zinc/17/36/82/690173682.db2.gz QIEZDZKMYKJGFL-UHFFFAOYSA-N -1 3 308.179 2.404 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CCSC[C@H]1CO ZINC000877780696 690226227 /nfs/dbraw/zinc/22/62/27/690226227.db2.gz ZJRDDPSLMDKYNA-LLVKDONJSA-N -1 3 318.236 2.064 20 10 DECDHM CN1CCN(C(=O)c2c([O-])c(O)ccc2F)C[C@H]1C(C)(C)C ZINC000880611803 690943020 /nfs/dbraw/zinc/94/30/20/690943020.db2.gz CPETXPGHKNASCX-LBPRGKRZSA-N -1 3 310.369 2.039 20 10 DECDHM C[C@H](NCc1cc(F)cc(F)c1[O-])C(=O)NCc1ccco1 ZINC000882992643 691405236 /nfs/dbraw/zinc/40/52/36/691405236.db2.gz ARVXDORAGDLWGU-VIFPVBQESA-N -1 3 310.300 2.058 20 10 DECDHM CN1CC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000925421369 693270167 /nfs/dbraw/zinc/27/01/67/693270167.db2.gz DLRGSEBXSYKJFJ-JTQLQIEISA-N -1 3 318.204 2.202 20 10 DECDHM C[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@H]1O ZINC001144298331 790846884 /nfs/dbraw/zinc/84/68/84/790846884.db2.gz BRRDZLNXHJINSB-AMIZOPFISA-N -1 3 318.186 2.497 20 10 DECDHM CC(C)(C)OC(=O)C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC001148218813 791711748 /nfs/dbraw/zinc/71/17/48/791711748.db2.gz MBUZNBABCGXTED-NSHDSACASA-N -1 3 321.373 2.434 20 10 DECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@H]1c1nccs1 ZINC001148584000 791777571 /nfs/dbraw/zinc/77/75/71/791777571.db2.gz KHUVFUSOXHUYLF-SECBINFHSA-N -1 3 306.343 2.237 20 10 DECDHM Cc1cccnc1[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001148590153 791778114 /nfs/dbraw/zinc/77/81/14/791778114.db2.gz XTIFEPICFGHZQY-HNNXBMFYSA-N -1 3 314.341 2.388 20 10 DECDHM CN(c1ccc([O-])c(F)c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001174737684 794057956 /nfs/dbraw/zinc/05/79/56/794057956.db2.gz DVMASASOWKWBGT-UHFFFAOYSA-N -1 3 324.377 2.122 20 10 DECDHM CCc1nc2c(nccc2C(=O)NCc2c([O-])cccc2F)[nH]1 ZINC001178413290 794921586 /nfs/dbraw/zinc/92/15/86/794921586.db2.gz PXGBZPOWCMJGLE-UHFFFAOYSA-N -1 3 314.320 2.295 20 10 DECDHM CCCCN(Cc1ccccc1O)C(=O)c1cnncc1[O-] ZINC001120735365 795521918 /nfs/dbraw/zinc/52/19/18/795521918.db2.gz YFPKHRTVGHOLQP-UHFFFAOYSA-N -1 3 301.346 2.330 20 10 DECDHM O=C1N(c2ccccc2)CC12CN(Cc1cccc(F)c1[O-])C2 ZINC001138127472 796167941 /nfs/dbraw/zinc/16/79/41/796167941.db2.gz FBFXHJVKTFDRPS-UHFFFAOYSA-N -1 3 312.344 2.380 20 10 DECDHM CCOC[C@@H]1CN(Cc2cc(F)ccc2[O-])Cc2ncn(C)c21 ZINC001140063172 796472243 /nfs/dbraw/zinc/47/22/43/796472243.db2.gz MFEIBGMHQAWGCI-ZDUSSCGKSA-N -1 3 319.380 2.401 20 10 DECDHM Cc1cc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)ncn1 ZINC001140464139 796526146 /nfs/dbraw/zinc/52/61/46/796526146.db2.gz DCKWSZYKGYUSLM-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM Cc1cc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)ncn1 ZINC001203665638 800101892 /nfs/dbraw/zinc/10/18/92/800101892.db2.gz QSIUFPLAIDTVED-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM Cc1ccnn1C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231453851 801669207 /nfs/dbraw/zinc/66/92/07/801669207.db2.gz LGFBEAFUCDSRLB-UHFFFAOYSA-N -1 3 315.373 2.432 20 10 DECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c([O-])c1 ZINC001231455613 801669379 /nfs/dbraw/zinc/66/93/79/801669379.db2.gz RTDNFRJJPROMQI-CQSZACIVSA-N -1 3 313.300 2.091 20 10 DECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)c([O-])c1 ZINC001231455613 801669380 /nfs/dbraw/zinc/66/93/80/801669380.db2.gz RTDNFRJJPROMQI-CQSZACIVSA-N -1 3 313.300 2.091 20 10 DECDHM CCOC(=O)[C@@H]1COCCN1Cc1ccc2ccccc2c1[O-] ZINC001231881959 801743597 /nfs/dbraw/zinc/74/35/97/801743597.db2.gz CRYRPJJQYAGKGP-INIZCTEOSA-N -1 3 315.369 2.309 20 10 DECDHM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2ccc(O)c([O-])c2)n1 ZINC001215304571 801832318 /nfs/dbraw/zinc/83/23/18/801832318.db2.gz SGMBNRCPFJUMOD-UHFFFAOYSA-N -1 3 318.220 2.257 20 10 DECDHM COc1cc([O-])c(CN2C[C@H](CO)C[C@H](F)C2)cc1Cl ZINC001232266070 801833960 /nfs/dbraw/zinc/83/39/60/801833960.db2.gz IJDKZZZFIMMIAZ-KOLCDFICSA-N -1 3 303.761 2.207 20 10 DECDHM Cn1cc2cccc(-c3noc(-c4cc(O)c([O-])c(O)c4)n3)c2n1 ZINC001215327468 801836509 /nfs/dbraw/zinc/83/65/09/801836509.db2.gz CDFPOYBRZJVUAR-UHFFFAOYSA-N -1 3 324.296 2.407 20 10 DECDHM COc1cc([O-])c(CN(C)CC(C)=O)cc1Br ZINC001233135408 802033485 /nfs/dbraw/zinc/03/34/85/802033485.db2.gz SFGHYMQQRSERNC-UHFFFAOYSA-N -1 3 302.168 2.184 20 10 DECDHM COc1cc([O-])c(CN2CCO[C@H](C)C2)cc1Br ZINC001233135329 802034169 /nfs/dbraw/zinc/03/41/69/802034169.db2.gz PZSRWDXSPYKQSF-SECBINFHSA-N -1 3 316.195 2.384 20 10 DECDHM O=C(N[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1)C1CC1 ZINC001233336748 802078923 /nfs/dbraw/zinc/07/89/23/802078923.db2.gz YADJNPBOYOGMOC-LLVKDONJSA-N -1 3 310.344 2.161 20 10 DECDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](Oc2ncccn2)C1 ZINC001233336279 802078983 /nfs/dbraw/zinc/07/89/83/802078983.db2.gz GGPBILOKDLZZGA-SNVBAGLBSA-N -1 3 307.300 2.114 20 10 DECDHM Cc1cnc(O[C@@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)nc1 ZINC001233336160 802079399 /nfs/dbraw/zinc/07/93/99/802079399.db2.gz ARXXKWGZRMBMEX-LLVKDONJSA-N -1 3 321.327 2.422 20 10 DECDHM CC(=O)N[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419091 802113379 /nfs/dbraw/zinc/11/33/79/802113379.db2.gz JCJRDDROUDGNQC-LLVKDONJSA-N -1 3 302.296 2.121 20 10 DECDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CCOC3)cccc21 ZINC001226379644 803101089 /nfs/dbraw/zinc/10/10/89/803101089.db2.gz GZAQYVZJSLZVAK-SNVBAGLBSA-N -1 3 310.305 2.335 20 10 DECDHM C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248248 994471013 /nfs/dbraw/zinc/47/10/13/994471013.db2.gz UCAHJBJVHISHSW-WCQYABFASA-N -1 3 319.357 2.185 20 10 DECDHM C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593269106 994597482 /nfs/dbraw/zinc/59/74/82/994597482.db2.gz ZFCNPUXUNLEYOU-GXTWGEPZSA-N -1 3 323.389 2.327 20 10 DECDHM C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603656698 1070021656 /nfs/dbraw/zinc/02/16/56/1070021656.db2.gz IAORIHZVNXKSNG-OQPBUACISA-N -1 3 309.320 2.268 20 10 DECDHM CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(O)c2)c([O-])c1 ZINC001605691947 1070846568 /nfs/dbraw/zinc/84/65/68/1070846568.db2.gz SMPDHCFNJDLGMR-MRXNPFEDSA-N -1 3 317.341 2.412 20 10 DECDHM COc1ccc(O)c([C@@H](C)NCc2cccc(C(=O)[O-])n2)c1 ZINC001607277192 1071393347 /nfs/dbraw/zinc/39/33/47/1071393347.db2.gz YEBLPVVLKHFZHP-SNVBAGLBSA-N -1 3 302.330 2.345 20 10 DECDHM O=C(Cc1cccc([N+](=O)[O-])c1)NCc1c([O-])cccc1F ZINC001456030128 1057808122 /nfs/dbraw/zinc/80/81/22/1057808122.db2.gz QPPRNZGKQQFADU-UHFFFAOYSA-N -1 3 304.277 2.298 20 10 DECDHM O=C(c1cccc(O)c1[O-])N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC001628485585 1078298702 /nfs/dbraw/zinc/29/87/02/1078298702.db2.gz OXAXEHMTZDORJT-NWDGAFQWSA-N -1 3 323.414 2.225 20 10 DECDHM COc1cccc(CNC(=O)Cc2ccc([O-])c(F)c2)c1O ZINC001636061068 1078467183 /nfs/dbraw/zinc/46/71/83/1078467183.db2.gz DFTBKIOKDMEVRI-UHFFFAOYSA-N -1 3 305.305 2.104 20 10 DECDHM CC(=O)Nc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001638857968 1078583134 /nfs/dbraw/zinc/58/31/34/1078583134.db2.gz AQZDNMOSBPJUFB-UHFFFAOYSA-N -1 3 302.305 2.420 20 10 DECDHM Cn1cc(-c2ccc(C(=O)NCc3c([O-])cccc3F)o2)cn1 ZINC001645051144 1078874143 /nfs/dbraw/zinc/87/41/43/1078874143.db2.gz XXPNAENXGVDSNK-UHFFFAOYSA-N -1 3 315.304 2.455 20 10 DECDHM C[C@H]1C[C@@H](CO)N(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235293897 1079011287 /nfs/dbraw/zinc/01/12/87/1079011287.db2.gz CWWXLMUNCJFBNI-KWQFWETISA-N -1 3 318.186 2.497 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001588772064 1076463804 /nfs/dbraw/zinc/46/38/04/1076463804.db2.gz JEKBFJBIKQKGJB-BENRWUELSA-N -1 3 320.356 2.328 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001588772064 1076463806 /nfs/dbraw/zinc/46/38/06/1076463806.db2.gz JEKBFJBIKQKGJB-BENRWUELSA-N -1 3 320.356 2.328 20 10 DECDHM C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962091 1076537316 /nfs/dbraw/zinc/53/73/16/1076537316.db2.gz GJRIIEQYKPIKTN-QWRGUYRKSA-N -1 3 317.393 2.038 20 10 DECDHM CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590468138 1076634133 /nfs/dbraw/zinc/63/41/33/1076634133.db2.gz SRLHMXFFQGYTOY-SMDDNHRTSA-N -1 3 317.393 2.182 20 10 DECDHM CCOCC(C)(C)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590799696 1076678629 /nfs/dbraw/zinc/67/86/29/1076678629.db2.gz PNHZVIJHJANKHR-LLVKDONJSA-N -1 3 319.409 2.286 20 10 DECDHM CCOC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C(C)C ZINC001590800447 1076678965 /nfs/dbraw/zinc/67/89/65/1076678965.db2.gz POGYWMYQTIWTSU-RISCZKNCSA-N -1 3 319.409 2.284 20 10 DECDHM Cc1cccc(CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592229688 1076877460 /nfs/dbraw/zinc/87/74/60/1076877460.db2.gz PVDARFCFUKCEHG-LBPRGKRZSA-N -1 3 324.388 2.169 20 10 DECDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c2cnn(C)c2n1 ZINC001596910978 1077084405 /nfs/dbraw/zinc/08/44/05/1077084405.db2.gz BTJXTEAJOSQWTA-UHFFFAOYSA-N -1 3 314.320 2.051 20 10 DECDHM C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781028 1077922643 /nfs/dbraw/zinc/92/26/43/1077922643.db2.gz WBMKXNDRZCLGNQ-ZBEGNZNMSA-N -1 3 301.342 2.475 20 10 DECDHM Cc1cnc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC001610539926 1078037723 /nfs/dbraw/zinc/03/77/23/1078037723.db2.gz YXSLQVCPEYZVIB-LLVKDONJSA-N -1 3 301.346 2.082 20 10 DECDHM Cn1cc([C@@H](CO)NCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001657716228 1080183442 /nfs/dbraw/zinc/18/34/42/1080183442.db2.gz KZGYNOUBTJGOJQ-GFCCVEGCSA-N -1 3 316.188 2.256 20 10 DECDHM [O-]c1cc(F)c(F)cc1CNc1ccc(-n2cncn2)cn1 ZINC001659091560 1080230674 /nfs/dbraw/zinc/23/06/74/1080230674.db2.gz IKULYUYYXJOGFM-UHFFFAOYSA-N -1 3 303.272 2.258 20 10 DECDHM CC(C)NC(=O)CN(C)Cc1c([O-])cccc1Br ZINC000707151440 1086662211 /nfs/dbraw/zinc/66/22/11/1086662211.db2.gz DFOOQWREZAWKDT-UHFFFAOYSA-N -1 3 315.211 2.111 20 10 DECDHM CC(C)NC(=O)N1CCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001275272572 1091648265 /nfs/dbraw/zinc/64/82/65/1091648265.db2.gz VRUNNVJQQUEHPZ-UHFFFAOYSA-N -1 3 323.824 2.424 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001236663692 1138392101 /nfs/dbraw/zinc/39/21/01/1138392101.db2.gz OZSMWECYBQSECM-NEPJUHHUSA-N -1 3 318.186 2.368 20 10 DECDHM COc1cc([O-])c(CN2CC[C@@](C)(O)[C@@H](F)C2)c(Cl)c1 ZINC001236797147 1138431060 /nfs/dbraw/zinc/43/10/60/1138431060.db2.gz CJMZDWAZDSKPOW-UONOGXRCSA-N -1 3 303.761 2.349 20 10 DECDHM COc1ccc(CN2CCC[C@@H](n3ccnn3)C2)c([O-])c1Cl ZINC001236809290 1138435531 /nfs/dbraw/zinc/43/55/31/1138435531.db2.gz KTQNMUUOLCDQBU-GFCCVEGCSA-N -1 3 322.796 2.483 20 10 DECDHM COc1cc([O-])c(CN2CCO[C@H]3C[C@H]32)c(Br)c1 ZINC001237071794 1138499048 /nfs/dbraw/zinc/49/90/48/1138499048.db2.gz XCNPPFJBYINXQI-YPMHNXCESA-N -1 3 314.179 2.136 20 10 DECDHM COC(=O)C1CN(Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237675798 1138749153 /nfs/dbraw/zinc/74/91/53/1138749153.db2.gz BGQAWWWIXPSAAY-UHFFFAOYSA-N -1 3 314.179 2.068 20 10 DECDHM CCOC(=O)CN(C)Cc1cc(Br)c(C)cc1[O-] ZINC001237681935 1138754592 /nfs/dbraw/zinc/75/45/92/1138754592.db2.gz ULOBHZZJCBIOKF-UHFFFAOYSA-N -1 3 316.195 2.458 20 10 DECDHM O=C(NCc1ccncc1C(F)(F)F)c1cccc(O)c1[O-] ZINC001297166581 1139848749 /nfs/dbraw/zinc/84/87/49/1139848749.db2.gz CORULJJHQNRXHS-UHFFFAOYSA-N -1 3 312.247 2.442 20 10 DECDHM Cc1ccc(C(=O)Nc2cnn(Cc3cccnc3)c2)c([O-])c1O ZINC001319948927 1140806284 /nfs/dbraw/zinc/80/62/84/1140806284.db2.gz BGKXBZKQXSSIDL-UHFFFAOYSA-N -1 3 324.340 2.298 20 10 DECDHM CC(C)S(=O)(=O)[N-]c1ccccc1C(=O)c1ccncc1 ZINC001252544378 1142756790 /nfs/dbraw/zinc/75/67/90/1142756790.db2.gz DKQMNVITAYRRMT-UHFFFAOYSA-N -1 3 304.371 2.463 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001342739608 1143833596 /nfs/dbraw/zinc/83/35/96/1143833596.db2.gz MXABOPMUKFYHSL-STQMWFEESA-N -1 3 305.374 2.377 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC001262023898 1144286344 /nfs/dbraw/zinc/28/63/44/1144286344.db2.gz KISCZGGZTBJDIF-GDBMZVCRSA-N -1 3 313.353 2.436 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC001262023900 1144286436 /nfs/dbraw/zinc/28/64/36/1144286436.db2.gz KISCZGGZTBJDIF-HOCLYGCPSA-N -1 3 313.353 2.436 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c([O-])c1O ZINC000272723258 130056831 /nfs/dbraw/zinc/05/68/31/130056831.db2.gz FUBJEQQYCMNYDG-NSHDSACASA-N -1 3 301.346 2.149 20 10 DECDHM C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273361972 130111211 /nfs/dbraw/zinc/11/12/11/130111211.db2.gz APHPNMLZUSAUTA-ZJUUUORDSA-N -1 3 309.366 2.254 20 10 DECDHM CCCN(CC(=O)NC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184683160 402291644 /nfs/dbraw/zinc/29/16/44/402291644.db2.gz PQNWPIMNOBRDEO-UHFFFAOYSA-N -1 3 300.786 2.012 20 10 DECDHM O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cccc(O)c1[O-] ZINC000186911485 402471031 /nfs/dbraw/zinc/47/10/31/402471031.db2.gz WPTMBPXXOPSKMA-ZDUSSCGKSA-N -1 3 312.369 2.354 20 10 DECDHM Cc1ccc([C@@H]2COCCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000187102568 402483454 /nfs/dbraw/zinc/48/34/54/402483454.db2.gz JELSCPGTOPCHDO-LBPRGKRZSA-N -1 3 303.314 2.213 20 10 DECDHM Cc1cc([C@@](C)(O)CNC(=O)c2ccc(C)c(O)c2[O-])c(C)o1 ZINC000179528827 402593696 /nfs/dbraw/zinc/59/36/96/402593696.db2.gz POLCWRMSRXRQFM-KRWDZBQOSA-N -1 3 319.357 2.254 20 10 DECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC(F)(F)F ZINC000192406418 402727489 /nfs/dbraw/zinc/72/74/89/402727489.db2.gz SILOJBVHFVCDNC-UHFFFAOYSA-N -1 3 322.670 2.372 20 10 DECDHM CC[C@H]1CO[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278284105 402862550 /nfs/dbraw/zinc/86/25/50/402862550.db2.gz UAMUJYULMQEHTJ-JQWIXIFHSA-N -1 3 310.350 2.308 20 10 DECDHM COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCO1 ZINC000278628685 402869067 /nfs/dbraw/zinc/86/90/67/402869067.db2.gz CPNRHXBRFABDBS-VZJVUDMVSA-N -1 3 310.350 2.145 20 10 DECDHM COc1cc(Cl)cc(CN2CC[C@@H](C)[S@@](=O)CC2)c1[O-] ZINC000277348397 403207770 /nfs/dbraw/zinc/20/77/70/403207770.db2.gz DHRWIFMVHULCFU-SBKAZYGRSA-N -1 3 317.838 2.397 20 10 DECDHM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])N1CCC(C)CC1 ZINC000276627930 403192096 /nfs/dbraw/zinc/19/20/96/403192096.db2.gz VSIKPMOPZCUWED-LLVKDONJSA-N -1 3 310.369 2.087 20 10 DECDHM CN(C)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1cccs1 ZINC000276710259 403192802 /nfs/dbraw/zinc/19/28/02/403192802.db2.gz RBRFOOBNKXUSFY-SNVBAGLBSA-N -1 3 324.377 2.331 20 10 DECDHM COC(=O)[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000271080373 403261849 /nfs/dbraw/zinc/26/18/49/403261849.db2.gz INJXTAFKYDSRIA-SECBINFHSA-N -1 3 314.179 2.150 20 10 DECDHM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])n[nH]1 ZINC000295712164 404007492 /nfs/dbraw/zinc/00/74/92/404007492.db2.gz NGTPBEOXVYSGPJ-SFYZADRCSA-N -1 3 322.340 2.360 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](OC(=O)N(C)C)C2)c1[O-] ZINC000296682198 404313210 /nfs/dbraw/zinc/31/32/10/404313210.db2.gz LMNTVMWCFOMIQT-CYBMUJFWSA-N -1 3 324.352 2.006 20 10 DECDHM O=C([N-]C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)C(F)(F)F ZINC000291481157 404395770 /nfs/dbraw/zinc/39/57/70/404395770.db2.gz FTQMRVGHQFXIGM-NSHDSACASA-N -1 3 316.323 2.283 20 10 DECDHM O=C([N-]C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)C(F)(F)F ZINC000291481157 404395775 /nfs/dbraw/zinc/39/57/75/404395775.db2.gz FTQMRVGHQFXIGM-NSHDSACASA-N -1 3 316.323 2.283 20 10 DECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC([C@@H]3CCOC3)C2)c1[O-] ZINC000366250982 404779511 /nfs/dbraw/zinc/77/95/11/404779511.db2.gz UECHMYGNYRSGME-SECBINFHSA-N -1 3 312.753 2.422 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@@H](c3ccnn3C)C2)c([O-])c1O ZINC000374772856 227139323 /nfs/dbraw/zinc/13/93/23/227139323.db2.gz AHADLDULSORLMV-GFCCVEGCSA-N -1 3 315.373 2.160 20 10 DECDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1n1ccnc1 ZINC000193133484 299960268 /nfs/dbraw/zinc/96/02/68/299960268.db2.gz KTFGTUYHCNTHGR-WCQYABFASA-N -1 3 301.346 2.018 20 10 DECDHM COC[C@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])C[C@@H](C)O1 ZINC000188357537 522870956 /nfs/dbraw/zinc/87/09/56/522870956.db2.gz GVAVTZIBJUPPQY-ZWNOBZJWSA-N -1 3 315.797 2.290 20 10 DECDHM C1=CCN(c2ccc(CNc3ncccc3-c3nnn[n-]3)cc2)C1 ZINC000735400483 598972214 /nfs/dbraw/zinc/97/22/14/598972214.db2.gz QJQAQMCBVRAFBC-UHFFFAOYSA-N -1 3 319.372 2.250 20 10 DECDHM C1=CCN(c2ccc(CNc3ncccc3-c3nn[n-]n3)cc2)C1 ZINC000735400483 598972215 /nfs/dbraw/zinc/97/22/15/598972215.db2.gz QJQAQMCBVRAFBC-UHFFFAOYSA-N -1 3 319.372 2.250 20 10 DECDHM COc1cc(Br)cc(C[N@H+](C)CCC(=O)[O-])c1[O-] ZINC000820755152 598127164 /nfs/dbraw/zinc/12/71/64/598127164.db2.gz XOWOLTUROGBVOI-UHFFFAOYSA-N -1 3 318.167 2.070 20 10 DECDHM COc1cc(Br)cc(C[N@@H+](C)CCC(=O)[O-])c1[O-] ZINC000820755152 598127166 /nfs/dbraw/zinc/12/71/66/598127166.db2.gz XOWOLTUROGBVOI-UHFFFAOYSA-N -1 3 318.167 2.070 20 10 DECDHM CCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000821242427 606386902 /nfs/dbraw/zinc/38/69/02/606386902.db2.gz SVDCFCOVFHAPGS-VMPITWQZSA-N -1 3 323.428 2.149 20 10 DECDHM CC1(O)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000179723481 625833283 /nfs/dbraw/zinc/83/32/83/625833283.db2.gz RNSLKTNMPMHHKB-UHFFFAOYSA-N -1 3 300.742 2.301 20 10 DECDHM O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cccc(O)c1[O-] ZINC000836881081 650140647 /nfs/dbraw/zinc/14/06/47/650140647.db2.gz GUTZXALQYJCBJD-IUODEOHRSA-N -1 3 314.341 2.143 20 10 DECDHM Cc1ncsc1CCNC(=O)NCc1c([O-])cccc1F ZINC000922700980 636334820 /nfs/dbraw/zinc/33/48/20/636334820.db2.gz YOQXCRAFUBEUSV-UHFFFAOYSA-N -1 3 309.366 2.338 20 10 DECDHM COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Cl)ccc1[O-] ZINC000895862386 638228314 /nfs/dbraw/zinc/22/83/14/638228314.db2.gz ICAXBOSOHBBZMX-STQMWFEESA-N -1 3 313.781 2.246 20 10 DECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CN1CC(F)(F)F ZINC000754155259 639395561 /nfs/dbraw/zinc/39/55/61/639395561.db2.gz VOYHZDXCQFGGRY-UHFFFAOYSA-N -1 3 308.687 2.210 20 10 DECDHM CN(C)c1ccc(CN(C)C(=O)c2c([O-])cccc2O)cc1 ZINC000756767657 639692943 /nfs/dbraw/zinc/69/29/43/639692943.db2.gz VPRCYGLRQQGBGA-UHFFFAOYSA-N -1 3 300.358 2.436 20 10 DECDHM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc(O)c1[O-] ZINC000757648222 639862602 /nfs/dbraw/zinc/86/26/02/639862602.db2.gz SERMITANAYVSDQ-ZDUSSCGKSA-N -1 3 321.373 2.340 20 10 DECDHM O=S(=O)([N-]c1ccc(O)cc1F)c1c[nH]c2ncccc12 ZINC000758169668 639922486 /nfs/dbraw/zinc/92/24/86/639922486.db2.gz XHSLMSOOUOYJHB-UHFFFAOYSA-N -1 3 307.306 2.208 20 10 DECDHM CC[C@H](CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-])OC ZINC000842152849 650660890 /nfs/dbraw/zinc/66/08/90/650660890.db2.gz IXQHCNAYCQJMAC-CYBMUJFWSA-N -1 3 315.797 2.446 20 10 DECDHM COc1ccc(CN(C)C(=O)c2cccc(O)c2[O-])c(OC)c1 ZINC000776312455 642157849 /nfs/dbraw/zinc/15/78/49/642157849.db2.gz CNXFSLMQHGKPMG-UHFFFAOYSA-N -1 3 317.341 2.387 20 10 DECDHM COc1c(C)cnc(CNC(=O)c2cccc(O)c2[O-])c1C ZINC000776342558 642160178 /nfs/dbraw/zinc/16/01/78/642160178.db2.gz FDZGLDLSSSFTNV-UHFFFAOYSA-N -1 3 302.330 2.048 20 10 DECDHM Cc1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)c([O-])c1O ZINC000780915867 642688856 /nfs/dbraw/zinc/68/88/56/642688856.db2.gz ABHKBAYFKCGQMK-UHFFFAOYSA-N -1 3 324.340 2.298 20 10 DECDHM COC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])c(OC)c1 ZINC000781131331 642716495 /nfs/dbraw/zinc/71/64/95/642716495.db2.gz HBSOVHSFGNAKHF-UHFFFAOYSA-N -1 3 317.297 2.145 20 10 DECDHM C[C@H](NCc1cccc(Br)c1[O-])c1ncnn1C ZINC000788972040 643666301 /nfs/dbraw/zinc/66/63/01/643666301.db2.gz UCSMIABXKQNIHJ-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM C[C@@H](NCc1nnc2n1CCOC2)c1cc(Cl)ccc1[O-] ZINC000790739666 643887052 /nfs/dbraw/zinc/88/70/52/643887052.db2.gz RTGDABAVEYLGFG-SECBINFHSA-N -1 3 308.769 2.018 20 10 DECDHM COC[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000790840880 643902262 /nfs/dbraw/zinc/90/22/62/643902262.db2.gz ZHVNFJYCPVYMJW-CYBMUJFWSA-N -1 3 301.342 2.085 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000790918525 643908678 /nfs/dbraw/zinc/90/86/78/643908678.db2.gz APBHTGPXVCCLIP-YMTOWFKASA-N -1 3 305.305 2.089 20 10 DECDHM COC[C@](C)(CC(=O)OC)NCc1c([O-])ccc(Cl)c1F ZINC000792174014 644084316 /nfs/dbraw/zinc/08/43/16/644084316.db2.gz CFHKBZXLACVXJK-AWEZNQCLSA-N -1 3 319.760 2.243 20 10 DECDHM CSc1cc(O)ccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000792703480 644141104 /nfs/dbraw/zinc/14/11/04/644141104.db2.gz XVBCOAZIJUWBQK-SNVBAGLBSA-N -1 3 303.405 2.035 20 10 DECDHM COc1ccc(C(=O)NCc2ccc(OC)cc2O)c([O-])c1 ZINC000794387790 644407503 /nfs/dbraw/zinc/40/75/03/644407503.db2.gz MFERYFVXIAINGP-UHFFFAOYSA-N -1 3 303.314 2.045 20 10 DECDHM CC(=O)Nc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000188414410 646579381 /nfs/dbraw/zinc/57/93/81/646579381.db2.gz AWFMMLRCCVDKGE-UHFFFAOYSA-N -1 3 314.341 2.029 20 10 DECDHM CN(C)[C@H](CNC(=O)NCc1c([O-])cccc1F)c1ccco1 ZINC000913870793 647077241 /nfs/dbraw/zinc/07/72/41/647077241.db2.gz YXXDPROXAZJXJJ-CYBMUJFWSA-N -1 3 321.352 2.226 20 10 DECDHM C[C@@H]1CN(Cc2ccc3ccccc3c2[O-])CCS1(=O)=O ZINC000816513557 647145194 /nfs/dbraw/zinc/14/51/94/647145194.db2.gz UNKOXAHYDPZCSM-GFCCVEGCSA-N -1 3 305.399 2.164 20 10 DECDHM CNC(=O)Oc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000817023588 647213695 /nfs/dbraw/zinc/21/36/95/647213695.db2.gz GKYIYNWIMUOGJI-UHFFFAOYSA-N -1 3 316.313 2.377 20 10 DECDHM CCNC(=O)N1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824542158 648606987 /nfs/dbraw/zinc/60/69/87/648606987.db2.gz PBSWLPKYIWEOMN-UHFFFAOYSA-N -1 3 311.813 2.201 20 10 DECDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H](C)N1CCO ZINC000824926477 648673681 /nfs/dbraw/zinc/67/36/81/648673681.db2.gz OVKBPEBUGGOSQH-PHIMTYICSA-N -1 3 316.804 2.072 20 10 DECDHM C[C@@H]1OCC[C@@H]1N(CCO)Cc1c([O-])ccc(Cl)c1F ZINC000825129891 648708621 /nfs/dbraw/zinc/70/86/21/648708621.db2.gz HMJHYYPZAOVYRJ-CABZTGNLSA-N -1 3 303.761 2.156 20 10 DECDHM C[C@H]1c2nncn2CCN1Cc1ccc(Br)cc1[O-] ZINC000825685771 648799360 /nfs/dbraw/zinc/79/93/60/648799360.db2.gz LYTVRBKJLKMUPL-VIFPVBQESA-N -1 3 323.194 2.323 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CC[C@@](F)(CO)C1 ZINC000825811427 648814016 /nfs/dbraw/zinc/81/40/16/648814016.db2.gz HGDWAUSBIGLSIV-LBPRGKRZSA-N -1 3 304.159 2.061 20 10 DECDHM COC(=O)C[C@@H]1COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000825940139 648829531 /nfs/dbraw/zinc/82/95/31/648829531.db2.gz NLEGTXFINJSEBR-GFCCVEGCSA-N -1 3 313.781 2.118 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)C1O ZINC000827151730 648982564 /nfs/dbraw/zinc/98/25/64/648982564.db2.gz IPQGEQBGFBAZGE-RKDXNWHRSA-N -1 3 314.769 2.403 20 10 DECDHM Cc1ccc(C(=O)Nc2ccn(C3CCOCC3)n2)c([O-])c1O ZINC000855865965 651795178 /nfs/dbraw/zinc/79/51/78/651795178.db2.gz FGSLGBNWEDGZJR-UHFFFAOYSA-N -1 3 317.345 2.207 20 10 DECDHM CCON(CC)C(=O)CNCc1c([O-])ccc(Cl)c1F ZINC000858220236 652281856 /nfs/dbraw/zinc/28/18/56/652281856.db2.gz PROGHZGQPQZFQT-UHFFFAOYSA-N -1 3 304.749 2.074 20 10 DECDHM CN(CCn1cccn1)Cc1c([O-])cccc1Br ZINC000862244231 686263166 /nfs/dbraw/zinc/26/31/66/686263166.db2.gz YJLOIQIGEYENSH-UHFFFAOYSA-N -1 3 310.195 2.483 20 10 DECDHM CN(C)c1ccc(CNC(=O)c2c([O-])cccc2O)cc1F ZINC000125746877 684148535 /nfs/dbraw/zinc/14/85/35/684148535.db2.gz PUFRBXDPWAADIN-UHFFFAOYSA-N -1 3 304.321 2.233 20 10 DECDHM CS(=O)(=O)c1ccc(NCc2c([O-])cccc2Cl)cn1 ZINC000127257453 684161550 /nfs/dbraw/zinc/16/15/50/684161550.db2.gz YXSLFLAPFVYOPP-UHFFFAOYSA-N -1 3 312.778 2.456 20 10 DECDHM COCc1nc(C)c(C(=O)NCc2c([O-])cccc2F)s1 ZINC000928705872 693830539 /nfs/dbraw/zinc/83/05/39/693830539.db2.gz OPMNPSPLWLVYQB-UHFFFAOYSA-N -1 3 310.350 2.373 20 10 DECDHM COc1ccc(O)c(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000159986938 684324127 /nfs/dbraw/zinc/32/41/27/684324127.db2.gz HQXSXJDSDFSRDZ-UHFFFAOYSA-N -1 3 320.320 2.245 20 10 DECDHM CCNC(=O)c1ccc(C)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000188199821 684350993 /nfs/dbraw/zinc/35/09/93/684350993.db2.gz JAJRHWHPAHSLCU-UHFFFAOYSA-N -1 3 314.341 2.408 20 10 DECDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(O)c1[O-] ZINC000192981228 684462059 /nfs/dbraw/zinc/46/20/59/684462059.db2.gz RWIYXOAGPHBZTL-UHFFFAOYSA-N -1 3 302.286 2.278 20 10 DECDHM CCO[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)C1CC1 ZINC000863406571 686493185 /nfs/dbraw/zinc/49/31/85/686493185.db2.gz HLKNLMRPIBNACK-CYBMUJFWSA-N -1 3 303.355 2.088 20 10 DECDHM O=C(Nc1ccnn1CC(F)(F)F)c1cccc(O)c1[O-] ZINC001148212090 791711190 /nfs/dbraw/zinc/71/11/90/791711190.db2.gz LPVPIECDJLUOGW-UHFFFAOYSA-N -1 3 301.224 2.109 20 10 DECDHM O=C(NCc1cccc(-n2cccn2)c1)c1cccc(O)c1[O-] ZINC001148220055 791714647 /nfs/dbraw/zinc/71/46/47/791714647.db2.gz NODLTOIHOMTBSB-UHFFFAOYSA-N -1 3 309.325 2.214 20 10 DECDHM C[C@@H](c1ccccc1F)[C@H](O)C(=O)NCc1c([O-])cccc1F ZINC001178413061 794921817 /nfs/dbraw/zinc/92/18/17/794921817.db2.gz MHJVDMWRTIAHIY-QFYYESIMSA-N -1 3 321.323 2.451 20 10 DECDHM COC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])c1ccnn1C ZINC001118577775 795200460 /nfs/dbraw/zinc/20/04/60/795200460.db2.gz TZTGCRZHFZEBGH-CQSZACIVSA-N -1 3 323.780 2.091 20 10 DECDHM CNC(=O)OC[C@@H]1CCCCN1Cc1cc(F)c(F)cc1[O-] ZINC001182175407 795620907 /nfs/dbraw/zinc/62/09/07/795620907.db2.gz XQBXFINOROTSSM-NSHDSACASA-N -1 3 314.332 2.381 20 10 DECDHM [O-]c1cccc(F)c1CN1CCN(Cc2ccncc2)CC1 ZINC001137837906 796144205 /nfs/dbraw/zinc/14/42/05/796144205.db2.gz YMTUTZWSCINVPN-UHFFFAOYSA-N -1 3 301.365 2.244 20 10 DECDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2F)Cc2c1cnn2C ZINC001137832658 796144215 /nfs/dbraw/zinc/14/42/15/796144215.db2.gz CNNGDTLFAFSXQM-LBPRGKRZSA-N -1 3 319.380 2.401 20 10 DECDHM COc1ncnc2c1CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139682245 796409964 /nfs/dbraw/zinc/40/99/64/796409964.db2.gz UEPJAUSQBQTXRG-UHFFFAOYSA-N -1 3 321.327 2.070 20 10 DECDHM COCCOC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001193427446 797565726 /nfs/dbraw/zinc/56/57/26/797565726.db2.gz ATYGWFVRRZCCEG-UHFFFAOYSA-N -1 3 310.737 2.466 20 10 DECDHM [O-]c1cccnc1CNC(=S)Nc1ccc2c(c1)OCCO2 ZINC001199782363 798537890 /nfs/dbraw/zinc/53/78/90/798537890.db2.gz NBKTZERHTSROPN-UHFFFAOYSA-N -1 3 317.370 2.045 20 10 DECDHM COc1cc([O-])c(CN2CCN(C(C)C)C(=O)C2)cc1Cl ZINC001232268015 801833829 /nfs/dbraw/zinc/83/38/29/801833829.db2.gz LFVPICSSJUALKZ-UHFFFAOYSA-N -1 3 312.797 2.107 20 10 DECDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC001215325181 801835978 /nfs/dbraw/zinc/83/59/78/801835978.db2.gz FUJURMLROKYEIS-UHFFFAOYSA-N -1 3 314.253 2.249 20 10 DECDHM COc1cc([O-])c(CN2C[C@H]3C[C@@H](C2)O3)cc1Br ZINC001233140324 802034667 /nfs/dbraw/zinc/03/46/67/802034667.db2.gz DVCCXSOLBPWBGT-AOOOYVTPSA-N -1 3 314.179 2.136 20 10 DECDHM O=C1c2cccc([O-])c2C(=O)c2c(OC[C@H]3C[C@H](O)C3)cccc21 ZINC001218424795 802180208 /nfs/dbraw/zinc/18/02/08/802180208.db2.gz VHUKDCXHKJQWCF-XYPYZODXSA-N -1 3 324.332 2.317 20 10 DECDHM O=C1c2cccc(OC[C@H]3C[C@H](O)C3)c2C(=O)c2cccc([O-])c21 ZINC001218427671 802181501 /nfs/dbraw/zinc/18/15/01/802181501.db2.gz LGHPALKBFDZENB-XYPYZODXSA-N -1 3 324.332 2.317 20 10 DECDHM CO[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC000193111341 802439288 /nfs/dbraw/zinc/43/92/88/802439288.db2.gz NDELKBFRABKNNM-AWEZNQCLSA-N -1 3 305.305 2.354 20 10 DECDHM C[C@@H](N[C@@H](C)c1c([O-])cccc1F)C(=O)NCC(F)(F)F ZINC001331229121 1149400315 /nfs/dbraw/zinc/40/03/15/1149400315.db2.gz HCHOSTVZTUCRDM-JGVFFNPUSA-N -1 3 308.275 2.249 20 10 DECDHM O=C([O-])C1CC2(C1)CC[C@@H](C[NH2+][C@@H]1CCc3cccc([O-])c31)O2 ZINC001594906248 954677331 /nfs/dbraw/zinc/67/73/31/954677331.db2.gz WITZBZJAAYFNSB-RYTBJUFESA-N -1 3 317.385 2.382 20 10 DECDHM O=C([O-])C1CC2(C1)CC[C@H](C[NH2+][C@@H]1CCc3cccc([O-])c31)O2 ZINC001594906247 954677722 /nfs/dbraw/zinc/67/77/22/954677722.db2.gz WITZBZJAAYFNSB-OOWFEOPPSA-N -1 3 317.385 2.382 20 10 DECDHM C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603465037 1069974899 /nfs/dbraw/zinc/97/48/99/1069974899.db2.gz CWKYVHHFTORWGR-GRYCIOLGSA-N -1 3 317.393 2.038 20 10 DECDHM C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccncc1 ZINC001603551789 1069985784 /nfs/dbraw/zinc/98/57/84/1069985784.db2.gz GGXWVCHBZXVJJV-RYUDHWBXSA-N -1 3 324.388 2.422 20 10 DECDHM C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603851267 1070121861 /nfs/dbraw/zinc/12/18/61/1070121861.db2.gz WGHCEJLFKNVYGA-UTUOFQBUSA-N -1 3 317.393 2.038 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1Cc2ccccc2O1 ZINC001478646089 1061253265 /nfs/dbraw/zinc/25/32/65/1061253265.db2.gz KEOMJAHGLKWBIL-LBPRGKRZSA-N -1 3 316.332 2.334 20 10 DECDHM CN(C)C(=O)O[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001621345427 1078172628 /nfs/dbraw/zinc/17/26/28/1078172628.db2.gz STKWYFRYGGYRAQ-LLVKDONJSA-N -1 3 314.332 2.333 20 10 DECDHM COc1ccc2c(=O)[nH]n(C(=O)c3ccc(C)c(O)c3[O-])c2c1 ZINC001638059160 1078546332 /nfs/dbraw/zinc/54/63/32/1078546332.db2.gz DYWNDFGCBPGYBH-UHFFFAOYSA-N -1 3 314.297 2.159 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1OCCc2ccccc21 ZINC001638864058 1078584332 /nfs/dbraw/zinc/58/43/32/1078584332.db2.gz SJFIDSVXGOLVJA-MRXNPFEDSA-N -1 3 301.317 2.462 20 10 DECDHM O=C(NCc1ccc(O)c2ncccc12)c1cccc(O)c1[O-] ZINC001640682265 1078673428 /nfs/dbraw/zinc/67/34/28/1078673428.db2.gz NWTZCZQXMZQGNH-UHFFFAOYSA-N -1 3 310.309 2.282 20 10 DECDHM O=C(NCc1noc2cc(F)ccc12)c1cccc(O)c1[O-] ZINC001644245648 1078836274 /nfs/dbraw/zinc/83/62/74/1078836274.db2.gz YTNWWRWSSUGZNL-UHFFFAOYSA-N -1 3 302.261 2.308 20 10 DECDHM CN=[S@](C)(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001556608029 1075037842 /nfs/dbraw/zinc/03/78/42/1075037842.db2.gz XYSRVIMKKMXDSA-JOCHJYFZSA-N -1 3 320.370 2.437 20 10 DECDHM COC(=O)Cc1cccc(NCc2cc(F)c(F)cc2[O-])n1 ZINC001560755111 1075145574 /nfs/dbraw/zinc/14/55/74/1075145574.db2.gz ZZKBNOSUOXOJST-UHFFFAOYSA-N -1 3 308.284 2.393 20 10 DECDHM COc1c([O-])c(CNCc2cc(C3CC3)no2)ccc1[N+](=O)[O-] ZINC001561003827 1075149094 /nfs/dbraw/zinc/14/90/94/1075149094.db2.gz LCDSUCXUYXVYGN-UHFFFAOYSA-N -1 3 319.317 2.464 20 10 DECDHM COCc1csc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC001562423460 1075160181 /nfs/dbraw/zinc/16/01/81/1075160181.db2.gz JGDZWGAHIYETGM-UHFFFAOYSA-N -1 3 311.338 2.456 20 10 DECDHM C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589949971 1076532633 /nfs/dbraw/zinc/53/26/33/1076532633.db2.gz PDXMTHXRNWOBBM-SRVKXCTJSA-N -1 3 317.393 2.038 20 10 DECDHM C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953879 1076534998 /nfs/dbraw/zinc/53/49/98/1076534998.db2.gz WTLXHVOTMOKNKT-GHMZBOCLSA-N -1 3 319.409 2.020 20 10 DECDHM C[C@@H]([NH2+]CC1SCCS1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963246 1076538698 /nfs/dbraw/zinc/53/86/98/1076538698.db2.gz KRBIXCZTIUWURP-MRVPVSSYSA-N -1 3 323.447 2.029 20 10 DECDHM CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590468129 1076634071 /nfs/dbraw/zinc/63/40/71/1076634071.db2.gz SRLHMXFFQGYTOY-BXUZGUMPSA-N -1 3 317.393 2.182 20 10 DECDHM CSC1(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001591688176 1076770627 /nfs/dbraw/zinc/77/06/27/1076770627.db2.gz IRMUEVURVSMUSO-SECBINFHSA-N -1 3 305.407 2.119 20 10 DECDHM CCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)SC1=S ZINC001609226393 1077808767 /nfs/dbraw/zinc/80/87/67/1077808767.db2.gz HVSYTFREVLAGLW-YFHOEESVSA-N -1 3 317.399 2.088 20 10 DECDHM CCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)SC1=S ZINC001609226393 1077808774 /nfs/dbraw/zinc/80/87/74/1077808774.db2.gz HVSYTFREVLAGLW-YFHOEESVSA-N -1 3 317.399 2.088 20 10 DECDHM CN(Cc1cccc(C(N)=O)c1)Cc1cc(F)c(F)cc1[O-] ZINC001651920159 1079841698 /nfs/dbraw/zinc/84/16/98/1079841698.db2.gz YJZGWSASHSDXRL-UHFFFAOYSA-N -1 3 306.312 2.401 20 10 DECDHM CS(=O)(=O)C[C@H]1CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001652551537 1079882956 /nfs/dbraw/zinc/88/29/56/1079882956.db2.gz GBHQWABTXQGEQG-NSHDSACASA-N -1 3 317.838 2.302 20 10 DECDHM C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001659497559 1080243646 /nfs/dbraw/zinc/24/36/46/1080243646.db2.gz KFNVUEHNLMOZLL-SECBINFHSA-N -1 3 300.349 2.405 20 10 DECDHM CN(CCF)Cc1cccc(I)c1[O-] ZINC001237789910 1080490222 /nfs/dbraw/zinc/49/02/22/1080490222.db2.gz WJHWONSNZSYOBA-UHFFFAOYSA-N -1 3 309.122 2.398 20 10 DECDHM NC(=O)NC(=O)c1cccc(NCc2ccc(Cl)cc2[O-])c1 ZINC001664429111 1080908979 /nfs/dbraw/zinc/90/89/79/1080908979.db2.gz DEJIQXIQFSIOOF-UHFFFAOYSA-N -1 3 319.748 2.466 20 10 DECDHM CN(c1cccc([O-])c1F)S(=O)(=O)CCc1ccc(N)cc1 ZINC001212550610 1086535175 /nfs/dbraw/zinc/53/51/75/1086535175.db2.gz VTFWNFIYANXXDG-UHFFFAOYSA-N -1 3 324.377 2.122 20 10 DECDHM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1Cl ZINC001275217369 1091620267 /nfs/dbraw/zinc/62/02/67/1091620267.db2.gz KHIZORYZCLLRKE-TXEJJXNPSA-N -1 3 323.824 2.422 20 10 DECDHM COC(=O)[C@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236800639 1138430961 /nfs/dbraw/zinc/43/09/61/1138430961.db2.gz BQKKJUMZVIZPDH-NSHDSACASA-N -1 3 313.781 2.439 20 10 DECDHM COC(=O)[C@@]1(F)CCN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236798025 1138430996 /nfs/dbraw/zinc/43/09/96/1138430996.db2.gz KKUDGMTXIVRAPP-CQSZACIVSA-N -1 3 317.744 2.141 20 10 DECDHM COc1cc([O-])c(CN2CCC[C@@H](NC(C)=O)C2)c(Cl)c1 ZINC001236800009 1138431542 /nfs/dbraw/zinc/43/15/42/1138431542.db2.gz SHHDNGNUPLJRMN-LLVKDONJSA-N -1 3 312.797 2.155 20 10 DECDHM COC(=O)[C@@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236800637 1138431588 /nfs/dbraw/zinc/43/15/88/1138431588.db2.gz BQKKJUMZVIZPDH-LLVKDONJSA-N -1 3 313.781 2.439 20 10 DECDHM COc1cc([O-])c(CN2CCN(C(=O)C3CC3)CC2)c(Cl)c1 ZINC001236799971 1138431691 /nfs/dbraw/zinc/43/16/91/1138431691.db2.gz RTYBGSUPKQYRED-UHFFFAOYSA-N -1 3 324.808 2.108 20 10 DECDHM CN(Cc1cc(F)c(Cl)cc1[O-])C1CCS(=O)(=O)CC1 ZINC001237949282 1138812105 /nfs/dbraw/zinc/81/21/05/1138812105.db2.gz JJPFEXWXWXIECH-UHFFFAOYSA-N -1 3 321.801 2.194 20 10 DECDHM CCOC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC001323701694 1141878190 /nfs/dbraw/zinc/87/81/90/1141878190.db2.gz FCZDEFOIIBEMEY-CQSZACIVSA-N -1 3 309.337 2.165 20 10 DECDHM CC(=O)OC1CN(Cc2cc(C)c(Br)cc2[O-])C1 ZINC001250128804 1142086408 /nfs/dbraw/zinc/08/64/08/1142086408.db2.gz KRJYZDOZHZTFSQ-UHFFFAOYSA-N -1 3 314.179 2.210 20 10 DECDHM Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCC1 ZINC001262926440 1144342353 /nfs/dbraw/zinc/34/23/53/1144342353.db2.gz DVUCOTIVJGVSSV-UHFFFAOYSA-N -1 3 301.375 2.398 20 10 DECDHM C[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(F)c(F)c1[O-] ZINC000281212380 296119680 /nfs/dbraw/zinc/11/96/80/296119680.db2.gz SSBFDGYPRWQISD-SECBINFHSA-N -1 3 319.373 2.288 20 10 DECDHM Cc1ccc(C(=O)N2CCC(C3(C)OCCO3)CC2)c([O-])c1O ZINC000272719791 130056665 /nfs/dbraw/zinc/05/66/65/130056665.db2.gz GZHGGSMZWXQTGL-UHFFFAOYSA-N -1 3 321.373 2.021 20 10 DECDHM Cc1ccc(C(=O)N(CCCO)Cc2ccccc2)c([O-])c1O ZINC000272762293 130061630 /nfs/dbraw/zinc/06/16/30/130061630.db2.gz QKRWMFMOBAOSDR-UHFFFAOYSA-N -1 3 315.369 2.431 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cnn(C)c2C)c1 ZINC000273521445 130132629 /nfs/dbraw/zinc/13/26/29/130132629.db2.gz UJAQNGKGMVNKDO-JTQLQIEISA-N -1 3 303.362 2.072 20 10 DECDHM Cc1ccc(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c([O-])c1O ZINC000274503049 130241432 /nfs/dbraw/zinc/24/14/32/130241432.db2.gz FNMUXUOJXVHVAL-SNVBAGLBSA-N -1 3 324.377 2.049 20 10 DECDHM Cc1nc(C2(NC(=O)c3cccc(O)c3[O-])CCCCC2)no1 ZINC000274931801 130274579 /nfs/dbraw/zinc/27/45/79/130274579.db2.gz DFSYXVISVVGAAT-UHFFFAOYSA-N -1 3 317.345 2.379 20 10 DECDHM Cc1noc([C@@H]2CCCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000286371113 131233175 /nfs/dbraw/zinc/23/31/75/131233175.db2.gz JYGWDNMKLGIOJQ-NSHDSACASA-N -1 3 303.318 2.157 20 10 DECDHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([O-])c1O ZINC000292521373 292049578 /nfs/dbraw/zinc/04/95/78/292049578.db2.gz BRDARQMIBARLGT-SWLSCSKDSA-N -1 3 305.374 2.436 20 10 DECDHM CCN(Cc1cc(Br)ccc1[O-])[C@H]1CCOC1=O ZINC000076118590 401783650 /nfs/dbraw/zinc/78/36/50/401783650.db2.gz WYPOPDYFVWOLQJ-NSHDSACASA-N -1 3 314.179 2.292 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@]23CCOC3=O)c1[O-] ZINC000186739733 402461404 /nfs/dbraw/zinc/46/14/04/402461404.db2.gz SMNZPJGCGNQQHI-INIZCTEOSA-N -1 3 307.321 2.015 20 10 DECDHM Cc1ccc(C(=O)NCC[C@@](C)(O)c2ccccc2)c([O-])c1O ZINC000187490965 402502643 /nfs/dbraw/zinc/50/26/43/402502643.db2.gz AGXDVFUXVBHHGD-GOSISDBHSA-N -1 3 315.369 2.434 20 10 DECDHM O=C(c1ccccc1[O-])N1CCN(Cc2ccccc2O)CC1 ZINC000179560307 402594668 /nfs/dbraw/zinc/59/46/68/402594668.db2.gz ZEWSMLARMYHDBT-UHFFFAOYSA-N -1 3 312.369 2.056 20 10 DECDHM CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H](C)O1 ZINC000278163987 402861420 /nfs/dbraw/zinc/86/14/20/402861420.db2.gz DVZNREHSCGEPMS-JQWIXIFHSA-N -1 3 310.350 2.308 20 10 DECDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@H](C)O1 ZINC000278163981 402861543 /nfs/dbraw/zinc/86/15/43/402861543.db2.gz DVZNREHSCGEPMS-CMPLNLGQSA-N -1 3 310.350 2.308 20 10 DECDHM COc1c([O-])c(CN[C@H](CCO)c2ccco2)ccc1[N+](=O)[O-] ZINC000278292590 402862569 /nfs/dbraw/zinc/86/25/69/402862569.db2.gz BVDZDIMAHLSCMP-LLVKDONJSA-N -1 3 322.317 2.115 20 10 DECDHM CCc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])n(C)n1 ZINC000278472391 402866654 /nfs/dbraw/zinc/86/66/54/402866654.db2.gz HMBGZDFVFQULEJ-UHFFFAOYSA-N -1 3 306.322 2.217 20 10 DECDHM Cc1ccc(CN(CCO)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000273026789 402963369 /nfs/dbraw/zinc/96/33/69/402963369.db2.gz CVEUVCBTHMVVDE-UHFFFAOYSA-N -1 3 315.369 2.349 20 10 DECDHM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000277129886 403197309 /nfs/dbraw/zinc/19/73/09/403197309.db2.gz UHJDUNZMYIYWSU-IUCAKERBSA-N -1 3 304.350 2.220 20 10 DECDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1O ZINC000271234731 403282296 /nfs/dbraw/zinc/28/22/96/403282296.db2.gz AQMHWAYNYDWNQO-NOZJJQNGSA-N -1 3 300.196 2.357 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](n2cncn2)C1 ZINC000364518917 404431540 /nfs/dbraw/zinc/43/15/40/404431540.db2.gz KAOZIEBNSDYSRR-GFCCVEGCSA-N -1 3 323.194 2.193 20 10 DECDHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@@H]1c1ccccc1F ZINC000371803912 227079870 /nfs/dbraw/zinc/07/98/70/227079870.db2.gz SLBVYOWMBWTYLH-MRXNPFEDSA-N -1 3 318.323 2.344 20 10 DECDHM Cc1nc([C@H]2CCCCN2C(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000367983556 302638704 /nfs/dbraw/zinc/63/87/04/302638704.db2.gz PUQDQHJTHSHDDC-GFCCVEGCSA-N -1 3 317.345 2.465 20 10 DECDHM Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000364711098 302802641 /nfs/dbraw/zinc/80/26/41/302802641.db2.gz PIWRSNJYXVEZNA-CQSZACIVSA-N -1 3 315.373 2.425 20 10 DECDHM Cc1nc2n(n1)C[C@@H](NCc1c([O-])ccc(Cl)c1F)CC2 ZINC000190932136 534701129 /nfs/dbraw/zinc/70/11/29/534701129.db2.gz FJIQBWBESORYKQ-VIFPVBQESA-N -1 3 310.760 2.189 20 10 DECDHM Cc1csc([C@H]2COCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000189029149 526445985 /nfs/dbraw/zinc/44/59/85/526445985.db2.gz GDHJOVVAZSPLLG-LLVKDONJSA-N -1 3 320.370 2.076 20 10 DECDHM Cn1cc(-c2ccccc2CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000365755655 527134949 /nfs/dbraw/zinc/13/49/49/527134949.db2.gz YNQFXROYCNRHHT-UHFFFAOYSA-N -1 3 323.352 2.428 20 10 DECDHM CN(C(=O)C=Cc1cncc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736733862 598818650 /nfs/dbraw/zinc/81/86/50/598818650.db2.gz YFHYRUAHTKFMIX-WAYWQWQTSA-N -1 3 324.319 2.077 20 10 DECDHM CN(C(=O)C=Cc1cncc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736733862 598818651 /nfs/dbraw/zinc/81/86/51/598818651.db2.gz YFHYRUAHTKFMIX-WAYWQWQTSA-N -1 3 324.319 2.077 20 10 DECDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000822205753 606087840 /nfs/dbraw/zinc/08/78/40/606087840.db2.gz HJMRJTKDUFXDND-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000822205753 606087845 /nfs/dbraw/zinc/08/78/45/606087845.db2.gz HJMRJTKDUFXDND-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM Cc1nnc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)s1 ZINC000921958989 635761529 /nfs/dbraw/zinc/76/15/29/635761529.db2.gz RMXPYEGAOBCAIP-SSDOTTSWSA-N -1 3 310.354 2.252 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(C(C)(C)C)no1 ZINC000187151944 637126785 /nfs/dbraw/zinc/12/67/85/637126785.db2.gz AKJCGNNEMYSAPK-MRVPVSSYSA-N -1 3 305.334 2.269 20 10 DECDHM O=C1OCCN1C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895340671 637945489 /nfs/dbraw/zinc/94/54/89/637945489.db2.gz ZUUAPCHXTPHAHU-UHFFFAOYSA-N -1 3 312.316 2.087 20 10 DECDHM COC(=O)[C@]1(F)CCN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840923060 650383653 /nfs/dbraw/zinc/38/36/53/650383653.db2.gz RJJUCFQMCKONRT-AWEZNQCLSA-N -1 3 301.745 2.441 20 10 DECDHM COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)ccc1[O-] ZINC000895862384 638228102 /nfs/dbraw/zinc/22/81/02/638228102.db2.gz ICAXBOSOHBBZMX-OLZOCXBDSA-N -1 3 313.781 2.246 20 10 DECDHM Cn1cc(C(=O)NCc2c([O-])cccc2F)c(C(C)(C)C)n1 ZINC000928704514 639483941 /nfs/dbraw/zinc/48/39/41/639483941.db2.gz AOTJFNZXAOMHJB-UHFFFAOYSA-N -1 3 305.353 2.492 20 10 DECDHM CC(=O)Nc1ncccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000771469852 641514969 /nfs/dbraw/zinc/51/49/69/641514969.db2.gz ZFSVDTGILALBFX-UHFFFAOYSA-N -1 3 301.302 2.012 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CC[S@@](=O)CC2(C)C)c1[O-] ZINC000775930078 642114109 /nfs/dbraw/zinc/11/41/09/642114109.db2.gz FGHDXBJGEFYAMJ-OAQYLSRUSA-N -1 3 313.394 2.077 20 10 DECDHM C[C@@H](COc1cccc(F)c1)NC(=O)c1cccc(O)c1[O-] ZINC000776337941 642160019 /nfs/dbraw/zinc/16/00/19/642160019.db2.gz DNJIPWAXQDCVDM-JTQLQIEISA-N -1 3 305.305 2.434 20 10 DECDHM Cn1ccnc1[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790512120 643861020 /nfs/dbraw/zinc/86/10/20/643861020.db2.gz SBRRGSWMNNKBRR-HNNXBMFYSA-N -1 3 323.352 2.351 20 10 DECDHM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccc(O)c1[O-] ZINC000790908177 643907633 /nfs/dbraw/zinc/90/76/33/643907633.db2.gz MRWPDJDPWILADH-CDMKHQONSA-N -1 3 311.428 2.207 20 10 DECDHM CC(=O)N1CCc2c1cccc2NC(=O)c1cccc(O)c1[O-] ZINC000790939078 643910952 /nfs/dbraw/zinc/91/09/52/643910952.db2.gz ZTPGGGIYNADWHT-UHFFFAOYSA-N -1 3 312.325 2.259 20 10 DECDHM COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(O)c1[O-])CCO2 ZINC000790937934 643911071 /nfs/dbraw/zinc/91/10/71/643911071.db2.gz IUNSJCGXISZLNA-ZDUSSCGKSA-N -1 3 315.325 2.360 20 10 DECDHM CNC(=O)C1(NCc2c([O-])ccc(Cl)c2F)CCCC1 ZINC000792175244 644084410 /nfs/dbraw/zinc/08/44/10/644084410.db2.gz SCSCZHXWPFXJKF-UHFFFAOYSA-N -1 3 300.761 2.333 20 10 DECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1[O-] ZINC000792387907 644111666 /nfs/dbraw/zinc/11/16/66/644111666.db2.gz IVEBZKODUXPYKS-XMPXNBJQSA-N -1 3 313.394 2.075 20 10 DECDHM C[C@@H](O)CN1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000793589691 644276920 /nfs/dbraw/zinc/27/69/20/644276920.db2.gz LYDYFWAVHCCFLS-WDEREUQCSA-N -1 3 316.804 2.072 20 10 DECDHM Cc1ccc(C(=O)N2NC(=O)CC23CCCCCC3)c([O-])c1O ZINC000912270116 646000975 /nfs/dbraw/zinc/00/09/75/646000975.db2.gz APJONGZWKSUFJM-UHFFFAOYSA-N -1 3 318.373 2.376 20 10 DECDHM O=C(NCCCOCC(F)(F)F)NCc1c([O-])cccc1F ZINC000914080049 647148350 /nfs/dbraw/zinc/14/83/50/647148350.db2.gz NKJFBKWQVWKLEC-UHFFFAOYSA-N -1 3 324.274 2.300 20 10 DECDHM C[C@H]1CN(Cc2ccc3ccccc3c2[O-])CCS(=O)(=O)C1 ZINC000816592938 647157367 /nfs/dbraw/zinc/15/73/67/647157367.db2.gz YXRCHQNOSCTREQ-ZDUSSCGKSA-N -1 3 319.426 2.412 20 10 DECDHM COC[C@@]1(CO)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000825158733 648714457 /nfs/dbraw/zinc/71/44/57/648714457.db2.gz XTAUADIFZOISLA-AWEZNQCLSA-N -1 3 303.761 2.016 20 10 DECDHM Cc1cc([O-])c(CN2CC(n3cc([C@H](C)O)nn3)C2)cc1Cl ZINC000825461746 648765873 /nfs/dbraw/zinc/76/58/73/648765873.db2.gz NSBVJDPTVOPYJF-JTQLQIEISA-N -1 3 322.796 2.056 20 10 DECDHM O=C1CC[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)CC[C@H]2N1 ZINC000827132098 648978784 /nfs/dbraw/zinc/97/87/84/648978784.db2.gz KJJPTLYZZISSTG-JOYOIKCWSA-N -1 3 312.772 2.285 20 10 DECDHM O=C1CC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@@H]2N1 ZINC000827133386 648978898 /nfs/dbraw/zinc/97/88/98/648978898.db2.gz UIVNGYUBMPMNTC-ZANVPECISA-N -1 3 312.772 2.285 20 10 DECDHM COC(=O)N(C)CCN(C)Cc1c([O-])ccc(Cl)c1F ZINC000827340439 649018853 /nfs/dbraw/zinc/01/88/53/649018853.db2.gz JJZGWSUMRNWNIF-UHFFFAOYSA-N -1 3 304.749 2.315 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2n1C ZINC000185690527 649590883 /nfs/dbraw/zinc/59/08/83/649590883.db2.gz SVYIYPOERQPVEX-JTQLQIEISA-N -1 3 311.341 2.476 20 10 DECDHM Cc1nc(CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000093274059 684048476 /nfs/dbraw/zinc/04/84/76/684048476.db2.gz HLFPVEBCWMTHCX-UHFFFAOYSA-N -1 3 322.796 2.055 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccn(C2CCOCC2)n1 ZINC000928707671 693831140 /nfs/dbraw/zinc/83/11/40/693831140.db2.gz AHZPVBYMAPBSAR-UHFFFAOYSA-N -1 3 319.336 2.009 20 10 DECDHM CN(CCN(C)c1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000193046338 684464316 /nfs/dbraw/zinc/46/43/16/684464316.db2.gz WNAFJOIGXXDGBO-UHFFFAOYSA-N -1 3 300.358 2.306 20 10 DECDHM O=C(NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1)C1CC1 ZINC000876560645 689856788 /nfs/dbraw/zinc/85/67/88/689856788.db2.gz JMJMVZQXXZNSGK-UHFFFAOYSA-N -1 3 310.344 2.161 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1cc2n(n1)CCCC2 ZINC000931398902 694387491 /nfs/dbraw/zinc/38/74/91/694387491.db2.gz HYCDNOUHFQLVSG-UHFFFAOYSA-N -1 3 304.325 2.386 20 10 DECDHM COC(=O)C(C)(C)CN(CC(C)C)C(=O)c1cccc(O)c1[O-] ZINC000882216529 691238118 /nfs/dbraw/zinc/23/81/18/691238118.db2.gz BPTSTTYRQBDDPP-UHFFFAOYSA-N -1 3 323.389 2.395 20 10 DECDHM C[C@@H](NCc1nnc(C2CCOCC2)[nH]1)c1c([O-])cccc1F ZINC000886645193 692145891 /nfs/dbraw/zinc/14/58/91/692145891.db2.gz SPDYCXYBSLHDBW-SNVBAGLBSA-N -1 3 320.368 2.394 20 10 DECDHM CCCNC(=O)CN(CCC)Cc1cc(F)cc(F)c1[O-] ZINC000893969544 692971749 /nfs/dbraw/zinc/97/17/49/692971749.db2.gz VEHSQKMVDSDFMN-UHFFFAOYSA-N -1 3 300.349 2.409 20 10 DECDHM C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cc(F)cc(F)c1[O-] ZINC001350316138 1151343279 /nfs/dbraw/zinc/34/32/79/1151343279.db2.gz KFNNFNKKBHNHDE-SECBINFHSA-N -1 3 300.349 2.405 20 10 DECDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@]2(CCCOC2)O1 ZINC001350320539 1151344065 /nfs/dbraw/zinc/34/40/65/1151344065.db2.gz ZXVBVXNEGDCUMR-BZNIZROVSA-N -1 3 313.344 2.440 20 10 DECDHM CO[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])C[C@@H]1OC ZINC001233415947 782245079 /nfs/dbraw/zinc/24/50/79/782245079.db2.gz PLNPFFQRUVYPKH-TXEJJXNPSA-N -1 3 305.296 2.257 20 10 DECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ncccn1 ZINC001147418770 791539147 /nfs/dbraw/zinc/53/91/47/791539147.db2.gz CSKBRFXGQQKKQM-UHFFFAOYSA-N -1 3 314.732 2.314 20 10 DECDHM CCOC(=O)C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC001148218430 791711798 /nfs/dbraw/zinc/71/17/98/791711798.db2.gz CMLXVDXFFAKPTJ-RYUDHWBXSA-N -1 3 321.373 2.149 20 10 DECDHM O=C(NC[C@@H](O)c1cc2ccccc2o1)c1cccc(O)c1[O-] ZINC001148225559 791715847 /nfs/dbraw/zinc/71/58/47/791715847.db2.gz PLNCFEOIQVZWTH-CYBMUJFWSA-N -1 3 313.309 2.307 20 10 DECDHM O=C(Nc1nc2c(s1)C(=O)CCC2)c1cc(O)c([O-])c(O)c1 ZINC001148580595 791776373 /nfs/dbraw/zinc/77/63/73/791776373.db2.gz IRLZVJZIVRZQDN-UHFFFAOYSA-N -1 3 320.326 2.031 20 10 DECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@H]1Cc1ccccn1 ZINC001148584013 791777531 /nfs/dbraw/zinc/77/75/31/791777531.db2.gz KQHAUXXREYJZAU-ZDUSSCGKSA-N -1 3 314.341 2.046 20 10 DECDHM O=C(N[C@@H](c1ncccc1F)C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148591099 791779304 /nfs/dbraw/zinc/77/93/04/791779304.db2.gz UMMOXDYRYAMXPV-CYBMUJFWSA-N -1 3 318.304 2.219 20 10 DECDHM CN(CC(=O)NCc1ccco1)Cc1ccc(Cl)cc1[O-] ZINC001180024981 795226797 /nfs/dbraw/zinc/22/67/97/795226797.db2.gz SHFULAYCVBQNRG-UHFFFAOYSA-N -1 3 308.765 2.387 20 10 DECDHM O=C(C1CC1)N1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC001119449019 795303437 /nfs/dbraw/zinc/30/34/37/795303437.db2.gz OUWRNWNIYNFGIX-UHFFFAOYSA-N -1 3 310.344 2.115 20 10 DECDHM O=C(N1CCCC1)C12CC(C1)CN2Cc1cccc(F)c1[O-] ZINC001138127169 796167527 /nfs/dbraw/zinc/16/75/27/796167527.db2.gz QWPPZHAQIPZUKJ-UHFFFAOYSA-N -1 3 304.365 2.118 20 10 DECDHM [O-]c1cccc(Br)c1CN1C[C@H](CO)C[C@H](F)C1 ZINC001140098860 796477349 /nfs/dbraw/zinc/47/73/49/796477349.db2.gz PLUUDCYGIRJIJG-ZJUUUORDSA-N -1 3 318.186 2.307 20 10 DECDHM C[C@H]1CN(C2CN(Cc3c([O-])cccc3Cl)C2)C[C@H](C)O1 ZINC001140342602 796511169 /nfs/dbraw/zinc/51/11/69/796511169.db2.gz QOAUWLNZXBUUGD-RYUDHWBXSA-N -1 3 310.825 2.339 20 10 DECDHM CN(C[C@@](C)(O)c1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001142693889 796762892 /nfs/dbraw/zinc/76/28/92/796762892.db2.gz GKFMCONSKQKTAO-QGZVFWFLSA-N -1 3 301.342 2.078 20 10 DECDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2nccnc2c1 ZINC001198148255 798289420 /nfs/dbraw/zinc/28/94/20/798289420.db2.gz LCXOENHLZZPRRF-UHFFFAOYSA-N -1 3 315.354 2.445 20 10 DECDHM CN(C)c1ccc(NC(=S)NCc2ncccc2[O-])cc1 ZINC001198780547 798394772 /nfs/dbraw/zinc/39/47/72/798394772.db2.gz PFBWEUDEYOIBPW-UHFFFAOYSA-N -1 3 302.403 2.340 20 10 DECDHM COc1cc([O-])c(CN2CCC(F)(F)[C@H](N)C2)cc1Cl ZINC001206676723 798886162 /nfs/dbraw/zinc/88/61/62/798886162.db2.gz TXBMXJWVKFHVDD-GFCCVEGCSA-N -1 3 306.740 2.223 20 10 DECDHM CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H]1C ZINC001231455455 801669440 /nfs/dbraw/zinc/66/94/40/801669440.db2.gz OLODHHRHCKXHEI-RISCZKNCSA-N -1 3 321.373 2.254 20 10 DECDHM CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H]1C ZINC001231455455 801669445 /nfs/dbraw/zinc/66/94/45/801669445.db2.gz OLODHHRHCKXHEI-RISCZKNCSA-N -1 3 321.373 2.254 20 10 DECDHM CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231455059 801669457 /nfs/dbraw/zinc/66/94/57/801669457.db2.gz VYFJNHZYEACMNL-KRWDZBQOSA-N -1 3 321.373 2.256 20 10 DECDHM CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231455059 801669461 /nfs/dbraw/zinc/66/94/61/801669461.db2.gz VYFJNHZYEACMNL-KRWDZBQOSA-N -1 3 321.373 2.256 20 10 DECDHM COc1cc([O-])c(CN2CCN(CCF)CC2)cc1Cl ZINC001232270148 801835448 /nfs/dbraw/zinc/83/54/48/801835448.db2.gz VKUMZQBWSRXPQE-UHFFFAOYSA-N -1 3 302.777 2.141 20 10 DECDHM Cc1cc(Br)cc(C[NH2+][C@@H](C)CC(=O)[O-])c1[O-] ZINC001605101901 972755638 /nfs/dbraw/zinc/75/56/38/972755638.db2.gz HFXNQGJJEZNLLH-QMMMGPOBSA-N -1 3 302.168 2.416 20 10 DECDHM C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220799 994316302 /nfs/dbraw/zinc/31/63/02/994316302.db2.gz VOORGTJXPVBINL-GXSJLCMTSA-N -1 3 314.332 2.080 20 10 DECDHM COc1cc(C)c(C[NH2+]CCc2ncc(C(=O)[O-])s2)c([O-])c1 ZINC001599391298 997040897 /nfs/dbraw/zinc/04/08/97/997040897.db2.gz QDCFAHNVVFXKQZ-UHFFFAOYSA-N -1 3 322.386 2.196 20 10 DECDHM CO[C@@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001599321542 997589574 /nfs/dbraw/zinc/58/95/74/997589574.db2.gz SNWOHAPTIXBIPK-LLVKDONJSA-N -1 3 306.337 2.236 20 10 DECDHM O=C(Cc1ccccc1[N+](=O)[O-])NCc1c([O-])cccc1F ZINC001456086985 1057814301 /nfs/dbraw/zinc/81/43/01/1057814301.db2.gz IMEZTHFYWBJYFW-UHFFFAOYSA-N -1 3 304.277 2.298 20 10 DECDHM CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)c1cccc(O)c1[O-] ZINC001471889935 1060334688 /nfs/dbraw/zinc/33/46/88/1060334688.db2.gz IRZAQGMLGRRMII-JQWIXIFHSA-N -1 3 309.362 2.196 20 10 DECDHM Cn1ccnc1[C@H](NCc1cccc(F)c1[O-])C(C)(C)CO ZINC001474538845 1060890721 /nfs/dbraw/zinc/89/07/21/1060890721.db2.gz XKBDYSVWOZFNGO-AWEZNQCLSA-N -1 3 307.369 2.114 20 10 DECDHM Cc1nc2ccc(NC(=O)NCc3c([O-])cccc3F)cn2n1 ZINC001476510473 1061094662 /nfs/dbraw/zinc/09/46/62/1061094662.db2.gz PPRPBUWWPSGLNL-UHFFFAOYSA-N -1 3 315.308 2.204 20 10 DECDHM CCc1nc([C@@H]2CCCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC001628346631 1078296364 /nfs/dbraw/zinc/29/63/64/1078296364.db2.gz HMQBAEOZXZNUME-NSHDSACASA-N -1 3 317.345 2.411 20 10 DECDHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2O)c1 ZINC001630363045 1078339365 /nfs/dbraw/zinc/33/93/65/1078339365.db2.gz GWRHKBZMJTTWPI-UHFFFAOYSA-N -1 3 312.325 2.152 20 10 DECDHM O=C(NCc1ccc2c(c1)OC(F)(F)O2)c1cccc(O)c1[O-] ZINC001570632138 1068047770 /nfs/dbraw/zinc/04/77/70/1068047770.db2.gz HBGLWCSJTLDKLI-UHFFFAOYSA-N -1 3 323.251 2.349 20 10 DECDHM O=C(NCc1ccccc1-c1ncc[nH]1)c1cccc(O)c1[O-] ZINC001642443368 1078755479 /nfs/dbraw/zinc/75/54/79/1078755479.db2.gz CLZPHPKMDUSWCI-UHFFFAOYSA-N -1 3 309.325 2.418 20 10 DECDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)C1=CC(=O)CS1 ZINC001540638790 1072420394 /nfs/dbraw/zinc/42/03/94/1072420394.db2.gz NLCXRTNJPJVGBX-UHFFFAOYSA-N -1 3 312.372 2.078 20 10 DECDHM O=C(NCc1noc2ccc(F)cc12)c1cccc(O)c1[O-] ZINC001557990767 1075079447 /nfs/dbraw/zinc/07/94/47/1075079447.db2.gz UHIORFZCCVJVTA-UHFFFAOYSA-N -1 3 302.261 2.308 20 10 DECDHM O=C1NCCc2ccc(CNCc3cc(F)cc(F)c3[O-])cc21 ZINC001560434798 1075139633 /nfs/dbraw/zinc/13/96/33/1075139633.db2.gz LNYOJKSBAQWTLG-UHFFFAOYSA-N -1 3 318.323 2.246 20 10 DECDHM Cc1ccc(CC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])o1 ZINC001592152221 1076860553 /nfs/dbraw/zinc/86/05/53/1076860553.db2.gz RRXBXMGOPIYTBD-LLVKDONJSA-N -1 3 313.361 2.367 20 10 DECDHM Cc1ccc(O)c(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592185837 1076871860 /nfs/dbraw/zinc/87/18/60/1076871860.db2.gz DGIUTNSTOAFMID-UHFFFAOYSA-N -1 3 324.344 2.202 20 10 DECDHM Cc1ccc(O)c(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592185837 1076871863 /nfs/dbraw/zinc/87/18/63/1076871863.db2.gz DGIUTNSTOAFMID-UHFFFAOYSA-N -1 3 324.344 2.202 20 10 DECDHM O=C(CSc1nccs1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001592906241 1076965542 /nfs/dbraw/zinc/96/55/42/1076965542.db2.gz FETPSZNKEBPSDS-UHFFFAOYSA-N -1 3 318.387 2.054 20 10 DECDHM O=C(CSc1nccs1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001592906241 1076965544 /nfs/dbraw/zinc/96/55/44/1076965544.db2.gz FETPSZNKEBPSDS-UHFFFAOYSA-N -1 3 318.387 2.054 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ncc2c(F)cccn21 ZINC001596917211 1077084926 /nfs/dbraw/zinc/08/49/26/1077084926.db2.gz ZRETZBTXEANLFP-UHFFFAOYSA-N -1 3 303.268 2.248 20 10 DECDHM O=C([O-])c1occc1CNCc1ccc(N2CCOCC2)cc1 ZINC001609006135 1077738823 /nfs/dbraw/zinc/73/88/23/1077738823.db2.gz SHFBYCOXNCCYPD-UHFFFAOYSA-N -1 3 316.357 2.104 20 10 DECDHM C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780172 1077922214 /nfs/dbraw/zinc/92/22/14/1077922214.db2.gz SIDXERGGUKSSDP-SKDRFNHKSA-N -1 3 301.346 2.022 20 10 DECDHM C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781105 1077922585 /nfs/dbraw/zinc/92/25/85/1077922585.db2.gz WILFYLNYTCXAAD-JTQLQIEISA-N -1 3 309.362 2.473 20 10 DECDHM Cc1nccnc1CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610565583 1078042382 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Cc1ccn2ncnc2c1NC(=O)NCc1c([O-])cccc1F ZINC001662164935 1080575352 /nfs/dbraw/zinc/57/53/52/1080575352.db2.gz XAOWONCOKZGAKP-UHFFFAOYSA-N -1 3 315.308 2.204 20 10 DECDHM C[C@@]1(CO)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235058241 1084293710 /nfs/dbraw/zinc/29/37/10/1084293710.db2.gz ZVLRFYRQZBCJMM-CYBMUJFWSA-N -1 3 318.186 2.498 20 10 DECDHM CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001276360955 1089583758 /nfs/dbraw/zinc/58/37/58/1089583758.db2.gz YTSKERONOOSCAA-BETUJISGSA-N -1 3 321.396 2.298 20 10 DECDHM CN1CC[C@@]2(CCCN2Cc2cc(F)c(Cl)cc2[O-])C1=O ZINC001274063030 1093787122 /nfs/dbraw/zinc/78/71/22/1093787122.db2.gz FXLVSJQICYIHFU-HNNXBMFYSA-N -1 3 312.772 2.381 20 10 DECDHM NC(=O)NC1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236793682 1138429356 /nfs/dbraw/zinc/42/93/56/1138429356.db2.gz NISBRNSXKLHIRC-UHFFFAOYSA-N -1 3 318.204 2.332 20 10 DECDHM COc1cc([O-])c(CN2CCC[C@H](NC(C)=O)C2)c(Cl)c1 ZINC001236800012 1138431777 /nfs/dbraw/zinc/43/17/77/1138431777.db2.gz 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ZINC000271310945 402856654 /nfs/dbraw/zinc/85/66/54/402856654.db2.gz HWKNEQRHBDFZPI-UHFFFAOYSA-N -1 3 303.337 2.198 20 10 DECDHM CC[C@H]1CO[C@H](C)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278284110 402862362 /nfs/dbraw/zinc/86/23/62/402862362.db2.gz UAMUJYULMQEHTJ-PWSUYJOCSA-N -1 3 310.350 2.308 20 10 DECDHM CS(=O)(=O)[C@H]1CCCCN(Cc2c([O-])cccc2Cl)C1 ZINC000278637678 402868924 /nfs/dbraw/zinc/86/89/24/402868924.db2.gz IRVBZRQBZKEJDA-NSHDSACASA-N -1 3 317.838 2.445 20 10 DECDHM Cc1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000280585942 403016153 /nfs/dbraw/zinc/01/61/53/403016153.db2.gz XASRDKNICDMWKG-UHFFFAOYSA-N -1 3 312.369 2.369 20 10 DECDHM COC(=O)[C@H](NCc1cc(Br)ccc1[O-])C1CC1 ZINC000276467553 403177977 /nfs/dbraw/zinc/17/79/77/403177977.db2.gz MGTDLWMLLDPKSZ-GFCCVEGCSA-N -1 3 314.179 2.196 20 10 DECDHM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])N1CCC(C)CC1 ZINC000276627932 403192280 /nfs/dbraw/zinc/19/22/80/403192280.db2.gz VSIKPMOPZCUWED-NSHDSACASA-N -1 3 310.369 2.087 20 10 DECDHM CC[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000286178822 403465932 /nfs/dbraw/zinc/46/59/32/403465932.db2.gz QSAVIGBEYJTQKN-SNVBAGLBSA-N -1 3 308.275 2.251 20 10 DECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](O)CC2)c1[O-] ZINC000293828709 403574763 /nfs/dbraw/zinc/57/47/63/403574763.db2.gz AMIAOBMREXHUGM-NSHDSACASA-N -1 3 300.742 2.301 20 10 DECDHM Cn1ccnc1[C@@H]1N(Cc2cc3c(cc2[O-])OCO3)CC1(C)C ZINC000294736313 403725989 /nfs/dbraw/zinc/72/59/89/403725989.db2.gz GSIYBLKHKULAOY-HNNXBMFYSA-N -1 3 315.373 2.438 20 10 DECDHM Cc1ccc(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c([O-])c1O ZINC000295077803 403752760 /nfs/dbraw/zinc/75/27/60/403752760.db2.gz ZFZFKLNAPLFTPA-RDJZCZTQSA-N -1 3 303.358 2.190 20 10 DECDHM C[C@H]1CCN(C(=O)c2ccoc2CC(N)=O)c2c([O-])cccc21 ZINC000354769526 403999636 /nfs/dbraw/zinc/99/96/36/403999636.db2.gz MCKPWFLDUJLCSA-JTQLQIEISA-N -1 3 314.341 2.167 20 10 DECDHM Cc1ccc(C(=O)NCCCc2ncccc2C)c([O-])c1O ZINC000297059777 404433705 /nfs/dbraw/zinc/43/37/05/404433705.db2.gz 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CCS(=O)(=O)CCN(C)Cc1c([O-])cc(C)cc1Cl ZINC000840917930 650382233 /nfs/dbraw/zinc/38/22/33/650382233.db2.gz WAQMQGIXTOXTQU-UHFFFAOYSA-N -1 3 305.827 2.221 20 10 DECDHM O=C(NCc1c([O-])cccc1F)C(F)(F)C1CCOCC1 ZINC000928708213 639487798 /nfs/dbraw/zinc/48/77/98/639487798.db2.gz JCLAIQURTRCTOO-UHFFFAOYSA-N -1 3 303.280 2.209 20 10 DECDHM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(O)cc3F)cc12 ZINC000758168544 639922428 /nfs/dbraw/zinc/92/24/28/639922428.db2.gz BYEVDABBVHBFLP-UHFFFAOYSA-N -1 3 323.305 2.177 20 10 DECDHM CN(CC(=O)NCc1ccco1)Cc1cc(Cl)ccc1[O-] ZINC000768194305 641058643 /nfs/dbraw/zinc/05/86/43/641058643.db2.gz URQIKTWLZBBEFW-UHFFFAOYSA-N -1 3 308.765 2.387 20 10 DECDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1C ZINC000776745992 642203255 /nfs/dbraw/zinc/20/32/55/642203255.db2.gz SGMLXRYPNHGEQG-UHFFFAOYSA-N -1 3 321.354 2.288 20 10 DECDHM C[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000842885344 650845019 /nfs/dbraw/zinc/84/50/19/650845019.db2.gz NNEVXNYEUOMFFD-GXFFZTMASA-N 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/nfs/dbraw/zinc/34/07/22/649340722.db2.gz QJHUTLCUDNIYHT-UHFFFAOYSA-N -1 3 302.374 2.331 20 10 DECDHM Cn1cc([C@@H]2N(C(=O)c3cccc(O)c3[O-])CC2(C)C)cn1 ZINC000846155707 651311712 /nfs/dbraw/zinc/31/17/12/651311712.db2.gz CGYKBXXVFDDLFJ-AWEZNQCLSA-N -1 3 301.346 2.055 20 10 DECDHM CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000846621644 651341742 /nfs/dbraw/zinc/34/17/42/651341742.db2.gz QXGSETLNCUODLW-NSHDSACASA-N -1 3 309.362 2.290 20 10 DECDHM CC(C)[C@@H](CNC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000848311210 651451587 /nfs/dbraw/zinc/45/15/87/651451587.db2.gz YZZLAKYYQCUSGY-GFCCVEGCSA-N -1 3 323.389 2.442 20 10 DECDHM O=C(NCc1cccnc1N1CCCC1)c1cccc(O)c1[O-] ZINC000855344267 651678590 /nfs/dbraw/zinc/67/85/90/651678590.db2.gz TYKUZLXBIMTHKQ-UHFFFAOYSA-N -1 3 313.357 2.023 20 10 DECDHM O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1cccc(O)c1[O-] ZINC000855772246 651772816 /nfs/dbraw/zinc/77/28/16/651772816.db2.gz IIFGKTARUMMXAV-KBPBESRZSA-N -1 3 313.353 2.400 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2nccn2C)c1 ZINC000850571888 651955115 /nfs/dbraw/zinc/95/51/15/651955115.db2.gz DKHJMZIKGMTFSB-QWRGUYRKSA-N -1 3 303.362 2.324 20 10 DECDHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(Cl)ccc1[O-] ZINC000093420644 684049521 /nfs/dbraw/zinc/04/95/21/684049521.db2.gz DAUDKMAXVJRICI-ZJUUUORDSA-N -1 3 305.827 2.299 20 10 DECDHM CN(C/C=C/C(=O)NCc1c([O-])cccc1F)CC(F)(F)F ZINC000928705360 693830260 /nfs/dbraw/zinc/83/02/60/693830260.db2.gz HNFNNSQWXHTMIH-ZZXKWVIFSA-N -1 3 320.286 2.198 20 10 DECDHM Cn1ncc(NC(=O)NCc2c([O-])cccc2F)c1C1CC1 ZINC000930888429 694263069 /nfs/dbraw/zinc/26/30/69/694263069.db2.gz NQQCTZODKDFHLC-UHFFFAOYSA-N -1 3 304.325 2.464 20 10 DECDHM Cn1cc(NC(=O)NCc2c([O-])cccc2F)c(C2CC2)n1 ZINC000931506708 694415028 /nfs/dbraw/zinc/41/50/28/694415028.db2.gz AQVIODOEIIQLJW-UHFFFAOYSA-N -1 3 304.325 2.464 20 10 DECDHM Cc1ccc(C(=O)Nc2ccnn2C2CCOCC2)c([O-])c1O ZINC000889900200 692806711 /nfs/dbraw/zinc/80/67/11/692806711.db2.gz IFIGSVJDPLELLH-UHFFFAOYSA-N -1 3 317.345 2.207 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1cnn(CC2CC2)c1 ZINC001333015528 1149960019 /nfs/dbraw/zinc/96/00/19/1149960019.db2.gz XDHFMZDCEKPBLL-UHFFFAOYSA-N -1 3 304.325 2.460 20 10 DECDHM N=C(NC(=O)c1cccc(O)c1[O-])c1ccc2ccccc2n1 ZINC001148224136 791714726 /nfs/dbraw/zinc/71/47/26/791714726.db2.gz DIYOKPROFZGUCC-UHFFFAOYSA-N -1 3 307.309 2.401 20 10 DECDHM O=C(Nc1cnc(Cl)nc1Cl)c1cc(O)c([O-])c(O)c1 ZINC001148582126 791777827 /nfs/dbraw/zinc/77/78/27/791777827.db2.gz XWGZEXNEQBWTTC-UHFFFAOYSA-N -1 3 316.100 2.153 20 10 DECDHM O=C(Nc1cccc(C(F)(F)F)n1)c1cc(O)c([O-])c(O)c1 ZINC001148581164 791777868 /nfs/dbraw/zinc/77/78/68/791777868.db2.gz NCUYXXGEDUVICM-UHFFFAOYSA-N -1 3 314.219 2.470 20 10 DECDHM CN1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715701054 792506934 /nfs/dbraw/zinc/50/69/34/792506934.db2.gz BPPJPNJHDQITFH-UHFFFAOYSA-N -1 3 303.175 2.041 20 10 DECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1ccccc1 ZINC001177249868 794619692 /nfs/dbraw/zinc/61/96/92/794619692.db2.gz FXCVRSMPSQGKID-HIFRSBDPSA-N -1 3 301.342 2.340 20 10 DECDHM [O-]c1cccc(F)c1CN1CCN(Cc2ccccn2)CC1 ZINC001137834551 796144409 /nfs/dbraw/zinc/14/44/09/796144409.db2.gz KOZHAWVDFQLTIX-UHFFFAOYSA-N -1 3 301.365 2.244 20 10 DECDHM CCOC[C@@H]1CN(Cc2cccc(F)c2[O-])Cc2c1cnn2C ZINC001138123920 796166151 /nfs/dbraw/zinc/16/61/51/796166151.db2.gz ROURIWJOQKMGCB-ZDUSSCGKSA-N -1 3 319.380 2.401 20 10 DECDHM Cc1cc(C)c(CNC(=O)c2ccccc2-c2nnn[n-]2)c(O)c1 ZINC001187007897 796470036 /nfs/dbraw/zinc/47/00/36/796470036.db2.gz IVVWLSQXNHYKKT-UHFFFAOYSA-N -1 3 323.356 2.119 20 10 DECDHM Cc1cc(C)c(CNC(=O)c2ccccc2-c2nn[n-]n2)c(O)c1 ZINC001187007897 796470039 /nfs/dbraw/zinc/47/00/39/796470039.db2.gz IVVWLSQXNHYKKT-UHFFFAOYSA-N -1 3 323.356 2.119 20 10 DECDHM CN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001142512898 796746477 /nfs/dbraw/zinc/74/64/77/796746477.db2.gz PABOXZLLCDGCNJ-MRXNPFEDSA-N -1 3 310.344 2.257 20 10 DECDHM CNc1ccc(C(=O)NCc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC001156164279 797936437 /nfs/dbraw/zinc/93/64/37/797936437.db2.gz UXGPQEVADVDRLN-UHFFFAOYSA-N -1 3 319.292 2.411 20 10 DECDHM COc1nc(C)ccc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215327467 801835871 /nfs/dbraw/zinc/83/58/71/801835871.db2.gz CDERFKNQBHESJB-UHFFFAOYSA-N -1 3 315.285 2.232 20 10 DECDHM CC1CN(Cc2ccc(I)cc2[O-])C1 ZINC001232974432 801993940 /nfs/dbraw/zinc/99/39/40/801993940.db2.gz NVIYDFBOEYFSQW-UHFFFAOYSA-N -1 3 303.143 2.449 20 10 DECDHM [O-]c1c(CN2CC[C@@H](Oc3ncccn3)C2)ccc(F)c1F ZINC001233079643 802023715 /nfs/dbraw/zinc/02/37/15/802023715.db2.gz IOPIURJILKUHTO-LLVKDONJSA-N -1 3 307.300 2.114 20 10 DECDHM C[C@@H]1C(=O)N(C)CCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454764 802120849 /nfs/dbraw/zinc/12/08/49/802120849.db2.gz JNEUIWKPYGERTJ-SECBINFHSA-N -1 3 302.296 2.074 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC1COCOC1 ZINC001227937312 803297530 /nfs/dbraw/zinc/29/75/30/803297530.db2.gz IIEWQTODNBJNHL-UHFFFAOYSA-N -1 3 316.309 2.081 20 10 DECDHM C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593269109 994598153 /nfs/dbraw/zinc/59/81/53/994598153.db2.gz ZFCNPUXUNLEYOU-JSGCOSHPSA-N -1 3 323.389 2.327 20 10 DECDHM CO[C@]1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCSC1 ZINC001599090574 997184318 /nfs/dbraw/zinc/18/43/18/997184318.db2.gz ADPMBGFXDZDDSP-BMIGLBTASA-N -1 3 311.403 2.263 20 10 DECDHM C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594385229 999462220 /nfs/dbraw/zinc/46/22/20/999462220.db2.gz YPAONVRHQGILSB-QWHCGFSZSA-N -1 3 306.406 2.473 20 10 DECDHM C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603650559 1070020108 /nfs/dbraw/zinc/02/01/08/1070020108.db2.gz LBJSYMJSIRJRMX-BDAKNGLRSA-N -1 3 316.390 2.441 20 10 DECDHM C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603697348 1070049716 /nfs/dbraw/zinc/04/97/16/1070049716.db2.gz YJACPSJDHCWSJZ-GHMZBOCLSA-N -1 3 319.409 2.020 20 10 DECDHM CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001605422935 1070708560 /nfs/dbraw/zinc/70/85/60/1070708560.db2.gz GPDFGXHGQGUVQM-LBPRGKRZSA-N -1 3 322.405 2.390 20 10 DECDHM COc1ccc(N2CC[C@@H](NCc3cc(C(=O)[O-])co3)C2)cc1 ZINC001607269021 1071389228 /nfs/dbraw/zinc/38/92/28/1071389228.db2.gz BNNQEOXUAUQILK-CYBMUJFWSA-N -1 3 316.357 2.355 20 10 DECDHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1noc(C)n1 ZINC001478122544 1061214527 /nfs/dbraw/zinc/21/45/27/1061214527.db2.gz VGRCJUYESAKVCI-LLVKDONJSA-N -1 3 308.313 2.173 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cn(-c2ccccc2)nn1 ZINC001635360438 1078448417 /nfs/dbraw/zinc/44/84/17/1078448417.db2.gz MDOGTULAHYIONK-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM CC(=O)NCc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001638858185 1078583391 /nfs/dbraw/zinc/58/33/91/1078583391.db2.gz LEPUSSOJGRUAEC-UHFFFAOYSA-N -1 3 316.332 2.097 20 10 DECDHM CC(=O)c1cccc(OCC(=O)NCc2c([O-])cccc2F)c1 ZINC001638863252 1078584646 /nfs/dbraw/zinc/58/46/46/1078584646.db2.gz LGWHDOGUBINLOF-UHFFFAOYSA-N -1 3 317.316 2.429 20 10 DECDHM Cc1cccc2c1O[C@@H](C(=O)NCc1c([O-])cccc1F)C2 ZINC001646035530 1079085189 /nfs/dbraw/zinc/08/51/89/1079085189.db2.gz XWXJZUAMKVLMPB-OAHLLOKOSA-N -1 3 301.317 2.460 20 10 DECDHM CCOC(=O)N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001560686138 1075144517 /nfs/dbraw/zinc/14/45/17/1075144517.db2.gz RQMZBDPUQISSIE-UHFFFAOYSA-N -1 3 314.332 2.335 20 10 DECDHM CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cccc(O)c1[O-] ZINC001583317942 1076254894 /nfs/dbraw/zinc/25/48/94/1076254894.db2.gz ZGCLOCXANOKZNY-ZDUSSCGKSA-N -1 3 303.362 2.139 20 10 DECDHM C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952112 1076532961 /nfs/dbraw/zinc/53/29/61/1076532961.db2.gz LIEIOYPEWAWEMY-BDAKNGLRSA-N -1 3 316.390 2.441 20 10 DECDHM CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465128 1076633288 /nfs/dbraw/zinc/63/32/88/1076633288.db2.gz SPEMQAWVEZLJSQ-CZUORRHYSA-N -1 3 317.393 2.182 20 10 DECDHM Cc1cccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592230710 1076878574 /nfs/dbraw/zinc/87/85/74/1076878574.db2.gz FUIFDWQSVZAFPU-NSHDSACASA-N -1 3 310.361 2.127 20 10 DECDHM [O-]c1c(F)cccc1C[NH2+]CCc1ccc(-c2nn[n-]n2)cc1 ZINC001593539034 1077019755 /nfs/dbraw/zinc/01/97/55/1077019755.db2.gz OTFVWFSEPGWBKH-UHFFFAOYSA-N -1 3 313.336 2.044 20 10 DECDHM O=C(CNc1ccccc1[N+](=O)[O-])NCc1c([O-])cccc1F ZINC001596912092 1077084938 /nfs/dbraw/zinc/08/49/38/1077084938.db2.gz LMYPUPMRWJGIDN-UHFFFAOYSA-N -1 3 319.292 2.168 20 10 DECDHM CCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)SC1=S ZINC001609226391 1077808205 /nfs/dbraw/zinc/80/82/05/1077808205.db2.gz HVSYTFREVLAGLW-JXMROGBWSA-N -1 3 317.399 2.088 20 10 DECDHM CCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)SC1=S ZINC001609226391 1077808210 /nfs/dbraw/zinc/80/82/10/1077808210.db2.gz HVSYTFREVLAGLW-JXMROGBWSA-N -1 3 317.399 2.088 20 10 DECDHM COc1cc([O-])c(CN2C[C@@H](F)C[C@H](CO)C2)c(Cl)c1 ZINC001236797274 1079951155 /nfs/dbraw/zinc/95/11/55/1079951155.db2.gz DMRJIVLDWFZWNV-UWVGGRQHSA-N -1 3 303.761 2.207 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](Nc2ncccn2)C1 ZINC001658427134 1080206204 /nfs/dbraw/zinc/20/62/04/1080206204.db2.gz AZEPLIDCKPAHPL-LLVKDONJSA-N -1 3 306.316 2.147 20 10 DECDHM CNC(=O)CN(Cc1ccccc1)Cc1cccc(F)c1[O-] ZINC001660540175 1080353337 /nfs/dbraw/zinc/35/33/37/1080353337.db2.gz QTZWUQMTJRWLJK-UHFFFAOYSA-N -1 3 302.349 2.280 20 10 DECDHM CN(Cc1cccc(C(N)=O)c1)Cc1cc(F)cc(F)c1[O-] ZINC001663864862 1080828131 /nfs/dbraw/zinc/82/81/31/1080828131.db2.gz JHJACMHEWAKNGQ-UHFFFAOYSA-N -1 3 306.312 2.401 20 10 DECDHM NC(=O)[C@@]12C[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001277446423 1083974601 /nfs/dbraw/zinc/97/46/01/1083974601.db2.gz SCTHTGBAMJYIEZ-AMIZOPFISA-N -1 3 301.173 2.006 20 10 DECDHM O=C([C@@H]1CC12CN(Cc1cc(Cl)ccc1[O-])C2)N1CC=CC1 ZINC001277456755 1083981418 /nfs/dbraw/zinc/98/14/18/1083981418.db2.gz CJLAYAJKZZHVJF-AWEZNQCLSA-N -1 3 318.804 2.266 20 10 DECDHM C[C@H]1C[C@@H](CO)N(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235058217 1084294335 /nfs/dbraw/zinc/29/43/35/1084294335.db2.gz ZFIHLIUQVIVCOE-KWQFWETISA-N -1 3 318.186 2.497 20 10 DECDHM O=C1N(c2ccccc2)CC12CN(Cc1c([O-])cccc1F)C2 ZINC001137837707 1086618081 /nfs/dbraw/zinc/61/80/81/1086618081.db2.gz RIHBDETXFFXOMW-UHFFFAOYSA-N -1 3 312.344 2.380 20 10 DECDHM C[C@H](C[S@@](C)=O)N(C)Cc1c([O-])cccc1Br ZINC000707141643 1086659314 /nfs/dbraw/zinc/65/93/14/1086659314.db2.gz FPQBLUGOOPBXRQ-VVVCHXIZSA-N -1 3 320.252 2.354 20 10 DECDHM Cc1cc([O-])c(CN2C[C@H](F)C[C@H]2CO)cc1Br ZINC001237678171 1138753449 /nfs/dbraw/zinc/75/34/49/1138753449.db2.gz VPZRUPQYJIWRKF-MNOVXSKESA-N -1 3 318.186 2.368 20 10 DECDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cnn1C1CCOCC1 ZINC001298458552 1140050237 /nfs/dbraw/zinc/05/02/37/1140050237.db2.gz HWJBRVMAKSITGN-UHFFFAOYSA-N -1 3 317.345 2.207 20 10 DECDHM CCOC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC001323701693 1141878069 /nfs/dbraw/zinc/87/80/69/1141878069.db2.gz FCZDEFOIIBEMEY-AWEZNQCLSA-N -1 3 309.337 2.165 20 10 DECDHM CC(=O)Nc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001303878130 1147337407 /nfs/dbraw/zinc/33/74/07/1147337407.db2.gz LNYUDBLWXQAHIL-UHFFFAOYSA-N -1 3 302.305 2.420 20 10 DECDHM O=C(Nc1nnc(-c2ccncc2)s1)c1cccc(O)c1[O-] ZINC001324920616 1147858097 /nfs/dbraw/zinc/85/80/97/1147858097.db2.gz UZLYDWRJSCUSGV-UHFFFAOYSA-N -1 3 314.326 2.264 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCn3ccnc32)c1 ZINC000834829924 649852617 /nfs/dbraw/zinc/85/26/17/649852617.db2.gz ABNFCFJAWIGHCV-MFKMUULPSA-N -1 3 301.346 2.171 20 10 DECDHM COC(=O)[C@]1(F)CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273703524 130155343 /nfs/dbraw/zinc/15/53/43/130155343.db2.gz DRLGYZBYYYONQH-AWEZNQCLSA-N -1 3 317.744 2.141 20 10 DECDHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c([O-])c1O ZINC000286014252 131215672 /nfs/dbraw/zinc/21/56/72/131215672.db2.gz NTNLPSZQPATBTO-CYBMUJFWSA-N -1 3 301.346 2.497 20 10 DECDHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])OCCc2sccc21 ZINC000291215712 131552208 /nfs/dbraw/zinc/55/22/08/131552208.db2.gz VVXPXGGZJJOZHG-INIZCTEOSA-N -1 3 319.382 2.377 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)C[S@](C)=O)c1[O-] ZINC000126220197 402270386 /nfs/dbraw/zinc/27/03/86/402270386.db2.gz MBRGQBUNEYFKDP-GWNMQOMSSA-N -1 3 317.838 2.447 20 10 DECDHM CCCNC(=O)CN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000184881976 402306187 /nfs/dbraw/zinc/30/61/87/402306187.db2.gz DOMMJKOINCSTRS-VIFPVBQESA-N -1 3 315.211 2.332 20 10 DECDHM CCN(C)C(=O)CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000186818632 402466243 /nfs/dbraw/zinc/46/62/43/402466243.db2.gz YXYZUJAOMNXBQT-VIFPVBQESA-N -1 3 315.211 2.284 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)c([O-])c1O ZINC000273054422 402966305 /nfs/dbraw/zinc/96/63/05/402966305.db2.gz XHPRDUPPDGEKQX-WCQYABFASA-N -1 3 303.358 2.380 20 10 DECDHM COCCn1cc(CN[C@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000282446406 403155128 /nfs/dbraw/zinc/15/51/28/403155128.db2.gz FCSUNDUQSUDJEM-SNVBAGLBSA-N -1 3 311.332 2.364 20 10 DECDHM C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000276494596 403180731 /nfs/dbraw/zinc/18/07/31/403180731.db2.gz BGAMBHGAWWKIMM-WDEREUQCSA-N -1 3 310.369 2.087 20 10 DECDHM CCCOc1ccc(CN2CCN(C(C)=O)C[C@H]2C)c([O-])c1 ZINC000271204874 403278769 /nfs/dbraw/zinc/27/87/69/403278769.db2.gz VVHFEGYOBPJQEA-CYBMUJFWSA-N -1 3 306.406 2.234 20 10 DECDHM CO[C@@H](CNC(=O)c1ccc(C)c(O)c1[O-])Cc1ccccc1 ZINC000296103943 404095353 /nfs/dbraw/zinc/09/53/53/404095353.db2.gz PLUONUDZUKNART-CQSZACIVSA-N -1 3 315.369 2.394 20 10 DECDHM Cc1nc2n(n1)C[C@H](NCc1c([O-])ccc(Cl)c1F)CC2 ZINC000190932122 225099493 /nfs/dbraw/zinc/09/94/93/225099493.db2.gz FJIQBWBESORYKQ-SECBINFHSA-N -1 3 310.760 2.189 20 10 DECDHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([O-])c1O ZINC000378569279 227218381 /nfs/dbraw/zinc/21/83/81/227218381.db2.gz YZXOKBWAFXLKGT-DFBGVHRSSA-N -1 3 305.374 2.340 20 10 DECDHM COCCCn1cc(C(=O)NCc2cc(Cl)ccc2[O-])cn1 ZINC000529514768 340758615 /nfs/dbraw/zinc/75/86/15/340758615.db2.gz VVKGJYXAKAXPHI-UHFFFAOYSA-N -1 3 323.780 2.209 20 10 DECDHM Cc1nonc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000265139531 526703828 /nfs/dbraw/zinc/70/38/28/526703828.db2.gz PTHXMDMUEVTPNP-AWEZNQCLSA-N -1 3 303.362 2.265 20 10 DECDHM CCn1cc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000273477888 536073370 /nfs/dbraw/zinc/07/33/70/536073370.db2.gz LIJHVNHRSBTEMW-LLVKDONJSA-N -1 3 303.362 2.246 20 10 DECDHM CCCN(Cc1ccccc1O)c1ccc(-c2nnn[n-]2)cn1 ZINC000821109328 607305181 /nfs/dbraw/zinc/30/51/81/607305181.db2.gz HTFKEZJAMOKOHO-UHFFFAOYSA-N -1 3 310.361 2.384 20 10 DECDHM CCCN(Cc1ccccc1O)c1ccc(-c2nn[n-]n2)cn1 ZINC000821109328 607305182 /nfs/dbraw/zinc/30/51/82/607305182.db2.gz HTFKEZJAMOKOHO-UHFFFAOYSA-N -1 3 310.361 2.384 20 10 DECDHM CN(C(=O)C=Cc1cncc(F)c1)c1ccccc1-c1nnn[n-]1 ZINC000825812267 607790638 /nfs/dbraw/zinc/79/06/38/607790638.db2.gz JMTFODHNZZSYIB-VOTSOKGWSA-N -1 3 324.319 2.077 20 10 DECDHM CN(C(=O)C=Cc1cncc(F)c1)c1ccccc1-c1nn[n-]n1 ZINC000825812267 607790639 /nfs/dbraw/zinc/79/06/39/607790639.db2.gz JMTFODHNZZSYIB-VOTSOKGWSA-N -1 3 324.319 2.077 20 10 DECDHM COc1cc(NC(=O)c2cccc(O)c2[O-])cc(OC)c1OC ZINC000322985204 623137701 /nfs/dbraw/zinc/13/77/01/623137701.db2.gz QFFOFBJOJICTCV-UHFFFAOYSA-N -1 3 319.313 2.376 20 10 DECDHM Cc1ncc2n1CC[C@@H](C(=O)NCc1cccc(Cl)c1[O-])C2 ZINC000890759099 623197923 /nfs/dbraw/zinc/19/79/23/623197923.db2.gz CCQZGZWGDUUPOT-LLVKDONJSA-N -1 3 319.792 2.429 20 10 DECDHM CCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1CO ZINC000317804774 635441264 /nfs/dbraw/zinc/44/12/64/635441264.db2.gz HPKLZKZDXPGLSS-UHFFFAOYSA-N -1 3 303.314 2.241 20 10 DECDHM C[C@@](O)(CNC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1F ZINC000187095295 636989567 /nfs/dbraw/zinc/98/95/67/636989567.db2.gz LURWHOGHKRWAHI-MRXNPFEDSA-N -1 3 323.295 2.014 20 10 DECDHM COC(=O)N1CC(C)(NCc2c([O-])ccc(Cl)c2F)C1 ZINC000894542531 637097893 /nfs/dbraw/zinc/09/78/93/637097893.db2.gz MJMZSEAUIDYISU-UHFFFAOYSA-N -1 3 302.733 2.115 20 10 DECDHM COC(=O)[C@@H]1CSCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895015982 637377447 /nfs/dbraw/zinc/37/74/47/637377447.db2.gz KAVLSFNPFWVCBM-JTQLQIEISA-N -1 3 317.357 2.008 20 10 DECDHM COc1cc[n-]c(=NNC(=S)Nc2cc(C)ccc2F)n1 ZINC000743566085 638157702 /nfs/dbraw/zinc/15/77/02/638157702.db2.gz RHMPFBDYTGYYAH-UHFFFAOYSA-N -1 3 307.354 2.246 20 10 DECDHM O=C1CC2(CCC2)N(Cc2c([O-])ccc(Cl)c2F)CCN1 ZINC000895926652 638270318 /nfs/dbraw/zinc/27/03/18/638270318.db2.gz BFWSISVJKCORBK-UHFFFAOYSA-N -1 3 312.772 2.429 20 10 DECDHM CCN(C)C(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000805451145 641548313 /nfs/dbraw/zinc/54/83/13/641548313.db2.gz BDSXDBOXVRAEPR-UHFFFAOYSA-N -1 3 314.341 2.442 20 10 DECDHM CC(C)(CO)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775702677 642081473 /nfs/dbraw/zinc/08/14/73/642081473.db2.gz CINZJUKZNZQJEK-UHFFFAOYSA-N -1 3 316.804 2.073 20 10 DECDHM COC(=O)Cc1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780964474 642696055 /nfs/dbraw/zinc/69/60/55/642696055.db2.gz WHVKIKXDJFYESD-UHFFFAOYSA-N -1 3 315.325 2.374 20 10 DECDHM C[C@H](NCc1nncn1C)c1cccc(C(F)(F)F)c1[O-] ZINC000788526976 643620618 /nfs/dbraw/zinc/62/06/18/643620618.db2.gz QNWCZYNTMOCHBO-QMMMGPOBSA-N -1 3 300.284 2.390 20 10 DECDHM CC(C)[C@H](NC(=O)NCc1c([O-])cccc1F)c1cnn(C)c1 ZINC000927423040 643698851 /nfs/dbraw/zinc/69/88/51/643698851.db2.gz ACBZQUUKOFAAAS-HNNXBMFYSA-N -1 3 320.368 2.461 20 10 DECDHM COC(=O)[C@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000789870402 643784142 /nfs/dbraw/zinc/78/41/42/643784142.db2.gz OQZXMUQAENPMLS-LBPRGKRZSA-N -1 3 313.309 2.015 20 10 DECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(O)c1[O-] ZINC000790727803 643886105 /nfs/dbraw/zinc/88/61/05/643886105.db2.gz XLPXOHUOQOESNX-UHFFFAOYSA-N -1 3 300.358 2.402 20 10 DECDHM O=S1(=O)CC[C@@H](N(Cc2cc(Cl)ccc2[O-])C2CC2)C1 ZINC000157036690 646496463 /nfs/dbraw/zinc/49/64/63/646496463.db2.gz IGYVUIDGBQFQRF-CYBMUJFWSA-N -1 3 315.822 2.197 20 10 DECDHM C[C@H](NCc1cn(C)nn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815615076 647035969 /nfs/dbraw/zinc/03/59/69/647035969.db2.gz HPYDSJMZCQBUHI-QMMMGPOBSA-N -1 3 300.284 2.390 20 10 DECDHM CN(CC(=O)N1CCCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482721 647140165 /nfs/dbraw/zinc/14/01/65/647140165.db2.gz QCBMXVNUOCAQNT-UHFFFAOYSA-N -1 3 300.761 2.239 20 10 DECDHM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816588981 647156247 /nfs/dbraw/zinc/15/62/47/647156247.db2.gz HRLGFOYBSCXSPM-YACGNSKGSA-N -1 3 312.772 2.271 20 10 DECDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc2c(c1)OCCCO2 ZINC000916106482 647835797 /nfs/dbraw/zinc/83/57/97/647835797.db2.gz PGYDQOISNPMHCH-UHFFFAOYSA-N -1 3 321.354 2.354 20 10 DECDHM Cc1cc([O-])c(CN2CCN(c3cccnn3)CC2)cc1Cl ZINC000824656715 648631412 /nfs/dbraw/zinc/63/14/12/648631412.db2.gz LNDBXQPVIFTSDZ-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)N1CCO ZINC000824925615 648673702 /nfs/dbraw/zinc/67/37/02/648673702.db2.gz AHDDHSZCGHVREM-PHIMTYICSA-N -1 3 316.804 2.072 20 10 DECDHM Cc1cc([O-])c(CN2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)cc1Cl ZINC000825956118 648831143 /nfs/dbraw/zinc/83/11/43/648831143.db2.gz XAJLBPSLTWYMBF-PHIMTYICSA-N -1 3 317.838 2.361 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CC[C@](O)(C(F)F)C1 ZINC000826052450 648843429 /nfs/dbraw/zinc/84/34/29/648843429.db2.gz DOIVDSRQVQDKJI-GFCCVEGCSA-N -1 3 322.149 2.357 20 10 DECDHM COC[C@@]1(C(=O)OC)CCCN1Cc1cc(Cl)ccc1[O-] ZINC000827489902 649041958 /nfs/dbraw/zinc/04/19/58/649041958.db2.gz XUMAEXWBGHIXPW-OAHLLOKOSA-N -1 3 313.781 2.200 20 10 DECDHM CC(C)(C)OC(=O)CN(C(=O)c1cccc(O)c1[O-])C1CCC1 ZINC000848351883 651454014 /nfs/dbraw/zinc/45/40/14/651454014.db2.gz HBTRNCOEQGMADD-UHFFFAOYSA-N -1 3 321.373 2.434 20 10 DECDHM C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000856379044 651912334 /nfs/dbraw/zinc/91/23/34/651912334.db2.gz WPWVCVQMFGMIMG-SNVBAGLBSA-N -1 3 324.377 2.083 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCc2n[nH]cc2C1 ZINC000857877930 652193769 /nfs/dbraw/zinc/19/37/69/652193769.db2.gz RPESPJHOQGSHTD-UHFFFAOYSA-N -1 3 308.179 2.436 20 10 DECDHM C[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858602540 685567295 /nfs/dbraw/zinc/56/72/95/685567295.db2.gz BKCAURVNRFAGSI-QMTHXVAHSA-N -1 3 319.361 2.104 20 10 DECDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Cl)ccc1[O-] ZINC000093417016 684049242 /nfs/dbraw/zinc/04/92/42/684049242.db2.gz MMCIIBNIZUMFPQ-SNVBAGLBSA-N -1 3 305.827 2.301 20 10 DECDHM CCc1n[nH]c(=O)c(C(=O)NCc2c([O-])cccc2F)c1CC ZINC000928706770 693830472 /nfs/dbraw/zinc/83/04/72/693830472.db2.gz ZQJZHRVGZXYYHG-UHFFFAOYSA-N -1 3 319.336 2.082 20 10 DECDHM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928712590 693831780 /nfs/dbraw/zinc/83/17/80/693831780.db2.gz UCDNMLPQZCMOBF-CYBMUJFWSA-N -1 3 322.380 2.185 20 10 DECDHM [O-]c1c(CN[C@@]2(CO)CCOc3ccccc32)ccc(F)c1F ZINC000877499252 690132737 /nfs/dbraw/zinc/13/27/37/690132737.db2.gz NFXBKRMKSRXHHS-QGZVFWFLSA-N -1 3 321.323 2.430 20 10 DECDHM [O-]c1ccc(Cl)cc1CNCc1cn(C[C@@H]2CCCO2)nn1 ZINC000877612767 690167701 /nfs/dbraw/zinc/16/77/01/690167701.db2.gz NZPGIQHHJLIVSR-AWEZNQCLSA-N -1 3 322.796 2.106 20 10 DECDHM C[C@@H](N[C@@H]1CNOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000925862898 693356219 /nfs/dbraw/zinc/35/62/19/693356219.db2.gz ZYEKMJPYTVQORI-HTRCEHHLSA-N -1 3 321.602 2.362 20 10 DECDHM O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc([O-])c(F)c1 ZINC000588404767 777079031 /nfs/dbraw/zinc/07/90/31/777079031.db2.gz GPHUKWAWQDYRFB-UTCJRWHESA-N -1 3 303.289 2.272 20 10 DECDHM CCOc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1O ZINC001148224402 791714060 /nfs/dbraw/zinc/71/40/60/791714060.db2.gz KEGAPTLSRGQZLG-UHFFFAOYSA-N -1 3 303.314 2.132 20 10 DECDHM Cc1ccc(CCCO)c(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148585878 791777682 /nfs/dbraw/zinc/77/76/82/791777682.db2.gz CFKMEYCQJVLROV-UHFFFAOYSA-N -1 3 317.341 2.289 20 10 DECDHM COCCNC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001186559162 796416122 /nfs/dbraw/zinc/41/61/22/796416122.db2.gz DBUVBFLAQBMPPB-UHFFFAOYSA-N -1 3 309.753 2.039 20 10 DECDHM CCOC(=O)c1nc2c(o1)CCN(Cc1cc(F)ccc1[O-])C2 ZINC001140058917 796471854 /nfs/dbraw/zinc/47/18/54/796471854.db2.gz OMQDPRQDNDZDMR-UHFFFAOYSA-N -1 3 320.320 2.254 20 10 DECDHM O=C1CCC[C@@]2(CCCN(Cc3cc(F)c(F)cc3[O-])C2)N1 ZINC001142517781 796747380 /nfs/dbraw/zinc/74/73/80/796747380.db2.gz ZQLUWJYMQOHBDN-INIZCTEOSA-N -1 3 310.344 2.305 20 10 DECDHM O=C(c1cc(O)c([O-])c(Cl)c1)N1CCC(c2cnc[nH]2)CC1 ZINC001193611928 797592387 /nfs/dbraw/zinc/59/23/87/797592387.db2.gz JTVNLKKEVNCCAH-UHFFFAOYSA-N -1 3 321.764 2.494 20 10 DECDHM COC(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(O)c1[O-] ZINC001162573902 799120832 /nfs/dbraw/zinc/12/08/32/799120832.db2.gz FBGRRCTUOCBRRV-UHFFFAOYSA-N -1 3 313.309 2.087 20 10 DECDHM C[C@H](NCc1ccc(Br)cc1[O-])c1ncn(C)n1 ZINC000691395272 799508797 /nfs/dbraw/zinc/50/87/97/799508797.db2.gz LQKXKDUUQJVXFP-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM Cn1ccc(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)n1 ZINC001231453925 801669218 /nfs/dbraw/zinc/66/92/18/801669218.db2.gz MBYPYVCCGXHPEV-UHFFFAOYSA-N -1 3 315.373 2.204 20 10 DECDHM Cc1nc(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)no1 ZINC001231452385 801669400 /nfs/dbraw/zinc/66/94/00/801669400.db2.gz NWZNUMHMMURFLD-UHFFFAOYSA-N -1 3 317.345 2.161 20 10 DECDHM Cc1cnc(O[C@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)nc1 ZINC001233336161 802079114 /nfs/dbraw/zinc/07/91/14/802079114.db2.gz ARXXKWGZRMBMEX-NSHDSACASA-N -1 3 321.327 2.422 20 10 DECDHM CS(=O)(=O)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233453972 802121929 /nfs/dbraw/zinc/12/19/29/802121929.db2.gz AZBKHEMNVFGCHM-LLVKDONJSA-N -1 3 323.336 2.030 20 10 DECDHM Cc1cc(O[C@H]2C[C@@H](O)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218419976 802179957 /nfs/dbraw/zinc/17/99/57/802179957.db2.gz BNLJIQDJDGHPTA-PHIMTYICSA-N -1 3 324.332 2.378 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1CCOC1 ZINC001227937078 803297081 /nfs/dbraw/zinc/29/70/81/803297081.db2.gz AHAPOJCREJISBL-GFCCVEGCSA-N -1 3 300.310 2.497 20 10 DECDHM C[C@@H](N[C@H](C)c1c([O-])cccc1F)C(=O)NCC(F)(F)F ZINC001331229120 1149400773 /nfs/dbraw/zinc/40/07/73/1149400773.db2.gz HCHOSTVZTUCRDM-HTQZYQBOSA-N -1 3 308.275 2.249 20 10 DECDHM O=C([N-]c1c2nonc2ccc1Cl)c1cc2n(n1)CCCO2 ZINC001342950613 1150635131 /nfs/dbraw/zinc/63/51/31/1150635131.db2.gz HSTUMKCTZHJYSC-UHFFFAOYSA-N -1 3 319.708 2.108 20 10 DECDHM C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274237 994624486 /nfs/dbraw/zinc/62/44/86/994624486.db2.gz KJMQQQAHAVPZPM-GFCCVEGCSA-N -1 3 315.369 2.476 20 10 DECDHM COc1cccc(C[C@@H]([NH2+]Cc2ccccc2[O-])C(=O)[O-])c1 ZINC001599670241 994798836 /nfs/dbraw/zinc/79/88/36/994798836.db2.gz SLVMEWQWRTZKDJ-OAHLLOKOSA-N -1 3 301.342 2.186 20 10 DECDHM C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603552235 1069986260 /nfs/dbraw/zinc/98/62/60/1069986260.db2.gz UUIGQCYOKRQVPL-NWDGAFQWSA-N -1 3 324.388 2.422 20 10 DECDHM C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccns1 ZINC001603650565 1070020229 /nfs/dbraw/zinc/02/02/29/1070020229.db2.gz LBJSYMJSIRJRMX-RKDXNWHRSA-N -1 3 316.390 2.441 20 10 DECDHM CC[C@H](C[C@H](C)O)[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604014495 1070176622 /nfs/dbraw/zinc/17/66/22/1070176622.db2.gz ABAGMXUMMGIBCT-WDMOLILDSA-N -1 3 319.409 2.163 20 10 DECDHM CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053411 1070186787 /nfs/dbraw/zinc/18/67/87/1070186787.db2.gz CBPOHHFDMOHHFA-BXUZGUMPSA-N -1 3 319.409 2.022 20 10 DECDHM CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@H]1CCCO1 ZINC001604055492 1070189180 /nfs/dbraw/zinc/18/91/80/1070189180.db2.gz PRDJHRHGFNRPBZ-LEWSCRJBSA-N -1 3 317.393 2.181 20 10 DECDHM CC[C@@H]([NH2+]CC1(OC)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055350 1070189489 /nfs/dbraw/zinc/18/94/89/1070189489.db2.gz MNSRYLABRGMEEI-CYBMUJFWSA-N -1 3 317.393 2.182 20 10 DECDHM CCCCOCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604187970 1070271056 /nfs/dbraw/zinc/27/10/56/1070271056.db2.gz DMMQHXFSSZDOGA-LLVKDONJSA-N -1 3 305.382 2.040 20 10 DECDHM C[C@H]([NH2+]Cc1ccc(CO)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604348675 1070343226 /nfs/dbraw/zinc/34/32/26/1070343226.db2.gz ATLZHUWIPQGUHQ-NSHDSACASA-N -1 3 301.342 2.434 20 10 DECDHM CCOc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c([O-])c1 ZINC001605691062 1070840434 /nfs/dbraw/zinc/84/04/34/1070840434.db2.gz UQFOYONSKTZUAE-AWEZNQCLSA-N -1 3 305.374 2.478 20 10 DECDHM COc1c([O-])c(CN[C@@H]2C[C@H](C)n3ccnc32)ccc1[N+](=O)[O-] ZINC001462241390 1058788746 /nfs/dbraw/zinc/78/87/46/1058788746.db2.gz WQFSYEOJWQRYRQ-GXSJLCMTSA-N -1 3 318.333 2.301 20 10 DECDHM Nc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC001476863295 1061122749 /nfs/dbraw/zinc/12/27/49/1061122749.db2.gz LKNIIMNVHWLIIF-UHFFFAOYSA-N -1 3 320.280 2.343 20 10 DECDHM O=C(CCC(=O)c1ccccn1)NCc1c([O-])cccc1F ZINC001635366938 1078448991 /nfs/dbraw/zinc/44/89/91/1078448991.db2.gz SCGBAMNQINLAGK-UHFFFAOYSA-N -1 3 302.305 2.206 20 10 DECDHM O=c1[nH]c2nc(Cl)nc(NCc3c([O-])cccc3F)c2[nH]1 ZINC001559284437 1075118142 /nfs/dbraw/zinc/11/81/42/1075118142.db2.gz BUBDJBXZXUMXEW-UHFFFAOYSA-N -1 3 309.688 2.169 20 10 DECDHM CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590468132 1076634463 /nfs/dbraw/zinc/63/44/63/1076634463.db2.gz SRLHMXFFQGYTOY-FZMZJTMJSA-N -1 3 317.393 2.182 20 10 DECDHM CC[C@@H]([NH2+]CCOC(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470246 1076635463 /nfs/dbraw/zinc/63/54/63/1076635463.db2.gz PMGHRPVLMFSWPK-CYBMUJFWSA-N -1 3 319.409 2.428 20 10 DECDHM CCOC[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C(C)C ZINC001590800448 1076679135 /nfs/dbraw/zinc/67/91/35/1076679135.db2.gz POGYWMYQTIWTSU-SMDDNHRTSA-N -1 3 319.409 2.284 20 10 DECDHM CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C1CC1 ZINC001591326442 1076722769 /nfs/dbraw/zinc/72/27/69/1076722769.db2.gz LDRNMYAHHDIMKV-FCHSOHFDSA-N -1 3 317.393 2.036 20 10 DECDHM COCC1(CC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001591387834 1076738593 /nfs/dbraw/zinc/73/85/93/1076738593.db2.gz GDALWKVXIXGZMZ-LLVKDONJSA-N -1 3 317.393 2.040 20 10 DECDHM Cc1cc(-c2nnn[n-]2)cc(NCc2ccc(N(C)C)cc2)n1 ZINC001591860114 1076798130 /nfs/dbraw/zinc/79/81/30/1076798130.db2.gz XIVRBEWCZXKADD-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM Cc1cc(-c2nn[n-]n2)cc(NCc2ccc(N(C)C)cc2)n1 ZINC001591860114 1076798131 /nfs/dbraw/zinc/79/81/31/1076798131.db2.gz XIVRBEWCZXKADD-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM Cc1ccc(C=CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cn1 ZINC001592145321 1076859197 /nfs/dbraw/zinc/85/91/97/1076859197.db2.gz YVOWIAHXXMCQNT-KTKRTIGZSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ccc(C=CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cn1 ZINC001592145321 1076859199 /nfs/dbraw/zinc/85/91/99/1076859199.db2.gz YVOWIAHXXMCQNT-KTKRTIGZSA-N -1 3 320.356 2.246 20 10 DECDHM C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778169 1077921383 /nfs/dbraw/zinc/92/13/83/1077921383.db2.gz NFDJYZQCONYIPM-BXKDBHETSA-N -1 3 301.346 2.022 20 10 DECDHM Cc1ccccc1[C@H](CO)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC001657381734 1080171494 /nfs/dbraw/zinc/17/14/94/1080171494.db2.gz IBCPVGOWJCIUAV-HNNXBMFYSA-N -1 3 302.330 2.432 20 10 DECDHM CC(C)C(=O)N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001657416963 1080172698 /nfs/dbraw/zinc/17/26/98/1080172698.db2.gz RODYQQSZJTXHFH-UHFFFAOYSA-N -1 3 312.360 2.361 20 10 DECDHM O=C(Cn1cc(NCc2ccc(Cl)cc2[O-])cn1)NC1CC1 ZINC001664234433 1080881342 /nfs/dbraw/zinc/88/13/42/1080881342.db2.gz QIBGVXDLPPLWIL-UHFFFAOYSA-N -1 3 320.780 2.133 20 10 DECDHM O=C(C1CC1)N1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001664323765 1080895959 /nfs/dbraw/zinc/89/59/59/1080895959.db2.gz AUUCPLBPUAHXJS-UHFFFAOYSA-N -1 3 310.344 2.115 20 10 DECDHM COc1ccc(NC(=O)NCc2c([O-])cccc2F)c(OC)n1 ZINC001666481733 1081155277 /nfs/dbraw/zinc/15/52/77/1081155277.db2.gz GGYZBIBOCUMTLQ-UHFFFAOYSA-N -1 3 321.308 2.265 20 10 DECDHM CC(C)(C)NC(=O)[C@@]12C[C@@H]1CCN2Cc1c([O-])cccc1F ZINC001277484041 1083996388 /nfs/dbraw/zinc/99/63/88/1083996388.db2.gz HUFMKZSZJYKYFO-APPDUMDISA-N -1 3 306.381 2.410 20 10 DECDHM Cc1nc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])no1 ZINC001192003052 1091964698 /nfs/dbraw/zinc/96/46/98/1091964698.db2.gz YYDMYXFXVLZOON-UHFFFAOYSA-N -1 3 318.720 2.215 20 10 DECDHM C[C@]1(CO)CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H]1O ZINC001236792096 1138430119 /nfs/dbraw/zinc/43/01/19/1138430119.db2.gz BMUHZYQPYOWYHW-UONOGXRCSA-N -1 3 320.216 2.264 20 10 DECDHM C[C@@]1(CO)CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@H]1O ZINC001236792095 1138430505 /nfs/dbraw/zinc/43/05/05/1138430505.db2.gz BMUHZYQPYOWYHW-KGLIPLIRSA-N -1 3 320.216 2.264 20 10 DECDHM CCOC(=O)[C@H]1CCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236810291 1138435498 /nfs/dbraw/zinc/43/54/98/1138435498.db2.gz RUVMDOGLVIVIQR-NSHDSACASA-N -1 3 313.781 2.439 20 10 DECDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001237618477 1138718751 /nfs/dbraw/zinc/71/87/51/1138718751.db2.gz HULBYHCWLAWLRB-CHWSQXEVSA-N -1 3 312.772 2.380 20 10 DECDHM Cc1cc(CN2CCN(C#N)CC2)c([O-])cc1Br ZINC001250136102 1142086204 /nfs/dbraw/zinc/08/62/04/1142086204.db2.gz MSUCLQZYCGFQJZ-UHFFFAOYSA-N -1 3 310.195 2.062 20 10 DECDHM O=C(COc1ccc([N+](=O)[O-])cc1)NCc1c([O-])cccc1F ZINC001303879048 1147336816 /nfs/dbraw/zinc/33/68/16/1147336816.db2.gz TZQCDGVACAYQGT-UHFFFAOYSA-N -1 3 320.276 2.135 20 10 DECDHM Cn1cc(C(=O)NCc2c([O-])cccc2F)c(-c2ccco2)n1 ZINC001303875954 1147336861 /nfs/dbraw/zinc/33/68/61/1147336861.db2.gz SCPVQDCZHKERMN-UHFFFAOYSA-N -1 3 315.304 2.455 20 10 DECDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NC(C)(C)C ZINC000273361963 299345192 /nfs/dbraw/zinc/34/51/92/299345192.db2.gz APHPNMLZUSAUTA-UWVGGRQHSA-N -1 3 309.366 2.254 20 10 DECDHM CN(CCN1CCOCC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092974821 193190885 /nfs/dbraw/zinc/19/08/85/193190885.db2.gz WLSUDZCBMYNVFZ-UHFFFAOYSA-N -1 3 319.232 2.463 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c([O-])c1O ZINC000272723256 130057584 /nfs/dbraw/zinc/05/75/84/130057584.db2.gz FUBJEQQYCMNYDG-LLVKDONJSA-N -1 3 301.346 2.149 20 10 DECDHM O=S1(=O)CCN(Cc2cc(F)ccc2[O-])Cc2ccccc21 ZINC000187684557 296485796 /nfs/dbraw/zinc/48/57/96/296485796.db2.gz CYDLYVKMBVITCS-UHFFFAOYSA-N -1 3 321.373 2.321 20 10 DECDHM CCNC(=O)CN(CC)Cc1cc(Br)ccc1[O-] ZINC000076118557 401783538 /nfs/dbraw/zinc/78/35/38/401783538.db2.gz KKWPRJMQDIZSLC-UHFFFAOYSA-N -1 3 315.211 2.113 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)C[S@@](C)=O)c1[O-] ZINC000126220565 402269994 /nfs/dbraw/zinc/26/99/94/402269994.db2.gz MBRGQBUNEYFKDP-LXGOIASLSA-N -1 3 317.838 2.447 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)C[S@@](C)=O)c1[O-] ZINC000126220793 402270433 /nfs/dbraw/zinc/27/04/33/402270433.db2.gz MBRGQBUNEYFKDP-YBYGRFCBSA-N -1 3 317.838 2.447 20 10 DECDHM COc1ccccc1CNC(=O)CN(C)Cc1ccccc1[O-] ZINC000109770995 402276227 /nfs/dbraw/zinc/27/62/27/402276227.db2.gz RMVXNEXCRLWAPD-UHFFFAOYSA-N -1 3 314.385 2.149 20 10 DECDHM CS(=O)(=O)C[C@H](NCc1cc(F)ccc1[O-])c1ccccc1 ZINC000184945844 402311582 /nfs/dbraw/zinc/31/15/82/402311582.db2.gz QJHYGBVRKBKXLY-HNNXBMFYSA-N -1 3 323.389 2.407 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN[C@H](C(N)=O)C(C)(C)C)c1[O-] ZINC000177145352 402374973 /nfs/dbraw/zinc/37/49/73/402374973.db2.gz WKFSHOICEJYAGS-CYBMUJFWSA-N -1 3 312.797 2.238 20 10 DECDHM COCCn1nc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000179539924 402593835 /nfs/dbraw/zinc/59/38/35/402593835.db2.gz KXBIELIEAMVPEQ-UHFFFAOYSA-N -1 3 319.361 2.118 20 10 DECDHM CC[C@H](C(N)=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000174425070 402740808 /nfs/dbraw/zinc/74/08/08/402740808.db2.gz TUIBKRNNWTYMBL-LLVKDONJSA-N -1 3 315.211 2.241 20 10 DECDHM C[C@H]1CCNC(=O)[C@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000193700574 402775919 /nfs/dbraw/zinc/77/59/19/402775919.db2.gz VJGXZDILKXXHMT-CPCISQLKSA-N -1 3 303.189 2.313 20 10 DECDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000279812970 402962265 /nfs/dbraw/zinc/96/22/65/402962265.db2.gz LGROCAYSKPMULG-GFCCVEGCSA-N -1 3 309.362 2.194 20 10 DECDHM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000279810814 402962358 /nfs/dbraw/zinc/96/23/58/402962358.db2.gz LCYAYWHUEINDQA-UHFFFAOYSA-N -1 3 309.362 2.290 20 10 DECDHM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280415608 402997409 /nfs/dbraw/zinc/99/74/09/402997409.db2.gz IGHLFQKGLGQTMP-LLVKDONJSA-N -1 3 321.373 2.292 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2snnc2C)c1 ZINC000293354525 403451567 /nfs/dbraw/zinc/45/15/67/403451567.db2.gz HBQUIONCFJJCOE-MRVPVSSYSA-N -1 3 307.375 2.190 20 10 DECDHM Cn1ccnc1[C@H](NCc1cc(F)ccc1[O-])C(C)(C)CO ZINC000295136180 403770600 /nfs/dbraw/zinc/77/06/00/403770600.db2.gz YVQSAXFXUFOGDV-AWEZNQCLSA-N -1 3 307.369 2.114 20 10 DECDHM O=C1N[C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C[C@@H]2CO1 ZINC000294842835 403735167 /nfs/dbraw/zinc/73/51/67/403735167.db2.gz ZIPNRHSAHHFPNQ-SKDRFNHKSA-N -1 3 314.744 2.115 20 10 DECDHM [O-]c1c(Cl)cccc1CN[C@@H]1CCCc2c1cnn2CCO ZINC000317390723 404036600 /nfs/dbraw/zinc/03/66/00/404036600.db2.gz VTMGLCCLRHFEJH-CQSZACIVSA-N -1 3 321.808 2.402 20 10 DECDHM [O-]c1cc2c(cc1CN1CCOC[C@H]1c1ccco1)OCO2 ZINC000378343227 404933676 /nfs/dbraw/zinc/93/36/76/404933676.db2.gz SCOJKELYOHEDEX-LBPRGKRZSA-N -1 3 303.314 2.287 20 10 DECDHM O=[N+]([O-])c1ccc([O-])c(CNCc2cnc3n2CCCC3)c1 ZINC000367415524 405041846 /nfs/dbraw/zinc/04/18/46/405041846.db2.gz OEFOWRDRPGUDDK-UHFFFAOYSA-N -1 3 302.334 2.123 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000193010667 225148402 /nfs/dbraw/zinc/14/84/02/225148402.db2.gz LPFHIRRFRWCTLB-OAHLLOKOSA-N -1 3 317.316 2.451 20 10 DECDHM CCn1ccnc1CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000834878561 649857083 /nfs/dbraw/zinc/85/70/83/649857083.db2.gz FCXPGUQZCDGWDO-LLVKDONJSA-N -1 3 303.362 2.246 20 10 DECDHM CC[C@H](NCC(=O)NCC(F)F)c1cccc(Cl)c1[O-] ZINC000286868552 288036205 /nfs/dbraw/zinc/03/62/05/288036205.db2.gz BPNNWOFLYRQPHP-JTQLQIEISA-N -1 3 306.740 2.468 20 10 DECDHM C[C@@H]1CCS(=O)(=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000192056232 534118569 /nfs/dbraw/zinc/11/85/69/534118569.db2.gz XXJHJJFCYSHOJI-SNVBAGLBSA-N -1 3 303.811 2.055 20 10 DECDHM Cc1ccc(C(=O)NCC2(CCO)CCCCC2)c([O-])c1O ZINC000182612675 526158037 /nfs/dbraw/zinc/15/80/37/526158037.db2.gz SYYMQTKFEYKDGT-UHFFFAOYSA-N -1 3 307.390 2.469 20 10 DECDHM Cc1ccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([O-])c1O ZINC000182900797 526216982 /nfs/dbraw/zinc/21/69/82/526216982.db2.gz ZPKVOEQXXKDRTE-CQDKDKBSSA-N -1 3 303.358 2.094 20 10 DECDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000188598380 527229731 /nfs/dbraw/zinc/22/97/31/527229731.db2.gz IDSBNDZROBEQDR-UHFFFAOYSA-N -1 3 306.387 2.358 20 10 DECDHM CC(C)(O)C1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000297334929 527315072 /nfs/dbraw/zinc/31/50/72/527315072.db2.gz FDTGUKHBLRVEIY-UHFFFAOYSA-N -1 3 300.196 2.357 20 10 DECDHM CN1CCN(C(=O)/C=C\c2cncc([O-])c2)c2ccccc2C1 ZINC000492441470 536399084 /nfs/dbraw/zinc/39/90/84/536399084.db2.gz NERPXULXAICWRG-SREVYHEPSA-N -1 3 309.369 2.279 20 10 DECDHM COc1cc(Br)cc(C[N@H+](C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000820754764 598131280 /nfs/dbraw/zinc/13/12/80/598131280.db2.gz NSZZTKJRZCMTLV-ZETCQYMHSA-N -1 3 318.167 2.068 20 10 DECDHM COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000820754764 598131282 /nfs/dbraw/zinc/13/12/82/598131282.db2.gz NSZZTKJRZCMTLV-ZETCQYMHSA-N -1 3 318.167 2.068 20 10 DECDHM CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000320436035 600942080 /nfs/dbraw/zinc/94/20/80/600942080.db2.gz HWAWNIKWKOJPIC-CFNZNRNTSA-N -1 3 319.361 2.223 20 10 DECDHM Cc1ccncc1C=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826315890 609503232 /nfs/dbraw/zinc/50/32/32/609503232.db2.gz XWMCFQNOBMHBBU-YVMONPNESA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ccncc1C=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826315890 609503234 /nfs/dbraw/zinc/50/32/34/609503234.db2.gz XWMCFQNOBMHBBU-YVMONPNESA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ccnc(NCc2ccc(N(C)C)cc2)c1-c1nnn[n-]1 ZINC000826314115 609523695 /nfs/dbraw/zinc/52/36/95/609523695.db2.gz HDQSJHURAZBQRM-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM Cc1ccnc(NCc2ccc(N(C)C)cc2)c1-c1nn[n-]n1 ZINC000826314115 609523697 /nfs/dbraw/zinc/52/36/97/609523697.db2.gz HDQSJHURAZBQRM-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(C(N)=O)c(C)c2)c([O-])c1O ZINC000182380301 625255813 /nfs/dbraw/zinc/25/58/13/625255813.db2.gz DRAQRGUROHPXIQ-UHFFFAOYSA-N -1 3 300.314 2.066 20 10 DECDHM CCOC(=O)CN(Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000726589718 636445516 /nfs/dbraw/zinc/44/55/16/636445516.db2.gz PEXUAJAYXXSACY-UHFFFAOYSA-N -1 3 300.358 2.468 20 10 DECDHM COC(=O)[C@@]1(F)CCN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840923062 650383625 /nfs/dbraw/zinc/38/36/25/650383625.db2.gz RJJUCFQMCKONRT-CQSZACIVSA-N -1 3 301.745 2.441 20 10 DECDHM COc1cc(C(=O)NCc2ccccc2O)cc(OC)c1[O-] ZINC000764066061 640600279 /nfs/dbraw/zinc/60/02/79/640600279.db2.gz CGCRQTOHHNJWPP-UHFFFAOYSA-N -1 3 303.314 2.045 20 10 DECDHM COc1ncccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775035226 641997286 /nfs/dbraw/zinc/99/72/86/641997286.db2.gz XEXVZEVDOIERNY-UHFFFAOYSA-N -1 3 305.290 2.325 20 10 DECDHM COc1c([O-])c(CNCc2ncccc2F)ccc1[N+](=O)[O-] ZINC000775033303 641997826 /nfs/dbraw/zinc/99/78/26/641997826.db2.gz LNASBHVQQOQRKR-UHFFFAOYSA-N -1 3 307.281 2.133 20 10 DECDHM COc1cccnc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775047907 641999607 /nfs/dbraw/zinc/99/96/07/641999607.db2.gz OBVJXGAVITWWIA-UHFFFAOYSA-N -1 3 305.290 2.325 20 10 DECDHM O=C(Nc1ccc(N2CCOC2=O)cc1)c1cccc(O)c1[O-] ZINC000776631420 642194281 /nfs/dbraw/zinc/19/42/81/642194281.db2.gz JBTVOBOVMLMECW-UHFFFAOYSA-N -1 3 314.297 2.307 20 10 DECDHM COC(=O)[C@@H](Cc1ccccc1)NCc1cc(F)ccc1[O-] ZINC000789572318 643749728 /nfs/dbraw/zinc/74/97/28/643749728.db2.gz PYEFMHAWPFLMNM-OAHLLOKOSA-N -1 3 303.333 2.405 20 10 DECDHM COC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccs1 ZINC000790504898 643860361 /nfs/dbraw/zinc/86/03/61/643860361.db2.gz OVVISPNRTGJXFC-SNVBAGLBSA-N -1 3 321.354 2.194 20 10 DECDHM O=C(NCc1nc2c(s1)CCCC2)c1cccc(O)c1[O-] ZINC000790627482 643874666 /nfs/dbraw/zinc/87/46/66/643874666.db2.gz QDQSCGAZINZWJY-UHFFFAOYSA-N -1 3 304.371 2.363 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1cccc(F)c1 ZINC000790918519 643908985 /nfs/dbraw/zinc/90/89/85/643908985.db2.gz APBHTGPXVCCLIP-LKFCYVNXSA-N -1 3 305.305 2.089 20 10 DECDHM CCCCn1cc(CNC(=O)c2cccc(O)c2[O-])c(C)n1 ZINC000790918720 643909130 /nfs/dbraw/zinc/90/91/30/643909130.db2.gz VZQNBQKBSDBMNA-UHFFFAOYSA-N -1 3 303.362 2.333 20 10 DECDHM Cc1cc(Cl)cc(C[NH2+]CC2(C(=O)[O-])CCOCC2)c1[O-] ZINC000843038465 650873791 /nfs/dbraw/zinc/87/37/91/650873791.db2.gz HVLGNPPYDQYRAG-UHFFFAOYSA-N -1 3 313.781 2.325 20 10 DECDHM O=C1N[C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C[C@@H]2CO1 ZINC000798957704 645103206 /nfs/dbraw/zinc/10/32/06/645103206.db2.gz LLLJWGHQKHPOFY-SKDRFNHKSA-N -1 3 314.744 2.115 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC2(CCN2Cc2ccccc2)C1 ZINC000910778942 645553767 /nfs/dbraw/zinc/55/37/67/645553767.db2.gz DSASYOXWMSDFNI-UHFFFAOYSA-N -1 3 324.380 2.198 20 10 DECDHM CCOC(=O)[C@H]1CN(Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513784 647145547 /nfs/dbraw/zinc/14/55/47/647145547.db2.gz BMPVGLFMWFJGMT-MRXNPFEDSA-N -1 3 315.369 2.309 20 10 DECDHM CSc1cc(O)ccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000818049864 647414138 /nfs/dbraw/zinc/41/41/38/647414138.db2.gz ZNXRWBRBPUEPMV-UHFFFAOYSA-N -1 3 317.432 2.282 20 10 DECDHM CCOC(=O)[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000824849179 648661728 /nfs/dbraw/zinc/66/17/28/648661728.db2.gz CLCRVGABIJZEKB-CQSZACIVSA-N -1 3 313.781 2.118 20 10 DECDHM Cc1cc([O-])c(CN2CCOC[C@@H]2c2ncon2)cc1Cl ZINC000825460954 648765470 /nfs/dbraw/zinc/76/54/70/648765470.db2.gz CMSVAUCJVSNFIH-GFCCVEGCSA-N -1 3 309.753 2.311 20 10 DECDHM Cc1cc([O-])c(CN2CC[C@@H](C)S(=O)(=O)CC2)cc1Cl ZINC000825697598 648800729 /nfs/dbraw/zinc/80/07/29/648800729.db2.gz HNHBKWLNRMDRLF-LLVKDONJSA-N -1 3 317.838 2.363 20 10 DECDHM Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c([O-])c1 ZINC000185390741 649517168 /nfs/dbraw/zinc/51/71/68/649517168.db2.gz JRHJGRMPPPGUIS-LLVKDONJSA-N -1 3 301.342 2.473 20 10 DECDHM Cc1ccc(C(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c([O-])c1O ZINC000855107509 651624759 /nfs/dbraw/zinc/62/47/59/651624759.db2.gz OIKBTOAXUIVSHI-NSHDSACASA-N -1 3 303.318 2.233 20 10 DECDHM CC(C)(C)OC(=O)C1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928705338 693830350 /nfs/dbraw/zinc/83/03/50/693830350.db2.gz HEXAVOXAWNWDSK-UHFFFAOYSA-N -1 3 309.337 2.269 20 10 DECDHM O=C(CCC1CCCC1)NCC(=O)NCc1c([O-])cccc1F ZINC000928712065 693831553 /nfs/dbraw/zinc/83/15/53/693831553.db2.gz NXDVTYVLPMPHKP-UHFFFAOYSA-N -1 3 322.380 2.234 20 10 DECDHM CCNC(=O)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000188180308 684351256 /nfs/dbraw/zinc/35/12/56/684351256.db2.gz KZFCTGZSOXJUPN-UHFFFAOYSA-N -1 3 300.314 2.100 20 10 DECDHM O=C1CCCN1[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876716427 689913726 /nfs/dbraw/zinc/91/37/26/689913726.db2.gz ZSKCXGOWWPNLQQ-GFCCVEGCSA-N -1 3 310.344 2.257 20 10 DECDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)c(N(C)C)nn1 ZINC000931895775 694500058 /nfs/dbraw/zinc/50/00/58/694500058.db2.gz ZHMRQGJFEOTTFB-UHFFFAOYSA-N -1 3 319.340 2.017 20 10 DECDHM Cc1ncc(C(=O)NCc2c([O-])cccc2F)c(C2CC2)n1 ZINC001332476126 1149862917 /nfs/dbraw/zinc/86/29/17/1149862917.db2.gz DHJMFROGCCEKQR-UHFFFAOYSA-N -1 3 301.321 2.437 20 10 DECDHM CN1C[C@@H]2C[C@H]1CN2Cc1cc(Br)c(F)cc1[O-] ZINC001144306776 790853922 /nfs/dbraw/zinc/85/39/22/790853922.db2.gz PXYYLNUSFDCBLG-UWVGGRQHSA-N -1 3 315.186 2.182 20 10 DECDHM Cc1[nH]nc(NC(=O)c2cccc(O)c2[O-])c1Br ZINC001148213130 791710572 /nfs/dbraw/zinc/71/05/72/791710572.db2.gz XEIWRMMTGAHQQT-UHFFFAOYSA-N -1 3 312.123 2.144 20 10 DECDHM COc1cccnc1[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC001148224702 791714743 /nfs/dbraw/zinc/71/47/43/791714743.db2.gz SUDDEKUFIHQQMB-AWEZNQCLSA-N -1 3 314.341 2.383 20 10 DECDHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccccc2[O-])C1 ZINC001119602145 795329030 /nfs/dbraw/zinc/32/90/30/795329030.db2.gz JQKYWEAVCYYIFW-MNOVXSKESA-N -1 3 303.280 2.477 20 10 DECDHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccccc2[O-])C1 ZINC001119602145 795329035 /nfs/dbraw/zinc/32/90/35/795329035.db2.gz JQKYWEAVCYYIFW-MNOVXSKESA-N -1 3 303.280 2.477 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1nc2c(s1)COCC2 ZINC001119824538 795359728 /nfs/dbraw/zinc/35/97/28/795359728.db2.gz ZEHMWAXPTARNLU-UHFFFAOYSA-N -1 3 323.349 2.382 20 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310.313 2.239 20 10 DECDHM Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(C(N)=O)c1 ZINC001143062646 796799020 /nfs/dbraw/zinc/79/90/20/796799020.db2.gz VUYOMXQTNYLDGX-UHFFFAOYSA-N -1 3 300.314 2.066 20 10 DECDHM O=C(c1ccc(=O)[n-]c1Cl)N1CCc2cccc(O)c2C1 ZINC001190909725 797111227 /nfs/dbraw/zinc/11/12/27/797111227.db2.gz JYXNGHXTDQEGTA-UHFFFAOYSA-N -1 3 304.733 2.345 20 10 DECDHM [O-]c1cccc(F)c1CNCc1nc(Br)c[nH]1 ZINC001207621300 800790722 /nfs/dbraw/zinc/79/07/22/800790722.db2.gz DKQDBIBKOYJLFQ-UHFFFAOYSA-N -1 3 300.131 2.307 20 10 DECDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CCCOC3)CC2)c1 ZINC001231565994 801687591 /nfs/dbraw/zinc/68/75/91/801687591.db2.gz GQUZIKMMCAMMDP-UHFFFAOYSA-N -1 3 305.374 2.483 20 10 DECDHM COC(=O)[C@@]1(C)COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231872427 801742466 /nfs/dbraw/zinc/74/24/66/801742466.db2.gz ZHBBGICTMWXEHK-OAHLLOKOSA-N -1 3 313.781 2.118 20 10 DECDHM COCc1noc2c1CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232260128 801831035 /nfs/dbraw/zinc/83/10/35/801831035.db2.gz PJTWYUGSOPDECP-UHFFFAOYSA-N -1 3 324.764 2.444 20 10 DECDHM CC(C)C(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232266240 801833757 /nfs/dbraw/zinc/83/37/57/801833757.db2.gz SIKDVYNZMKXPMC-UHFFFAOYSA-N -1 3 312.797 2.051 20 10 DECDHM COc1cc([O-])c(CN2CC3(CCO3)C2)cc1Br ZINC001233140916 802034530 /nfs/dbraw/zinc/03/45/30/802034530.db2.gz XTWLOGMEYMSETL-UHFFFAOYSA-N -1 3 314.179 2.138 20 10 DECDHM [O-]c1ccc(F)c(F)c1CN1CC(N2CCC(F)CC2)C1 ZINC001233335427 802080394 /nfs/dbraw/zinc/08/03/94/802080394.db2.gz UWNPBXRYVPQQGO-UHFFFAOYSA-N -1 3 300.324 2.289 20 10 DECDHM CCN1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1=O ZINC001233455138 802120960 /nfs/dbraw/zinc/12/09/60/802120960.db2.gz XTHAQYWFPHKRES-UHFFFAOYSA-N -1 3 302.296 2.075 20 10 DECDHM CC(=O)[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC001233455461 802121196 /nfs/dbraw/zinc/12/11/96/802121196.db2.gz LVLADZAFXVQWNG-ZDUSSCGKSA-N -1 3 303.280 2.201 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@@H]1CCO1 ZINC001227938209 803297211 /nfs/dbraw/zinc/29/72/11/803297211.db2.gz UENUWJFZRSDSDH-LBPRGKRZSA-N -1 3 300.310 2.497 20 10 DECDHM CC(C)c1ccc(O)c(CN2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001591974511 976590156 /nfs/dbraw/zinc/59/01/56/976590156.db2.gz ZPLGVXYGIJRHOG-QGZVFWFLSA-N -1 3 318.373 2.321 20 10 DECDHM CO[C@@]1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCSC1 ZINC001599090580 997185059 /nfs/dbraw/zinc/18/50/59/997185059.db2.gz ADPMBGFXDZDDSP-ZUZCIYMTSA-N -1 3 311.403 2.263 20 10 DECDHM O=C([O-])c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC001602308271 1069598772 /nfs/dbraw/zinc/59/87/72/1069598772.db2.gz IIWHNJNWMSNMQJ-LLVKDONJSA-N -1 3 305.309 2.051 20 10 DECDHM C[C@@](CC(=O)[O-])([NH2+]Cc1cc(F)ccc1[O-])c1ccncc1 ZINC001604089729 1070206560 /nfs/dbraw/zinc/20/65/60/1070206560.db2.gz GTVKQEOEECNMRM-INIZCTEOSA-N -1 3 304.321 2.406 20 10 DECDHM Cc1cc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cc(C)n1 ZINC001605660852 1070813817 /nfs/dbraw/zinc/81/38/17/1070813817.db2.gz IZTXHPXGYZUTFQ-LBPRGKRZSA-N -1 3 324.388 2.435 20 10 DECDHM CCc1[nH]c(C[NH2+]Cc2ccc(OC)cc2[O-])cc1C(=O)[O-] ZINC001605774197 1070904226 /nfs/dbraw/zinc/90/42/26/1070904226.db2.gz MIHLXIHGHPLWSR-UHFFFAOYSA-N -1 3 304.346 2.279 20 10 DECDHM COCCOc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001456027696 1057808091 /nfs/dbraw/zinc/80/80/91/1057808091.db2.gz FNIHHWQSVHFHTF-UHFFFAOYSA-N -1 3 319.332 2.487 20 10 DECDHM CCOC(=O)[C@](C)(CNC(=O)c1cccc(O)c1[O-])CC(C)C ZINC001456096859 1057815055 /nfs/dbraw/zinc/81/50/55/1057815055.db2.gz AGWYAKNCJHRSDS-KRWDZBQOSA-N -1 3 323.389 2.443 20 10 DECDHM Cc1ccc(C(=O)Nc2c[nH]nc2Br)c([O-])c1O ZINC001469477481 1059957907 /nfs/dbraw/zinc/95/79/07/1059957907.db2.gz TUSGAZPYVQZKQP-UHFFFAOYSA-N -1 3 312.123 2.144 20 10 DECDHM [O-]c1c(F)cccc1CNCc1cnc(Br)cn1 ZINC001474668201 1060914372 /nfs/dbraw/zinc/91/43/72/1060914372.db2.gz PDRFLSJEVRVHEJ-UHFFFAOYSA-N -1 3 312.142 2.374 20 10 DECDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(Cl)cc1[O-] ZINC001621182417 1078170893 /nfs/dbraw/zinc/17/08/93/1078170893.db2.gz DEASOUASCIRUTR-JTQLQIEISA-N -1 3 305.827 2.301 20 10 DECDHM CCc1c(NC(=O)C2=S=CC([O-])=C2)n[nH]c1-c1ccncc1 ZINC001632476060 1078384166 /nfs/dbraw/zinc/38/41/66/1078384166.db2.gz GKWOOTMHMXOVME-UHFFFAOYSA-N -1 3 314.370 2.136 20 10 DECDHM COC(=O)Cc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001638864350 1078584557 /nfs/dbraw/zinc/58/45/57/1078584557.db2.gz XHEXJSVDHLOUIX-UHFFFAOYSA-N -1 3 317.316 2.177 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ncnc2sccc21 ZINC001638864055 1078584589 /nfs/dbraw/zinc/58/45/89/1078584589.db2.gz SEZKRQMVMVOPLX-UHFFFAOYSA-N -1 3 303.318 2.466 20 10 DECDHM CCOC(=O)c1cn(C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001639496476 1078616411 /nfs/dbraw/zinc/61/64/11/1078616411.db2.gz WONNQVIASMCFOH-UHFFFAOYSA-N -1 3 318.329 2.174 20 10 DECDHM O=C(NCc1ccc(-c2nnco2)cc1)c1cccc(O)c1[O-] ZINC001640091027 1078642127 /nfs/dbraw/zinc/64/21/27/1078642127.db2.gz ABQPXMZYFMAQTE-UHFFFAOYSA-N -1 3 311.297 2.078 20 10 DECDHM Cc1ccc(O)c(CNC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC001641732470 1078726054 /nfs/dbraw/zinc/72/60/54/1078726054.db2.gz CAKVJNLOHVTDRK-UHFFFAOYSA-N -1 3 300.293 2.041 20 10 DECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nn1CC(F)(F)F ZINC001643156037 1078787480 /nfs/dbraw/zinc/78/74/80/1078787480.db2.gz CLRYPRUBHICTPW-UHFFFAOYSA-N -1 3 315.251 2.417 20 10 DECDHM COc1cccc([C@@H](CNC(=O)c2cccc(O)c2[O-])OC)c1 ZINC001167675786 1078799844 /nfs/dbraw/zinc/79/98/44/1078799844.db2.gz WDMJICJSAOPTAO-OAHLLOKOSA-N -1 3 317.341 2.224 20 10 DECDHM Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1c([O-])cccc1F ZINC001646029224 1079081996 /nfs/dbraw/zinc/08/19/96/1079081996.db2.gz RYKMTOLVYLLYMH-UHFFFAOYSA-N -1 3 317.276 2.012 20 10 DECDHM C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1cncs1 ZINC001589952115 1076533363 /nfs/dbraw/zinc/53/33/63/1076533363.db2.gz LIEIOYPEWAWEMY-RKDXNWHRSA-N -1 3 316.390 2.441 20 10 DECDHM CC[C@H]([NH2+]C[C@@H](O)CC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462883 1076631136 /nfs/dbraw/zinc/63/11/36/1076631136.db2.gz GGVJAJIDWNWPNV-FZMZJTMJSA-N -1 3 319.409 2.020 20 10 DECDHM Cc1cncc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001592300191 1076892542 /nfs/dbraw/zinc/89/25/42/1076892542.db2.gz PKEUNPURIARBJO-LLVKDONJSA-N -1 3 310.361 2.127 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc(OC(F)F)cn1 ZINC001596911456 1077084418 /nfs/dbraw/zinc/08/44/18/1077084418.db2.gz GRXIIVHGDODPMI-UHFFFAOYSA-N -1 3 312.247 2.458 20 10 DECDHM Oc1ccccc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001609611565 1077883142 /nfs/dbraw/zinc/88/31/42/1077883142.db2.gz KHXJIHYFRSGECF-UHFFFAOYSA-N -1 3 308.345 2.068 20 10 DECDHM Oc1ccccc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001609611565 1077883145 /nfs/dbraw/zinc/88/31/45/1077883145.db2.gz KHXJIHYFRSGECF-UHFFFAOYSA-N -1 3 308.345 2.068 20 10 DECDHM Cc1cn2cc(CC(=O)NCc3c([O-])cccc3F)nc2s1 ZINC001652298689 1079865311 /nfs/dbraw/zinc/86/53/11/1079865311.db2.gz NFGLZLLZEMYEKZ-UHFFFAOYSA-N -1 3 319.361 2.408 20 10 DECDHM COc1cncc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC001659805264 1080251976 /nfs/dbraw/zinc/25/19/76/1080251976.db2.gz UXGDIQDUONTJCQ-UHFFFAOYSA-N -1 3 305.290 2.325 20 10 DECDHM O=C1Nc2ccccc2C[C@@H]1NCc1ccc(F)c(F)c1[O-] ZINC001660463140 1080335906 /nfs/dbraw/zinc/33/59/06/1080335906.db2.gz SSCCMECJUDXVEK-ZDUSSCGKSA-N -1 3 304.296 2.323 20 10 DECDHM [O-]c1c(CNc2nnc(Cl)nn2)cc(Cl)c2cccnc12 ZINC001168527841 1080545897 /nfs/dbraw/zinc/54/58/97/1080545897.db2.gz NCQTXWFGKNVXSH-UHFFFAOYSA-N -1 3 323.143 2.439 20 10 DECDHM CC(C)NC(=O)N1CCC2(CN(Cc3cccc(F)c3[O-])C2)C1 ZINC001276539870 1083486528 /nfs/dbraw/zinc/48/65/28/1083486528.db2.gz ZSTPPNABKDEBDY-UHFFFAOYSA-N -1 3 321.396 2.157 20 10 DECDHM [O-]c1c(F)cc(Br)cc1CN1CCN2CC[C@@H]2C1 ZINC001235073335 1084298266 /nfs/dbraw/zinc/29/82/66/1084298266.db2.gz ACPNHPCNASJHPU-LLVKDONJSA-N -1 3 315.186 2.184 20 10 DECDHM CC(C)NC(=O)N1CC2(CN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC001275276598 1091648140 /nfs/dbraw/zinc/64/81/40/1091648140.db2.gz MBEJCQOPWHJWFR-UHFFFAOYSA-N -1 3 323.824 2.281 20 10 DECDHM NC(=O)[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078822 1138501038 /nfs/dbraw/zinc/50/10/38/1138501038.db2.gz XHUYTXDCTGTTDV-MRVPVSSYSA-N -1 3 303.189 2.396 20 10 DECDHM COc1ccc(Cc2nnc(-c3ccc(O)c(O)c3[O-])o2)cc1 ZINC001254719873 1143315380 /nfs/dbraw/zinc/31/53/80/1143315380.db2.gz XNZJIVLATQWGFN-UHFFFAOYSA-N -1 3 314.297 2.453 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc(OC(F)F)nc1 ZINC001303876100 1147337324 /nfs/dbraw/zinc/33/73/24/1147337324.db2.gz UUUDDILBAYZMLW-UHFFFAOYSA-N -1 3 312.247 2.458 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccnc(OC)c2)c1 ZINC000273299323 130104983 /nfs/dbraw/zinc/10/49/83/130104983.db2.gz AXJQZRXNKQWAHK-LLVKDONJSA-N -1 3 316.357 2.433 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2cnn(C)c2)c1 ZINC000273550473 130135435 /nfs/dbraw/zinc/13/54/35/130135435.db2.gz FVWAOJHCXNRLQM-WDEREUQCSA-N -1 3 303.362 2.324 20 10 DECDHM CCCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055184647 402077166 /nfs/dbraw/zinc/07/71/66/402077166.db2.gz CLROLGMSHZUZRX-UHFFFAOYSA-N -1 3 314.407 2.074 20 10 DECDHM CCOCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000152296892 402087633 /nfs/dbraw/zinc/08/76/33/402087633.db2.gz ZBRIRAGDGKIZDI-UHFFFAOYSA-N -1 3 301.770 2.057 20 10 DECDHM Cn1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000070976685 402268670 /nfs/dbraw/zinc/26/86/70/402268670.db2.gz PHNVBFSNVGIMOE-MRXNPFEDSA-N -1 3 301.390 2.307 20 10 DECDHM C[C@@]1(c2ccccc2)CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000185844545 402382395 /nfs/dbraw/zinc/38/23/95/402382395.db2.gz KYLCABYHHPGSDV-SFHVURJKSA-N -1 3 313.353 2.486 20 10 DECDHM Cc1ccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c([O-])c1O ZINC000177677601 402425510 /nfs/dbraw/zinc/42/55/10/402425510.db2.gz KXGKKZGEXQHGJS-LBPRGKRZSA-N -1 3 301.346 2.497 20 10 DECDHM COC(=O)C[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000179129675 402574557 /nfs/dbraw/zinc/57/45/57/402574557.db2.gz CZIGMBWFROSUMP-CYBMUJFWSA-N -1 3 309.337 2.261 20 10 DECDHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@@H]1c1ccccc1 ZINC000180014533 402605173 /nfs/dbraw/zinc/60/51/73/402605173.db2.gz UMKXBKULBKQFDT-MRXNPFEDSA-N -1 3 300.333 2.204 20 10 DECDHM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c([O-])c1O ZINC000182606700 402703714 /nfs/dbraw/zinc/70/37/14/402703714.db2.gz ZEQPTTADWROMSR-FZMZJTMJSA-N -1 3 315.373 2.326 20 10 DECDHM CCCOc1ccc(CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000193046395 402762693 /nfs/dbraw/zinc/76/26/93/402762693.db2.gz DNELTHDEJRILAU-UHFFFAOYSA-N -1 3 302.330 2.212 20 10 DECDHM COc1c([O-])c(CN2CCN(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278253343 402862375 /nfs/dbraw/zinc/86/23/75/402862375.db2.gz PMXJKDDSGOGDQA-UHFFFAOYSA-N -1 3 323.393 2.083 20 10 DECDHM CS(=O)(=O)C1(CNCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000279699705 402961263 /nfs/dbraw/zinc/96/12/63/402961263.db2.gz RAVUDRNFYNAMCH-UHFFFAOYSA-N -1 3 324.229 2.366 20 10 DECDHM Cc1ccc(C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c([O-])c1O ZINC000280194648 402973827 /nfs/dbraw/zinc/97/38/27/402973827.db2.gz WBFDLVMLZDRSFH-SNVBAGLBSA-N -1 3 317.345 2.276 20 10 DECDHM CCN(CC)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277595156 403234629 /nfs/dbraw/zinc/23/46/29/403234629.db2.gz STXCNFZCBCSIFX-UHFFFAOYSA-N -1 3 315.211 2.113 20 10 DECDHM CCc1nc(C)c(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])o1 ZINC000292733199 403376182 /nfs/dbraw/zinc/37/61/82/403376182.db2.gz GQEHJVZIDKEEHG-UHFFFAOYSA-N -1 3 321.333 2.458 20 10 DECDHM CCOC(=O)[C@H](F)C1CN(Cc2c([O-])cccc2Cl)C1 ZINC000294023042 403626738 /nfs/dbraw/zinc/62/67/38/403626738.db2.gz VAJRDFOPIBODJS-CYBMUJFWSA-N -1 3 301.745 2.379 20 10 DECDHM CN(Cc1cccc(S(C)(=O)=O)c1)Cc1ccccc1[O-] ZINC000294720295 403726142 /nfs/dbraw/zinc/72/61/42/403726142.db2.gz GAHPNQSSZGEBBB-UHFFFAOYSA-N -1 3 305.399 2.428 20 10 DECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](OCCO)C1 ZINC000295289861 403833186 /nfs/dbraw/zinc/83/31/86/403833186.db2.gz JDVLDEBYPACWMV-LLVKDONJSA-N -1 3 303.761 2.158 20 10 DECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000373329628 227109027 /nfs/dbraw/zinc/10/90/27/227109027.db2.gz ZHQDGSIJSLHJMG-AWEZNQCLSA-N -1 3 312.753 2.301 20 10 DECDHM CC(=O)c1cc(F)cc(CN[C@@H](c2nncn2C)C(C)C)c1[O-] ZINC000285300754 275501913 /nfs/dbraw/zinc/50/19/13/275501913.db2.gz HFXKRAJEDCMBDC-CQSZACIVSA-N -1 3 320.368 2.349 20 10 DECDHM O=C(/C=C/c1cncc([O-])c1)N1CCOc2cc(F)ccc21 ZINC000179507382 331525661 /nfs/dbraw/zinc/52/56/61/331525661.db2.gz UTLIMJNUQCBSJI-DAFODLJHSA-N -1 3 300.289 2.365 20 10 DECDHM CN(Cc1cc(F)ccc1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000180197722 523179877 /nfs/dbraw/zinc/17/98/77/523179877.db2.gz IKLAIDYFPZOGCS-HIFRSBDPSA-N -1 3 315.410 2.319 20 10 DECDHM Cc1cc(Br)cc(CN2C[C@H](F)C[C@H]2CO)c1[O-] ZINC000364842763 526158497 /nfs/dbraw/zinc/15/84/97/526158497.db2.gz JWNMJYYEDVAUCH-NEPJUHHUSA-N -1 3 318.186 2.368 20 10 DECDHM CCN1C(=O)C(=Cc2ccccc2-c2nn[n-]n2)SC1=S ZINC000825444589 607882633 /nfs/dbraw/zinc/88/26/33/607882633.db2.gz OSGZHMXEUCRTOD-JXMROGBWSA-N -1 3 317.399 2.088 20 10 DECDHM CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000320436037 600942206 /nfs/dbraw/zinc/94/22/06/600942206.db2.gz HWAWNIKWKOJPIC-FWPCIQOSSA-N -1 3 319.361 2.223 20 10 DECDHM CCN1C(=O)C(=Cc2ccccc2-c2nnn[n-]2)SC1=S ZINC000825444589 607882632 /nfs/dbraw/zinc/88/26/32/607882632.db2.gz OSGZHMXEUCRTOD-JXMROGBWSA-N -1 3 317.399 2.088 20 10 DECDHM Cc1cc([O-])c(CN2CCN(c3cnn(C)c3)CC2)c(Cl)c1 ZINC000840914603 625625697 /nfs/dbraw/zinc/62/56/97/625625697.db2.gz DBELHEXLABUNHE-UHFFFAOYSA-N -1 3 320.824 2.410 20 10 DECDHM CN(Cc1cc(Cl)ccc1[O-])CC(C)(C)S(C)(=O)=O ZINC000093772571 634421549 /nfs/dbraw/zinc/42/15/49/634421549.db2.gz VFKNYOAYKQZGSW-UHFFFAOYSA-N -1 3 305.827 2.301 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3C)c([O-])c1O ZINC000194704133 625737257 /nfs/dbraw/zinc/73/72/57/625737257.db2.gz CYKAAOAWKNLYBM-UHFFFAOYSA-N -1 3 312.325 2.177 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCCn2ccnc21 ZINC000921569883 633724026 /nfs/dbraw/zinc/72/40/26/633724026.db2.gz CDFFACLGLZSLJU-LLVKDONJSA-N -1 3 318.352 2.105 20 10 DECDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000093559761 634150327 /nfs/dbraw/zinc/15/03/27/634150327.db2.gz AJRFQFAGZWNNIY-UWVGGRQHSA-N -1 3 303.811 2.053 20 10 DECDHM CC(=O)N1CCc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC000186829032 636571555 /nfs/dbraw/zinc/57/15/55/636571555.db2.gz KOUHGASHUCVVDB-UHFFFAOYSA-N -1 3 312.325 2.259 20 10 DECDHM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(O)c1[O-] ZINC000186833883 636572597 /nfs/dbraw/zinc/57/25/97/636572597.db2.gz WPQXLAKJRHSWSR-UHFFFAOYSA-N -1 3 312.325 2.242 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCN(CC(C)C)C(=O)C2)c1[O-] ZINC000187100687 636993600 /nfs/dbraw/zinc/99/36/00/636993600.db2.gz WSEYVXSGDPJNMQ-UHFFFAOYSA-N -1 3 322.380 2.034 20 10 DECDHM C[C@H](O)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894430634 637034478 /nfs/dbraw/zinc/03/44/78/637034478.db2.gz HOWNZENIYVRVSF-DTWKUNHWSA-N -1 3 318.186 2.497 20 10 DECDHM O=C1CCCN1c1cnc(NCc2c([O-])cccc2F)cn1 ZINC000895833396 638225403 /nfs/dbraw/zinc/22/54/03/638225403.db2.gz WMIFBUNUFQGCAV-UHFFFAOYSA-N -1 3 302.309 2.060 20 10 DECDHM CC(C)(C)N1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1=O ZINC000928712170 639490673 /nfs/dbraw/zinc/49/06/73/639490673.db2.gz ZURUSNPDBLUYRK-NSHDSACASA-N -1 3 322.380 2.185 20 10 DECDHM CN(CC(=O)NCc1ccco1)Cc1c([O-])cccc1Cl ZINC000768196383 641059364 /nfs/dbraw/zinc/05/93/64/641059364.db2.gz PXKKAJQFTMLVKC-UHFFFAOYSA-N -1 3 308.765 2.387 20 10 DECDHM CC(=O)[N-]OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000842026239 650630095 /nfs/dbraw/zinc/63/00/95/650630095.db2.gz LBQINUIVJXCCST-UHFFFAOYSA-N -1 3 321.764 2.393 20 10 DECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H](OCCO)C1 ZINC000775689114 642080155 /nfs/dbraw/zinc/08/01/55/642080155.db2.gz ZWFBCOHXFPGDAF-LBPRGKRZSA-N -1 3 303.761 2.158 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783746844 643046283 /nfs/dbraw/zinc/04/62/83/643046283.db2.gz YPFPHTKNKCJVEC-RISCZKNCSA-N -1 3 312.207 2.277 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2csc(N)n2)c1 ZINC000902497837 643053167 /nfs/dbraw/zinc/05/31/67/643053167.db2.gz ABDOOAGDIJABEV-QMMMGPOBSA-N -1 3 307.375 2.068 20 10 DECDHM O=C(NCCNc1ccc2ccccc2n1)c1cccc(O)c1[O-] ZINC000790747153 643888481 /nfs/dbraw/zinc/88/84/81/643888481.db2.gz VPQPJDGQGVJTJV-UHFFFAOYSA-N -1 3 323.352 2.488 20 10 DECDHM C[C@H](O)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000790772742 643892293 /nfs/dbraw/zinc/89/22/93/643892293.db2.gz IAZLPJCSGWJRFH-LBPRGKRZSA-N -1 3 301.342 2.121 20 10 DECDHM NC(=O)NC(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000801734336 645435957 /nfs/dbraw/zinc/43/59/57/645435957.db2.gz ABVOJBXQOBVVEM-UHFFFAOYSA-N -1 3 319.748 2.466 20 10 DECDHM NC(=O)C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000815154083 646980611 /nfs/dbraw/zinc/98/06/11/646980611.db2.gz AMKMDSQKHDMYOM-AWEZNQCLSA-N -1 3 315.329 2.007 20 10 DECDHM CC[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1SC)OC ZINC000817356083 647274153 /nfs/dbraw/zinc/27/41/53/647274153.db2.gz DHYQLUHPMPOFCU-SNVBAGLBSA-N -1 3 305.421 2.281 20 10 DECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCOC1 ZINC000732202875 647549474 /nfs/dbraw/zinc/54/94/74/647549474.db2.gz HLKOFYKGKYQAJC-LLVKDONJSA-N -1 3 313.781 2.057 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](n3ccnn3)C2)c1[O-] ZINC000823468092 648427681 /nfs/dbraw/zinc/42/76/81/648427681.db2.gz BQPMPQNDDWBSGP-CQSZACIVSA-N -1 3 318.352 2.163 20 10 DECDHM CO[C@@]1(CO)CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826952901 648952267 /nfs/dbraw/zinc/95/22/67/648952267.db2.gz WPOYFKXUKAEUDJ-AWEZNQCLSA-N -1 3 303.761 2.158 20 10 DECDHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(O)c1[O-] ZINC000830701609 649483016 /nfs/dbraw/zinc/48/30/16/649483016.db2.gz WFMXPCIYMZWEGT-KWQFWETISA-N -1 3 319.279 2.328 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000185873741 649653965 /nfs/dbraw/zinc/65/39/65/649653965.db2.gz MCSZGWTYNPSMHS-LKFCYVNXSA-N -1 3 305.305 2.089 20 10 DECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](CC(F)(F)F)O1 ZINC000856362242 651907877 /nfs/dbraw/zinc/90/78/77/651907877.db2.gz HLYNRSAPMINIGB-IUCAKERBSA-N -1 3 319.279 2.280 20 10 DECDHM C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1CO ZINC000857061080 652043159 /nfs/dbraw/zinc/04/31/59/652043159.db2.gz JKISHQPGNKVEGE-MWLCHTKSSA-N -1 3 314.769 2.404 20 10 DECDHM O=C(NCc1c(O)ccc2c1CCCC2)c1cccc2n[n-]nc21 ZINC000188555949 684358670 /nfs/dbraw/zinc/35/86/70/684358670.db2.gz IHLJYVRKPKTJTQ-UHFFFAOYSA-N -1 3 322.368 2.472 20 10 DECDHM O=C(NCc1ccc(Cn2cccn2)cc1)c1cccc(O)c1[O-] ZINC000192975176 684461917 /nfs/dbraw/zinc/46/19/17/684461917.db2.gz MPGMPUUGHSCZMA-UHFFFAOYSA-N -1 3 323.352 2.273 20 10 DECDHM CCCCN(Cc1ccccc1O)C(=O)c1cc(=O)[n-]cn1 ZINC000861562450 686145825 /nfs/dbraw/zinc/14/58/25/686145825.db2.gz XYSCWFVMLWHGRB-UHFFFAOYSA-N -1 3 301.346 2.330 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCSC[C@@H]1CO ZINC000877779190 690225096 /nfs/dbraw/zinc/22/50/96/690225096.db2.gz ALNDKBDBNRKXMM-NSHDSACASA-N -1 3 318.236 2.064 20 10 DECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCc2nc[nH]c2C1 ZINC000894953387 692992884 /nfs/dbraw/zinc/99/28/84/692992884.db2.gz FGZPVRUFXZBRKR-SNVBAGLBSA-N -1 3 320.780 2.125 20 10 DECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCc2[nH]cnc2C1 ZINC000894953387 692992888 /nfs/dbraw/zinc/99/28/88/692992888.db2.gz FGZPVRUFXZBRKR-SNVBAGLBSA-N -1 3 320.780 2.125 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CC2(CCC2)CO1 ZINC000924043721 693084143 /nfs/dbraw/zinc/08/41/43/693084143.db2.gz VBNPIVYVQYPFCK-NSHDSACASA-N -1 3 308.353 2.290 20 10 DECDHM COCC[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccnc1 ZINC001347562779 1151079206 /nfs/dbraw/zinc/07/92/06/1151079206.db2.gz KQKLHFSFAPGITJ-CYBMUJFWSA-N -1 3 302.330 2.000 20 10 DECDHM C[C@]1(CO)CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298348 790846331 /nfs/dbraw/zinc/84/63/31/790846331.db2.gz CDOKUCVKDWWTTK-ZDUSSCGKSA-N -1 3 318.186 2.498 20 10 DECDHM O=C(NC[C@H]1CCCC(F)(F)C1)c1cc(O)c([O-])c(O)c1 ZINC001148591251 791779662 /nfs/dbraw/zinc/77/96/62/791779662.db2.gz VZFZQWLYRYTELA-QMMMGPOBSA-N -1 3 301.289 2.359 20 10 DECDHM C[C@H](COc1ccccc1F)NC(=O)c1cccc(O)c1[O-] ZINC001116849700 794992889 /nfs/dbraw/zinc/99/28/89/794992889.db2.gz WTIKAOMPYOFXAH-SNVBAGLBSA-N -1 3 305.305 2.434 20 10 DECDHM COC[C@@H]1Cn2nccc2CN(Cc2c([O-])cccc2F)C1 ZINC001137835761 796144049 /nfs/dbraw/zinc/14/40/49/796144049.db2.gz MYCBYZASQFFIPG-LBPRGKRZSA-N -1 3 305.353 2.006 20 10 DECDHM COc1ccc(N2CCN(Cc3ncccc3[O-])CC2)c(C)c1 ZINC001138395759 796214139 /nfs/dbraw/zinc/21/41/39/796214139.db2.gz CEGSMQVSTWISBW-UHFFFAOYSA-N -1 3 313.401 2.426 20 10 DECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@]12CCOC2 ZINC001139133800 796332412 /nfs/dbraw/zinc/33/24/12/796332412.db2.gz QUDLXZRSWTXWLK-QGZVFWFLSA-N -1 3 301.342 2.172 20 10 DECDHM C[C@@]1(O)CCN(Cc2cc(Br)ccc2[O-])C[C@@H]1F ZINC001203636024 796391045 /nfs/dbraw/zinc/39/10/45/796391045.db2.gz NFRSHLNNSKKCAJ-QWHCGFSZSA-N -1 3 318.186 2.450 20 10 DECDHM [O-]c1c(F)ccc(F)c1CN1CCC(N2CC(F)C2)CC1 ZINC001139683285 796409729 /nfs/dbraw/zinc/40/97/29/796409729.db2.gz KGIAXFORFAURGU-UHFFFAOYSA-N -1 3 300.324 2.289 20 10 DECDHM COCCCCN1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139690573 796411256 /nfs/dbraw/zinc/41/12/56/796411256.db2.gz YEVFMMCLDAJOPK-UHFFFAOYSA-N -1 3 314.376 2.215 20 10 DECDHM [O-]c1cccc(Cl)c1CN1CCN(c2ccncn2)CC1 ZINC001140341697 796509663 /nfs/dbraw/zinc/50/96/63/796509663.db2.gz CUOWYFOKOYHZMD-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM CCOC(=O)[C@H]1C(=O)CCCN1Cc1cc(Cl)ccc1[O-] ZINC001203658376 796511652 /nfs/dbraw/zinc/51/16/52/796511652.db2.gz SSFOIZDKUIDBMO-CQSZACIVSA-N -1 3 311.765 2.142 20 10 DECDHM [O-]c1cc(Cl)ccc1CN1CCN(c2cccnn2)CC1 ZINC001140466441 796526406 /nfs/dbraw/zinc/52/64/06/796526406.db2.gz FWPGMBRUFKTDER-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc(O)cc1O ZINC001189780266 796883556 /nfs/dbraw/zinc/88/35/56/796883556.db2.gz GJCLNZUNZOOOMV-UHFFFAOYSA-N -1 3 315.297 2.318 20 10 DECDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(O)cc2)ccc1O ZINC001195795673 797963589 /nfs/dbraw/zinc/96/35/89/797963589.db2.gz GGQOFDBWEYDCLF-UHFFFAOYSA-N -1 3 307.327 2.101 20 10 DECDHM CN(c1ccc(F)cc1[O-])S(=O)(=O)CCc1ccc(N)cc1 ZINC001210016941 801323172 /nfs/dbraw/zinc/32/31/72/801323172.db2.gz QCIPEMXVYPAESC-UHFFFAOYSA-N -1 3 324.377 2.122 20 10 DECDHM O=C([O-])c1ccc(C[NH+]2CCC(c3ncccn3)CC2)c([O-])c1 ZINC001231452444 801669111 /nfs/dbraw/zinc/66/91/11/801669111.db2.gz PJGMNFIKYAPJJS-UHFFFAOYSA-N -1 3 313.357 2.260 20 10 DECDHM CCOC(=O)C1(C)CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231452228 801669247 /nfs/dbraw/zinc/66/92/47/801669247.db2.gz HVKKKNIWQSQIRN-UHFFFAOYSA-N -1 3 321.373 2.256 20 10 DECDHM Cc1cc([O-])c(CN2CCO[C@@H]3C[C@@H](CO)C[C@H]32)cc1Cl ZINC001231866764 801739796 /nfs/dbraw/zinc/73/97/96/801739796.db2.gz DGIMWNCNJIYHDB-SGIREYDYSA-N -1 3 311.809 2.326 20 10 DECDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](Oc2ncccn2)C1 ZINC001233336278 802080527 /nfs/dbraw/zinc/08/05/27/802080527.db2.gz GGPBILOKDLZZGA-JTQLQIEISA-N -1 3 307.300 2.114 20 10 DECDHM COC(=O)[C@]1(F)CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451870 802121374 /nfs/dbraw/zinc/12/13/74/802121374.db2.gz CEPRMHHPQXFKMC-ZDUSSCGKSA-N -1 3 321.270 2.498 20 10 DECDHM O=C1c2cccc(O[C@H]3C[C@@H](O)C3)c2C(=O)c2cccc([O-])c21 ZINC001218417911 802180118 /nfs/dbraw/zinc/18/01/18/802180118.db2.gz RIIXXPOWWYMSNR-AOOOYVTPSA-N -1 3 310.305 2.070 20 10 DECDHM O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236439009 960602236 /nfs/dbraw/zinc/60/22/36/960602236.db2.gz IWSOTPPQBFVKKP-LBPRGKRZSA-N -1 3 307.243 2.370 20 10 DECDHM O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236439009 960602241 /nfs/dbraw/zinc/60/22/41/960602241.db2.gz IWSOTPPQBFVKKP-LBPRGKRZSA-N -1 3 307.243 2.370 20 10 DECDHM C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1[O-] ZINC001599902134 984856063 /nfs/dbraw/zinc/85/60/63/984856063.db2.gz MBSICMNRIOJILC-NSHDSACASA-N -1 3 314.341 2.380 20 10 DECDHM C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272927 994616337 /nfs/dbraw/zinc/61/63/37/994616337.db2.gz VCNVKKUWUHRAOT-PELKAZGASA-N -1 3 301.289 2.165 20 10 DECDHM COc1cccc(C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])c1 ZINC001599670079 994794722 /nfs/dbraw/zinc/79/47/22/994794722.db2.gz NLBQHZNRWNGQQB-OAHLLOKOSA-N -1 3 319.332 2.325 20 10 DECDHM COc1cccc([O-])c1C[NH2+]Cc1ccccc1CC(=O)[O-] ZINC001599680307 994969344 /nfs/dbraw/zinc/96/93/44/994969344.db2.gz KVNPZSPZITYZIL-UHFFFAOYSA-N -1 3 301.342 2.318 20 10 DECDHM COC1([C@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1 ZINC001599084039 997062307 /nfs/dbraw/zinc/06/23/07/997062307.db2.gz OQLDVUAUCQUZOL-RYUDHWBXSA-N -1 3 323.389 2.325 20 10 DECDHM C[C@H]([NH2+][C@@H]1CCCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603659302 1070026728 /nfs/dbraw/zinc/02/67/28/1070026728.db2.gz ZXUAUHDMUXHQFO-VHSXEESVSA-N -1 3 305.407 2.119 20 10 DECDHM C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603697349 1070049644 /nfs/dbraw/zinc/04/96/44/1070049644.db2.gz YJACPSJDHCWSJZ-MNOVXSKESA-N -1 3 319.409 2.020 20 10 DECDHM CCC[C@](C)(O)C[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604127746 1070233708 /nfs/dbraw/zinc/23/37/08/1070233708.db2.gz FNSLFNREGQQICC-CJNGLKHVSA-N -1 3 319.409 2.164 20 10 DECDHM C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604243816 1070293624 /nfs/dbraw/zinc/29/36/24/1070293624.db2.gz SHZWJSDYOKVNSX-MNOVXSKESA-N -1 3 303.362 2.106 20 10 DECDHM COCC(C)(C)CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605043653 1070592901 /nfs/dbraw/zinc/59/29/01/1070592901.db2.gz ADKWOPVUIYRVHQ-LLVKDONJSA-N -1 3 319.409 2.286 20 10 DECDHM COc1ccc(CNc2cccc(F)c2-c2nnn[n-]2)c(O)c1 ZINC001605285747 1070672128 /nfs/dbraw/zinc/67/21/28/1070672128.db2.gz OAGFULGQEPEYDS-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM COc1ccc(CNc2cccc(F)c2-c2nn[n-]n2)c(O)c1 ZINC001605285747 1070672132 /nfs/dbraw/zinc/67/21/32/1070672132.db2.gz OAGFULGQEPEYDS-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM c1csc(SCCOc2ccccc2-c2nnn[n-]2)n1 ZINC001607129130 1071328722 /nfs/dbraw/zinc/32/87/22/1071328722.db2.gz WQOALSCKICYNFK-UHFFFAOYSA-N -1 3 305.388 2.494 20 10 DECDHM c1csc(SCCOc2ccccc2-c2nn[n-]n2)n1 ZINC001607129130 1071328738 /nfs/dbraw/zinc/32/87/38/1071328738.db2.gz WQOALSCKICYNFK-UHFFFAOYSA-N -1 3 305.388 2.494 20 10 DECDHM COC(=O)c1ccnc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001476396625 1061086822 /nfs/dbraw/zinc/08/68/22/1061086822.db2.gz DQWXACZUAISOTI-UHFFFAOYSA-N -1 3 319.292 2.035 20 10 DECDHM O=C([O-])C1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC001610725694 1078067793 /nfs/dbraw/zinc/06/77/93/1078067793.db2.gz FFEZALLHMRMNNL-CQSZACIVSA-N -1 3 305.374 2.238 20 10 DECDHM O=C([O-])C1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC001610725694 1078067798 /nfs/dbraw/zinc/06/77/98/1078067798.db2.gz FFEZALLHMRMNNL-CQSZACIVSA-N -1 3 305.374 2.238 20 10 DECDHM Cn1ncc2c1nc(NCc1cc(Cl)ccc1[O-])[nH]c2=O ZINC001612580801 1078112133 /nfs/dbraw/zinc/11/21/33/1078112133.db2.gz UPZGFNRJTGHKDZ-UHFFFAOYSA-N -1 3 305.725 2.040 20 10 DECDHM CN(Cc1cccc(C(N)=O)c1)Cc1ccc(F)c(F)c1[O-] ZINC001621171076 1078170655 /nfs/dbraw/zinc/17/06/55/1078170655.db2.gz JOMVFXBIGCOIJZ-UHFFFAOYSA-N -1 3 306.312 2.401 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(-n3cnnc3)cc2)c([O-])c1O ZINC001625077266 1078237666 /nfs/dbraw/zinc/23/76/66/1078237666.db2.gz UNIXNPKKBLCTBN-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM C[C@@H]1[C@H](CO)CCN1Cc1cc(F)cc(Br)c1[O-] ZINC001235293612 1079010914 /nfs/dbraw/zinc/01/09/14/1079010914.db2.gz AAPWQVWARABKMQ-BDAKNGLRSA-N -1 3 318.186 2.497 20 10 DECDHM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(=O)[n-]cn1 ZINC001587552359 1076421236 /nfs/dbraw/zinc/42/12/36/1076421236.db2.gz QDNSMUXBIJPJFZ-UHFFFAOYSA-N -1 3 312.373 2.055 20 10 DECDHM C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961166 1076536748 /nfs/dbraw/zinc/53/67/48/1076536748.db2.gz BQLLWDYAQBPRLD-GHMZBOCLSA-N -1 3 317.393 2.181 20 10 DECDHM CC[C@@H]([NH2+]CC(C)(C)OC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462850 1076631116 /nfs/dbraw/zinc/63/11/16/1076631116.db2.gz GANVBQNKQZPJGV-GFCCVEGCSA-N -1 3 305.382 2.038 20 10 DECDHM C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780171 1077922626 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CC(C)(C)OC(=O)N1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000846530549 651335725 /nfs/dbraw/zinc/33/57/25/651335725.db2.gz AJNGKMPJRDUOFT-UHFFFAOYSA-N -1 3 322.361 2.486 20 10 DECDHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709416 693831163 /nfs/dbraw/zinc/83/11/63/693831163.db2.gz FCQKZTNXVZPVIB-BJOHPYRUSA-N -1 3 303.337 2.237 20 10 DECDHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928712591 693832104 /nfs/dbraw/zinc/83/21/04/693832104.db2.gz UCDNMLPQZCMOBF-ZDUSSCGKSA-N -1 3 322.380 2.185 20 10 DECDHM [O-]c1cccc(Br)c1CN1CCc2c[nH]nc2C1 ZINC000862246824 686264479 /nfs/dbraw/zinc/26/44/79/686264479.db2.gz DCVLMVYRSFEBJQ-UHFFFAOYSA-N -1 3 308.179 2.436 20 10 DECDHM CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000862301303 686275410 /nfs/dbraw/zinc/27/54/10/686275410.db2.gz DZQRYHIZSHWMIJ-QGZVFWFLSA-N -1 3 321.373 2.434 20 10 DECDHM COC(=O)[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000862955344 686411845 /nfs/dbraw/zinc/41/18/45/686411845.db2.gz QDUOGFPPLIGURT-ZDUSSCGKSA-N -1 3 321.373 2.197 20 10 DECDHM C[S@](=N)(=O)N1CCN(Cc2ccc3ccccc3c2[O-])CC1 ZINC000877790371 690231483 /nfs/dbraw/zinc/23/14/83/690231483.db2.gz TUWNOVDDJKHBEA-JOCHJYFZSA-N -1 3 319.430 2.255 20 10 DECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)c1 ZINC000880223179 690842491 /nfs/dbraw/zinc/84/24/91/690842491.db2.gz WGAVTRDTAFXYAP-WOVMCDHWSA-N -1 3 314.341 2.440 20 10 DECDHM C[C@@H]1CN(C2CN(Cc3ccc(Cl)cc3[O-])C2)C[C@@H](C)O1 ZINC001140468381 777201343 /nfs/dbraw/zinc/20/13/43/777201343.db2.gz ISXMOIBGFAJEIF-VXGBXAGGSA-N -1 3 310.825 2.339 20 10 DECDHM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H](CO)C1 ZINC001144300049 790848895 /nfs/dbraw/zinc/84/88/95/790848895.db2.gz PYRXRBBRSULLJE-MRVPVSSYSA-N -1 3 304.159 2.108 20 10 DECDHM C[C@H]1CN(Cc2cc(Br)c(F)cc2[O-])CC[C@@H]1O ZINC001144298959 790848058 /nfs/dbraw/zinc/84/80/58/790848058.db2.gz MRNGUPNSIFSCKV-UFBFGSQYSA-N -1 3 318.186 2.497 20 10 DECDHM CCN1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144299477 790848346 /nfs/dbraw/zinc/84/83/46/790848346.db2.gz XWJPZPZCGIVXLN-UHFFFAOYSA-N -1 3 317.202 2.431 20 10 DECDHM O=C(NCc1ccc(-c2c[nH]cn2)cc1)c1cccc(O)c1[O-] ZINC001148225242 791714332 /nfs/dbraw/zinc/71/43/32/791714332.db2.gz HHBBOJSDLZLJIQ-UHFFFAOYSA-N -1 3 309.325 2.418 20 10 DECDHM COC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC001148224774 791714606 /nfs/dbraw/zinc/71/46/06/791714606.db2.gz UXKGUSDYFUUUHS-ZDUSSCGKSA-N -1 3 321.373 2.340 20 10 DECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@H]1Cc1ccccn1 ZINC001148584012 791777405 /nfs/dbraw/zinc/77/74/05/791777405.db2.gz KQHAUXXREYJZAU-CYBMUJFWSA-N -1 3 314.341 2.046 20 10 DECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@@H]1c1ccccn1 ZINC001148587782 791778313 /nfs/dbraw/zinc/77/83/13/791778313.db2.gz MCXBHSKCKJGIJN-GFCCVEGCSA-N -1 3 300.314 2.176 20 10 DECDHM O=C(Cc1ccc2c(c1)COC2)NCc1c([O-])cccc1F ZINC001178412612 794921552 /nfs/dbraw/zinc/92/15/52/794921552.db2.gz BNFWEDAMVRZCFU-UHFFFAOYSA-N -1 3 301.317 2.420 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116863435 794994305 /nfs/dbraw/zinc/99/43/05/794994305.db2.gz AKWUQBXVOGPLFA-UHFFFAOYSA-N -1 3 300.270 2.162 20 10 DECDHM CCOC[C@@H]1CN(Cc2cccc(F)c2[O-])Cc2cn(C)nc21 ZINC001138125733 796167403 /nfs/dbraw/zinc/16/74/03/796167403.db2.gz WUURIIZUEIJZDJ-AWEZNQCLSA-N -1 3 319.380 2.401 20 10 DECDHM COC[C@@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC001203650443 796468569 /nfs/dbraw/zinc/46/85/69/796468569.db2.gz SYBIMWRWAKLYFY-GFCCVEGCSA-N -1 3 316.195 2.002 20 10 DECDHM Cn1cc(-c2ncccc2NC(=O)c2cccc(O)c2[O-])cn1 ZINC001141784796 796690747 /nfs/dbraw/zinc/69/07/47/796690747.db2.gz QVJLTXSLJCBMPL-UHFFFAOYSA-N -1 3 310.313 2.146 20 10 DECDHM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ccc(O)cc1O ZINC001189644295 796855704 /nfs/dbraw/zinc/85/57/04/796855704.db2.gz SRWMRHCOLIJMHT-UHFFFAOYSA-N -1 3 315.297 2.318 20 10 DECDHM COC(=O)CCCCS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC001196955274 798130901 /nfs/dbraw/zinc/13/09/01/798130901.db2.gz XDRZWDAPHJFNLE-UHFFFAOYSA-N -1 3 321.782 2.131 20 10 DECDHM COCNC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001198855627 798405550 /nfs/dbraw/zinc/40/55/50/798405550.db2.gz WQKMSAGBYFGIHQ-UHFFFAOYSA-N -1 3 311.794 2.162 20 10 DECDHM COc1ccc(CN2CCC(F)(F)[C@@H](N)C2)c([O-])c1Cl ZINC001206684447 800574807 /nfs/dbraw/zinc/57/48/07/800574807.db2.gz RXPKRFXPSJIZBS-JTQLQIEISA-N -1 3 306.740 2.223 20 10 DECDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H](COCC3CC3)C2)c1 ZINC001231566049 801687798 /nfs/dbraw/zinc/68/77/98/801687798.db2.gz OLRHTWIQFGHBLG-ZDUSSCGKSA-N -1 3 305.374 2.339 20 10 DECDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H](COCC3CC3)C2)c1 ZINC001231566049 801687801 /nfs/dbraw/zinc/68/78/01/801687801.db2.gz OLRHTWIQFGHBLG-ZDUSSCGKSA-N -1 3 305.374 2.339 20 10 DECDHM CCN1C[C@@H](C)N(Cc2cc(Cl)c(OC)cc2[O-])CC1=O ZINC001232268551 801833040 /nfs/dbraw/zinc/83/30/40/801833040.db2.gz OYOSNNRBWANZMG-SNVBAGLBSA-N -1 3 312.797 2.107 20 10 DECDHM COc1cc([O-])c(CN2CC3(C2)CCN(C(C)=O)C3)cc1Cl ZINC001232264934 801833470 /nfs/dbraw/zinc/83/34/70/801833470.db2.gz OPTCMPHSYAYVSW-UHFFFAOYSA-N -1 3 324.808 2.108 20 10 DECDHM COc1cc([O-])c(CN2CCc3c(ncn3C)C2)cc1Cl ZINC001232269345 801835796 /nfs/dbraw/zinc/83/57/96/801835796.db2.gz WKTRCRPSMYCXHX-UHFFFAOYSA-N -1 3 307.781 2.346 20 10 DECDHM CN1C(=O)CCC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233336273 802080457 /nfs/dbraw/zinc/08/04/57/802080457.db2.gz GAWUFRHPFUONNB-UHFFFAOYSA-N -1 3 310.344 2.257 20 10 DECDHM CS(=O)(=O)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233453973 802121240 /nfs/dbraw/zinc/12/12/40/802121240.db2.gz AZBKHEMNVFGCHM-NSHDSACASA-N -1 3 323.336 2.030 20 10 DECDHM CN(C)c1ccc(CN(C)Cc2ccc(C(=O)[O-])n2C)cc1 ZINC001598519015 992655675 /nfs/dbraw/zinc/65/56/75/992655675.db2.gz CYZGMFUQGDLLKZ-UHFFFAOYSA-N -1 3 301.390 2.421 20 10 DECDHM COc1cccc(C[C@H]([NH2+]Cc2ccccc2[O-])C(=O)[O-])c1 ZINC001599670240 994798556 /nfs/dbraw/zinc/79/85/56/994798556.db2.gz SLVMEWQWRTZKDJ-HNNXBMFYSA-N -1 3 301.342 2.186 20 10 DECDHM COC1([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1 ZINC001599084037 997062739 /nfs/dbraw/zinc/06/27/39/997062739.db2.gz OQLDVUAUCQUZOL-NWDGAFQWSA-N -1 3 323.389 2.325 20 10 DECDHM CC(C)(C(=O)[O-])[NH+]1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001603266539 1069926839 /nfs/dbraw/zinc/92/68/39/1069926839.db2.gz PMUCTFBCNVDTSE-UHFFFAOYSA-N -1 3 312.797 2.026 20 10 DECDHM C[C@H]([NH2+]CCCC(C)(C)CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603662182 1070029094 /nfs/dbraw/zinc/02/90/94/1070029094.db2.gz GZSVMCPFAMNPIB-NSHDSACASA-N -1 3 319.409 2.022 20 10 DECDHM C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329129 1070329583 /nfs/dbraw/zinc/32/95/83/1070329583.db2.gz IDYMQZVEMAMSPD-GMXVVIOVSA-N -1 3 304.390 2.366 20 10 DECDHM COc1ccc(NCc2cc(F)ccc2O)cc1-c1nnn[n-]1 ZINC001605301408 1070676453 /nfs/dbraw/zinc/67/64/53/1070676453.db2.gz WDYFENBUJYNPMN-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM COc1ccc(NCc2cc(F)ccc2O)cc1-c1nn[n-]n1 ZINC001605301408 1070676455 /nfs/dbraw/zinc/67/64/55/1070676455.db2.gz WDYFENBUJYNPMN-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1-c1nnn[n-]1 ZINC001605821608 1070929643 /nfs/dbraw/zinc/92/96/43/1070929643.db2.gz UEWMSWCXTIHHAW-NSHDSACASA-N -1 3 323.356 2.372 20 10 DECDHM Cc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1-c1nn[n-]n1 ZINC001605821608 1070929660 /nfs/dbraw/zinc/92/96/60/1070929660.db2.gz UEWMSWCXTIHHAW-NSHDSACASA-N -1 3 323.356 2.372 20 10 DECDHM COc1ccc(N2CC[C@H](NCc3cc(C(=O)[O-])co3)C2)cc1 ZINC001607269023 1071388635 /nfs/dbraw/zinc/38/86/35/1071388635.db2.gz BNNQEOXUAUQILK-ZDUSSCGKSA-N -1 3 316.357 2.355 20 10 DECDHM COC1(OC)CCOC[C@H]1NCc1c([O-])ccc(Cl)c1F ZINC001461727795 1058702239 /nfs/dbraw/zinc/70/22/39/1058702239.db2.gz IJTROIMIAXAINL-GFCCVEGCSA-N -1 3 319.760 2.052 20 10 DECDHM CCOC(=O)[C@@H](C[C@H](C)CC)NC(=O)c1cccc(O)c1[O-] ZINC001471889937 1060334322 /nfs/dbraw/zinc/33/43/22/1060334322.db2.gz IRZAQGMLGRRMII-ZYHUDNBSSA-N -1 3 309.362 2.196 20 10 DECDHM CS(=O)(=O)C[C@H]1CCCCN1Cc1ccc(Cl)cc1[O-] ZINC001474523820 1060887636 /nfs/dbraw/zinc/88/76/36/1060887636.db2.gz JKRFBSSTNYDBJQ-CYBMUJFWSA-N -1 3 317.838 2.445 20 10 DECDHM O=S(=O)(Cc1ccccc1F)NCc1c([O-])cccc1F ZINC001622593230 1078191540 /nfs/dbraw/zinc/19/15/40/1078191540.db2.gz XWNXDHJPZIWNAK-UHFFFAOYSA-N -1 3 313.325 2.290 20 10 DECDHM O=C(Nc1cccc2c1OCC[C@@H]2O)c1cccc(O)c1[O-] ZINC001556126947 1075019787 /nfs/dbraw/zinc/01/97/87/1075019787.db2.gz GGRFXQNKNLLWFK-LBPRGKRZSA-N -1 3 301.298 2.166 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@H]1COc2ccccc2C1 ZINC001558455768 1075094584 /nfs/dbraw/zinc/09/45/84/1075094584.db2.gz QRQHTJGNAAFNQZ-GFCCVEGCSA-N -1 3 301.317 2.399 20 10 DECDHM Cn1cc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)cn1 ZINC001560692457 1075144532 /nfs/dbraw/zinc/14/45/32/1075144532.db2.gz VDCRTGFBJLLDSQ-UHFFFAOYSA-N -1 3 306.797 2.101 20 10 DECDHM COC(=O)Cc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001566248065 1075238364 /nfs/dbraw/zinc/23/83/64/1075238364.db2.gz DHZFQKDUCFYJQP-UHFFFAOYSA-N -1 3 301.298 2.066 20 10 DECDHM CC[C@@H]([NH2+]CCc1ccoc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470627 1076635273 /nfs/dbraw/zinc/63/52/73/1076635273.db2.gz ROZPKRZDJRSSAD-CQSZACIVSA-N -1 3 313.361 2.449 20 10 DECDHM CO[C@](C)(C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C1CC1 ZINC001591317591 1076720840 /nfs/dbraw/zinc/72/08/40/1076720840.db2.gz GNVVPXVCXUVMAA-QLJPJBMISA-N -1 3 317.393 2.038 20 10 DECDHM C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778174 1077921333 /nfs/dbraw/zinc/92/13/33/1077921333.db2.gz NFDJYZQCONYIPM-SKDRFNHKSA-N -1 3 301.346 2.022 20 10 DECDHM CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001610018750 1077968746 /nfs/dbraw/zinc/96/87/46/1077968746.db2.gz OHIOLMIFLQWTDG-RTXFEEFZSA-N -1 3 321.373 2.473 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CCOC2(CCOCC2)CC1 ZINC001664414431 1080906729 /nfs/dbraw/zinc/90/67/29/1080906729.db2.gz LAVWVDNILSSGAQ-UHFFFAOYSA-N -1 3 313.344 2.442 20 10 DECDHM COc1cccc(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001665657630 1081056543 /nfs/dbraw/zinc/05/65/43/1081056543.db2.gz GWSRCLCDKJVUMV-UHFFFAOYSA-N -1 3 311.334 2.018 20 10 DECDHM C[C@@H](NCc1c([O-])cccc1Br)c1ncn(C)n1 ZINC000706804224 1086650661 /nfs/dbraw/zinc/65/06/61/1086650661.db2.gz DOLWFHKWMYNTGO-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM CC(C)(C)OC(=O)N1CC(NCc2cc(F)cc(F)c2[O-])C1 ZINC000708420884 1086678314 /nfs/dbraw/zinc/67/83/14/1086678314.db2.gz NPLDFRWUOYEJFF-UHFFFAOYSA-N -1 3 314.332 2.379 20 10 DECDHM CC1(C(N)=O)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237620431 1138717913 /nfs/dbraw/zinc/71/79/13/1138717913.db2.gz MLTWASFAGZBCSD-UHFFFAOYSA-N -1 3 300.761 2.272 20 10 DECDHM COc1ccc2c(c1)CN(C(=O)c1cccc(O)c1[O-])CCO2 ZINC001298282363 1140025675 /nfs/dbraw/zinc/02/56/75/1140025675.db2.gz ZYOILXJVLNSPLC-UHFFFAOYSA-N -1 3 315.325 2.141 20 10 DECDHM Cc1cc(CN2CCn3ncnc3C2)c([O-])cc1Br ZINC001250120313 1142084130 /nfs/dbraw/zinc/08/41/30/1142084130.db2.gz AZMBGVXXYKHIHT-UHFFFAOYSA-N -1 3 323.194 2.070 20 10 DECDHM CCOC(=O)c1cc(CNCc2cccc(Cl)c2[O-])[nH]n1 ZINC001262378284 1144310470 /nfs/dbraw/zinc/31/04/70/1144310470.db2.gz XXXBCWDGWZQGPZ-UHFFFAOYSA-N -1 3 309.753 2.235 20 10 DECDHM [O-]c1cc(F)c(F)cc1CNC1(c2ncccn2)CCOCC1 ZINC001308954331 1147491643 /nfs/dbraw/zinc/49/16/43/1147491643.db2.gz YEISPNKMIFNYDU-UHFFFAOYSA-N -1 3 321.327 2.256 20 10 DECDHM CCCOc1ccc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000092703379 185334222 /nfs/dbraw/zinc/33/42/22/185334222.db2.gz ABVNIIDEQWZBAT-HOTGVXAUSA-N -1 3 318.417 2.424 20 10 DECDHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@H]1c1cccs1 ZINC000376165366 296373259 /nfs/dbraw/zinc/37/32/59/296373259.db2.gz HSYGULFUBWIIHF-AWEZNQCLSA-N -1 3 306.362 2.266 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@](CO)(C(C)C)C2)c([O-])c1O ZINC000294812766 224238657 /nfs/dbraw/zinc/23/86/57/224238657.db2.gz PYJBEJSGARGLMX-KRWDZBQOSA-N -1 3 307.390 2.277 20 10 DECDHM CCc1nnc([C@@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])[nH]1 ZINC000273347964 130109868 /nfs/dbraw/zinc/10/98/68/130109868.db2.gz 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ZINC000364648936 404483526 /nfs/dbraw/zinc/48/35/26/404483526.db2.gz DOYDLPAVRJARKV-JTQLQIEISA-N -1 3 322.149 2.357 20 10 DECDHM COC(=O)CN(Cc1ccon1)Cc1cc(Cl)ccc1[O-] ZINC000077284630 401809192 /nfs/dbraw/zinc/80/91/92/401809192.db2.gz JKPFZEFTWYSSMK-UHFFFAOYSA-N -1 3 310.737 2.209 20 10 DECDHM COc1c([O-])c(CN2C[C@@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278140193 286187126 /nfs/dbraw/zinc/18/71/26/286187126.db2.gz AXCOMRNYFBJMJN-SNVBAGLBSA-N -1 3 310.350 2.308 20 10 DECDHM COC(=O)C1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184672625 402290019 /nfs/dbraw/zinc/29/00/19/402290019.db2.gz MURVCKBTYUMKOF-UHFFFAOYSA-N -1 3 313.781 2.439 20 10 DECDHM CCOC(=O)N1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000177227318 402383340 /nfs/dbraw/zinc/38/33/40/402383340.db2.gz QXQWILGGZGWZPG-UHFFFAOYSA-N -1 3 324.352 2.008 20 10 DECDHM C[C@H](NCc1ncn(C)n1)c1ccc(Br)cc1[O-] ZINC000186214688 402411496 /nfs/dbraw/zinc/41/14/96/402411496.db2.gz XLTXQUBYQCHBFQ-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM CCc1ccc([C@@H]2COCCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000187110279 402483098 /nfs/dbraw/zinc/48/30/98/402483098.db2.gz OUTLDMZPRIZZHW-ZDUSSCGKSA-N -1 3 317.341 2.467 20 10 DECDHM Cc1ccc(C(=O)NCC[C@](C)(O)c2ccccc2)c([O-])c1O ZINC000187490948 402502565 /nfs/dbraw/zinc/50/25/65/402502565.db2.gz AGXDVFUXVBHHGD-SFHVURJKSA-N -1 3 315.369 2.434 20 10 DECDHM C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1CO ZINC000191176625 402648069 /nfs/dbraw/zinc/64/80/69/402648069.db2.gz KTLHGPSEWRZUAF-PRHODGIISA-N -1 3 300.742 2.157 20 10 DECDHM COCCN(CCc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000279661788 402960786 /nfs/dbraw/zinc/96/07/86/402960786.db2.gz XVYVAJFXBTUQDJ-UHFFFAOYSA-N -1 3 315.369 2.429 20 10 DECDHM COc1c([O-])c(CN2C[C@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000280492810 403005641 /nfs/dbraw/zinc/00/56/41/403005641.db2.gz FLQSGZOLOAIEJC-IINYFYTJSA-N -1 3 322.361 2.308 20 10 DECDHM CCN(CCOCCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000282081534 403120778 /nfs/dbraw/zinc/12/07/78/403120778.db2.gz NZZVAPCFQJRCTQ-UHFFFAOYSA-N -1 3 315.797 2.079 20 10 DECDHM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000277129882 403197360 /nfs/dbraw/zinc/19/73/60/403197360.db2.gz UHJDUNZMYIYWSU-DTWKUNHWSA-N -1 3 304.350 2.220 20 10 DECDHM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000277129877 403197492 /nfs/dbraw/zinc/19/74/92/403197492.db2.gz UHJDUNZMYIYWSU-BDAKNGLRSA-N -1 3 304.350 2.220 20 10 DECDHM COCCN(CCN(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293513988 403492391 /nfs/dbraw/zinc/49/23/91/403492391.db2.gz AJAWJVBMZDTQBF-UHFFFAOYSA-N -1 3 304.793 2.195 20 10 DECDHM CCNC(=O)[C@@H](NCc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000293616149 403520479 /nfs/dbraw/zinc/52/04/79/403520479.db2.gz KKFJHGDTGYVPEN-ZDUSSCGKSA-N -1 3 302.777 2.435 20 10 DECDHM CCCN(CC(=O)N(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295363336 403881631 /nfs/dbraw/zinc/88/16/31/403881631.db2.gz NXWVULDSENEQNJ-UHFFFAOYSA-N -1 3 302.777 2.485 20 10 DECDHM CC(C)S(=O)(=O)CCN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000290354762 404138985 /nfs/dbraw/zinc/13/89/85/404138985.db2.gz QIQUILMRSFTBCE-SECBINFHSA-N -1 3 307.362 2.144 20 10 DECDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])OCCc2sccc21 ZINC000291215717 404377818 /nfs/dbraw/zinc/37/78/18/404377818.db2.gz VVXPXGGZJJOZHG-MRXNPFEDSA-N -1 3 319.382 2.377 20 10 DECDHM Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2CO)c([O-])c1O ZINC000274833249 301517720 /nfs/dbraw/zinc/51/77/20/301517720.db2.gz SDTVESZHMCUBOM-OAHLLOKOSA-N -1 3 313.353 2.138 20 10 DECDHM CCCCCN(CC(N)=O)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000183039060 520159204 /nfs/dbraw/zinc/15/92/04/520159204.db2.gz OBDUCCQFDWGUHI-UHFFFAOYSA-N -1 3 310.369 2.211 20 10 DECDHM Cc1nc([C@H]2COCCN2Cc2cc(Cl)ccc2[O-])no1 ZINC000373112311 534614815 /nfs/dbraw/zinc/61/48/15/534614815.db2.gz KGZOEDANFBBNLM-GFCCVEGCSA-N -1 3 309.753 2.311 20 10 DECDHM C[C@@H]1CN(Cc2c([O-])ccc3ccccc32)CCS(=O)(=O)C1 ZINC000191364714 524980790 /nfs/dbraw/zinc/98/07/90/524980790.db2.gz JJJBHYRPOAYYGR-CYBMUJFWSA-N -1 3 319.426 2.412 20 10 DECDHM CN(C)c1ccc(/C=C\CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000835042256 649870664 /nfs/dbraw/zinc/87/06/64/649870664.db2.gz FZZCIMHSSCRLMK-WAYWQWQTSA-N -1 3 312.421 2.338 20 10 DECDHM Cc1cc(C(=O)NC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234858 598609869 /nfs/dbraw/zinc/60/98/69/598609869.db2.gz RTTKOOAUNDTYKY-UHFFFAOYSA-N -1 3 324.388 2.412 20 10 DECDHM COc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1O ZINC000826216132 608377602 /nfs/dbraw/zinc/37/76/02/608377602.db2.gz LTZPOFJEDGDEMT-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM COc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1O ZINC000826216132 608377604 /nfs/dbraw/zinc/37/76/04/608377604.db2.gz LTZPOFJEDGDEMT-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN(CC(N)=O)C2CCCC2)c1[O-] ZINC000122709046 625127817 /nfs/dbraw/zinc/12/78/17/625127817.db2.gz CWVOROQCCWPRIP-UHFFFAOYSA-N -1 3 324.808 2.478 20 10 DECDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H]1CO ZINC000893920524 636065468 /nfs/dbraw/zinc/06/54/68/636065468.db2.gz BPYUDBHTWVSLJX-SNVBAGLBSA-N -1 3 304.159 2.251 20 10 DECDHM CCc1noc(C)c1CNC(=O)NCc1c([O-])cccc1F ZINC000922610775 636280771 /nfs/dbraw/zinc/28/07/71/636280771.db2.gz DRIPYEXPAITJOT-UHFFFAOYSA-N -1 3 307.325 2.390 20 10 DECDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000078005220 636367402 /nfs/dbraw/zinc/36/74/02/636367402.db2.gz WCWGNEUCUYSURT-UHFFFAOYSA-N -1 3 320.370 2.460 20 10 DECDHM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccc(O)c1[O-] ZINC000186955236 636647697 /nfs/dbraw/zinc/64/76/97/636647697.db2.gz JFIYASRSJBXSPQ-UHFFFAOYSA-N -1 3 314.219 2.057 20 10 DECDHM C[C@@H](O)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894430636 637035026 /nfs/dbraw/zinc/03/50/26/637035026.db2.gz HOWNZENIYVRVSF-RKDXNWHRSA-N -1 3 318.186 2.497 20 10 DECDHM CCn1ccc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])n1 ZINC000840839995 650365390 /nfs/dbraw/zinc/36/53/90/650365390.db2.gz CPLLUKLHAQORDL-NSHDSACASA-N -1 3 303.362 2.246 20 10 DECDHM CCOC(=O)C1(CC(=O)NCc2c([O-])cccc2F)CCC1 ZINC000928708753 639487913 /nfs/dbraw/zinc/48/79/13/639487913.db2.gz SIJQKDCFADKOGV-UHFFFAOYSA-N -1 3 309.337 2.271 20 10 DECDHM O=C(CCNC(=O)C1CCCCC1)NCc1c([O-])cccc1F ZINC000928711650 639488776 /nfs/dbraw/zinc/48/87/76/639488776.db2.gz KOHGBPSYEQZRNE-UHFFFAOYSA-N -1 3 322.380 2.234 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc(N2CCCC2)nc1 ZINC000928712719 639492878 /nfs/dbraw/zinc/49/28/78/639492878.db2.gz XMFOTWNUPJNMTP-UHFFFAOYSA-N -1 3 315.348 2.457 20 10 DECDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1O ZINC000777940823 642323086 /nfs/dbraw/zinc/32/30/86/642323086.db2.gz SROFTYKTSNXGDZ-UHFFFAOYSA-N -1 3 307.327 2.230 20 10 DECDHM O=S1(=O)CCN(Cc2cc(F)ccc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000779018592 642456206 /nfs/dbraw/zinc/45/62/06/642456206.db2.gz MOGKWWVTVSCTEI-HIFRSBDPSA-N -1 3 313.394 2.073 20 10 DECDHM CNC(=O)Nc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780862177 642680528 /nfs/dbraw/zinc/68/05/28/642680528.db2.gz NWPIOSOQPFYXHP-UHFFFAOYSA-N -1 3 315.329 2.410 20 10 DECDHM COC(=O)Cc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780982336 642698590 /nfs/dbraw/zinc/69/85/90/642698590.db2.gz FHLBOQWJJFNXTO-UHFFFAOYSA-N -1 3 315.325 2.374 20 10 DECDHM COc1ccc2ccc([O-])c(CN3CN(C)C(=O)[C@H]3C)c2c1 ZINC000842641484 650792560 /nfs/dbraw/zinc/79/25/60/650792560.db2.gz OJDZZWWSNBZUCO-LLVKDONJSA-N -1 3 300.358 2.174 20 10 DECDHM COCCO[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000783715162 643040789 /nfs/dbraw/zinc/04/07/89/643040789.db2.gz INKZSINJZSARDF-GFCCVEGCSA-N -1 3 303.761 2.422 20 10 DECDHM Cc1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])c2ccnn2C)c1[O-] ZINC000843037663 650873152 /nfs/dbraw/zinc/87/31/52/650873152.db2.gz AMSWHRCDUPUSJC-GFCCVEGCSA-N -1 3 309.753 2.003 20 10 DECDHM CC[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000796930998 644813352 /nfs/dbraw/zinc/81/33/52/644813352.db2.gz MEKVTOWSYGCZFU-AWEZNQCLSA-N -1 3 320.368 2.379 20 10 DECDHM C[C@H](O)c1cn(C2CN(Cc3ccc4ccccc4c3[O-])C2)nn1 ZINC000816565172 647152102 /nfs/dbraw/zinc/15/21/02/647152102.db2.gz FAXZVFOWGKPRNR-LBPRGKRZSA-N -1 3 324.384 2.247 20 10 DECDHM CC1(C)[C@H](NC(=O)NCc2c([O-])cccc2F)[C@@H]2CCO[C@H]21 ZINC000920126558 648209181 /nfs/dbraw/zinc/20/91/81/648209181.db2.gz SWQSXVPFPBSMMB-CUOATXAZSA-N -1 3 308.353 2.144 20 10 DECDHM Cc1cc([O-])c(CN2CCN(c3cnn(C)c3)CC2)cc1Cl ZINC000824808595 648655813 /nfs/dbraw/zinc/65/58/13/648655813.db2.gz LPEFNDNJDPZCRI-UHFFFAOYSA-N -1 3 320.824 2.410 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CCc2c[nH]nc2C1 ZINC000824851210 648662073 /nfs/dbraw/zinc/66/20/73/648662073.db2.gz WBNFJMFKTAITBU-UHFFFAOYSA-N -1 3 308.179 2.436 20 10 DECDHM CN(C)C(=O)N[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000825280060 648735692 /nfs/dbraw/zinc/73/56/92/648735692.db2.gz WXFFBCFRWRFMRU-LBPRGKRZSA-N -1 3 311.813 2.281 20 10 DECDHM Cn1ccnc1N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000827884784 649098951 /nfs/dbraw/zinc/09/89/51/649098951.db2.gz HXJTXFOTCVUSJH-UHFFFAOYSA-N -1 3 306.797 2.101 20 10 DECDHM Cc1cc(C)n(CCCC(=O)NCc2c([O-])cccc2F)n1 ZINC000830179738 649405739 /nfs/dbraw/zinc/40/57/39/649405739.db2.gz CGKSNEPUIRRJKC-UHFFFAOYSA-N -1 3 305.353 2.441 20 10 DECDHM COc1ccc(N2CC[C@H](NC(=O)c3ccccc3[O-])C2)cc1 ZINC000855230886 651651995 /nfs/dbraw/zinc/65/19/95/651651995.db2.gz GBNQKJVWMODXEJ-ZDUSSCGKSA-N -1 3 312.369 2.410 20 10 DECDHM CC[C@H](C(=O)NCc1c([O-])cccc1F)N1CCO[C@H](CC)C1 ZINC000928709019 693831302 /nfs/dbraw/zinc/83/13/02/693831302.db2.gz VTJWUJNJQFZWBD-IUODEOHRSA-N -1 3 324.396 2.037 20 10 DECDHM COC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)c(F)c1 ZINC000193152732 685033333 /nfs/dbraw/zinc/03/33/33/685033333.db2.gz ADDDCTPOHYRCIS-ZDUSSCGKSA-N -1 3 323.295 2.494 20 10 DECDHM Cc1nnc(CN(C)Cc2c([O-])cccc2Br)o1 ZINC000862412528 686295691 /nfs/dbraw/zinc/29/56/91/686295691.db2.gz SIOSKHBIGAUJLR-UHFFFAOYSA-N -1 3 312.167 2.478 20 10 DECDHM [O-]c1c(CN2CC[C@@H](Nc3ncccn3)C2)ccc(F)c1F ZINC000877603029 690165029 /nfs/dbraw/zinc/16/50/29/690165029.db2.gz CGGABHUYUKZELT-LLVKDONJSA-N -1 3 306.316 2.147 20 10 DECDHM COC[C@@](C)(NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000932314819 694591446 /nfs/dbraw/zinc/59/14/46/694591446.db2.gz NNZCIVSPPYSLMQ-GFCCVEGCSA-N -1 3 324.274 2.298 20 10 DECDHM CCS(=O)(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001344117070 1150797889 /nfs/dbraw/zinc/79/78/89/1150797889.db2.gz RTBYPTISCLWSFP-UHFFFAOYSA-N -1 3 321.354 2.144 20 10 DECDHM O=C(CNc1cc2[nH]cnc2cc1F)c1ccc([O-])c(O)c1 ZINC001170320716 786908171 /nfs/dbraw/zinc/90/81/71/786908171.db2.gz KGZXCRJBLMPIQU-UHFFFAOYSA-N -1 3 301.277 2.408 20 10 DECDHM O=C(Nc1cc(Cl)nnc1Cl)c1cccc(O)c1[O-] ZINC001148212551 791710434 /nfs/dbraw/zinc/71/04/34/791710434.db2.gz DGQSYYMKFRFDOR-UHFFFAOYSA-N -1 3 300.101 2.447 20 10 DECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC[C@H]1c1nccs1 ZINC001148584001 791777386 /nfs/dbraw/zinc/77/73/86/791777386.db2.gz KHUVFUSOXHUYLF-VIFPVBQESA-N -1 3 306.343 2.237 20 10 DECDHM CN(CCC(=O)c1ccccc1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583931 791777545 /nfs/dbraw/zinc/77/75/45/791777545.db2.gz HTXDSVZPYFEVLW-UHFFFAOYSA-N -1 3 315.325 2.148 20 10 DECDHM C[C@H]1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CCC1(F)F ZINC001148581812 791777562 /nfs/dbraw/zinc/77/75/62/791777562.db2.gz BHZFPJYSKMLZJD-QMMMGPOBSA-N -1 3 301.289 2.311 20 10 DECDHM Cc1noc2ccc(CNC(=O)c3cc(O)c([O-])c(O)c3)cc12 ZINC001148590536 791778193 /nfs/dbraw/zinc/77/81/93/791778193.db2.gz MCDLMHICNVBNIA-UHFFFAOYSA-N -1 3 314.297 2.183 20 10 DECDHM CC(=O)c1cc(C(=O)N2CCc3cccc(O)c3C2)ccc1[O-] ZINC001148662806 791790559 /nfs/dbraw/zinc/79/05/59/791790559.db2.gz QXCZKISZBYBDHG-UHFFFAOYSA-N -1 3 311.337 2.499 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@H]1CC(=O)Nc2ccccc21 ZINC001178413023 794922111 /nfs/dbraw/zinc/92/21/11/794922111.db2.gz KUWXXVVYQXXMFF-NSHDSACASA-N -1 3 314.316 2.274 20 10 DECDHM CC1(C)CN(Cc2cc(F)c(F)cc2[O-])C[C@]2(CCOC2)O1 ZINC001181174710 795434538 /nfs/dbraw/zinc/43/45/38/795434538.db2.gz CKOXAZXDPKTCQK-INIZCTEOSA-N -1 3 313.344 2.440 20 10 DECDHM COc1ccc(N2CC[C@@H](CNc3nc(C)cc(=O)[n-]3)C2)cc1 ZINC001120943500 795564560 /nfs/dbraw/zinc/56/45/60/795564560.db2.gz FXWLSRIXKRMVKH-ZDUSSCGKSA-N -1 3 314.389 2.438 20 10 DECDHM O=C(N1CCN(Cc2c([O-])cccc2Cl)CC1)C(F)(F)F ZINC001140338047 796509099 /nfs/dbraw/zinc/50/90/99/796509099.db2.gz SRCVYJSUVMMTBL-UHFFFAOYSA-N -1 3 322.714 2.252 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001142508524 796746843 /nfs/dbraw/zinc/74/68/43/796746843.db2.gz BWXGFFGDOMGJJR-BDAKNGLRSA-N -1 3 311.250 2.273 20 10 DECDHM CN(C[C@](C)(O)c1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001142693888 796763342 /nfs/dbraw/zinc/76/33/42/796763342.db2.gz GKFMCONSKQKTAO-KRWDZBQOSA-N -1 3 301.342 2.078 20 10 DECDHM O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cccc(O)c1[O-] ZINC001152347696 797174607 /nfs/dbraw/zinc/17/46/07/797174607.db2.gz FRZJBFLSPVLJED-VIFPVBQESA-N -1 3 307.331 2.053 20 10 DECDHM CC(C)(C)N1CCN(C(=O)c2cc(O)c([O-])c(Cl)c2)CC1 ZINC001193602822 797601529 /nfs/dbraw/zinc/60/15/29/797601529.db2.gz GMYQQQBVWJSXLN-UHFFFAOYSA-N -1 3 312.797 2.308 20 10 DECDHM N[C@H]1CN(Cc2cc(Br)ccc2[O-])CCC1(F)F ZINC001206654303 797712354 /nfs/dbraw/zinc/71/23/54/797712354.db2.gz AZUMXVRFUJQKBO-NSHDSACASA-N -1 3 321.165 2.323 20 10 DECDHM O=C(c1ccc(Cl)[n-]c1=O)N1CCc2cccc(O)c2C1 ZINC001195133417 797840141 /nfs/dbraw/zinc/84/01/41/797840141.db2.gz CGWMVQYLDPTAFT-UHFFFAOYSA-N -1 3 304.733 2.345 20 10 DECDHM CCN(Cc1ccccc1O)S(=O)(=O)c1ccc([O-])cc1 ZINC001195786805 797962120 /nfs/dbraw/zinc/96/21/20/797962120.db2.gz MVYUOMGIDSBQOT-UHFFFAOYSA-N -1 3 307.371 2.309 20 10 DECDHM COC(=O)CC[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC001203665517 800101746 /nfs/dbraw/zinc/10/17/46/800101746.db2.gz NOHGQJVPQVPHNS-CYBMUJFWSA-N -1 3 313.781 2.200 20 10 DECDHM COc1cc([O-])c(CN2CCC(F)(F)[C@@H](N)C2)c(Cl)c1 ZINC001206684485 800574767 /nfs/dbraw/zinc/57/47/67/800574767.db2.gz SGFFTHXBBXNEKC-LBPRGKRZSA-N -1 3 306.740 2.223 20 10 DECDHM CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231452017 801669425 /nfs/dbraw/zinc/66/94/25/801669425.db2.gz ZHUSHKFRXBVDIN-IVMMDQJWSA-N -1 3 305.374 2.337 20 10 DECDHM CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231452017 801669429 /nfs/dbraw/zinc/66/94/29/801669429.db2.gz ZHUSHKFRXBVDIN-IVMMDQJWSA-N -1 3 305.374 2.337 20 10 DECDHM COc1cc([O-])c(CN2CCN(C(C)=O)C[C@@H]2C)cc1Cl ZINC001232268545 801832628 /nfs/dbraw/zinc/83/26/28/801832628.db2.gz OXOOJPABCBHGHH-JTQLQIEISA-N -1 3 312.797 2.107 20 10 DECDHM [O-]c1cc(O)c(CN2CC(N3CCC(F)(F)C3)C2)cc1Cl ZINC001232264454 801834019 /nfs/dbraw/zinc/83/40/19/801834019.db2.gz CAQPELWGNQRLKQ-UHFFFAOYSA-N -1 3 318.751 2.276 20 10 DECDHM COc1cc([O-])c(CN2CCC[C@H]2C(=O)N(C)C)cc1Cl ZINC001232270068 801834969 /nfs/dbraw/zinc/83/49/69/801834969.db2.gz RRWMCCIZDMTFGS-LBPRGKRZSA-N -1 3 312.797 2.107 20 10 DECDHM O=C1CCC[C@@]2(CCCN(Cc3ccc(F)c(F)c3[O-])C2)N1 ZINC001233073625 802021027 /nfs/dbraw/zinc/02/10/27/802021027.db2.gz ATTQVHLUPTYZNJ-INIZCTEOSA-N -1 3 310.344 2.305 20 10 DECDHM CCOc1ccc(C[NH2+][C@@H](C[C@H]2CCCOC2)C(=O)[O-])c([O-])c1 ZINC001597101480 986718044 /nfs/dbraw/zinc/71/80/44/986718044.db2.gz VWDANPHHRDQRMR-DOMZBBRYSA-N -1 3 323.389 2.150 20 10 DECDHM C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593354441 994991288 /nfs/dbraw/zinc/99/12/88/994991288.db2.gz PZOHLEJATHHBIM-DOMZBBRYSA-N -1 3 315.369 2.345 20 10 DECDHM CC[C@H]([NH2+]CC[C@@H](C)CCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053413 1070186843 /nfs/dbraw/zinc/18/68/43/1070186843.db2.gz CBPOHHFDMOHHFA-RISCZKNCSA-N -1 3 319.409 2.022 20 10 DECDHM CCN(Cc1ccc(-c2nnn[n-]2)cn1)c1ccc(OC)cc1 ZINC001604322091 1070325813 /nfs/dbraw/zinc/32/58/13/1070325813.db2.gz VNYQNNXUQXNOEC-UHFFFAOYSA-N -1 3 310.361 2.297 20 10 DECDHM CCN(Cc1ccc(-c2nn[n-]n2)cn1)c1ccc(OC)cc1 ZINC001604322091 1070325827 /nfs/dbraw/zinc/32/58/27/1070325827.db2.gz VNYQNNXUQXNOEC-UHFFFAOYSA-N -1 3 310.361 2.297 20 10 DECDHM COC[C@@](C)(CC(=O)[O-])NCc1cc(F)c(N(C)C)cc1F ZINC001606785369 1071213580 /nfs/dbraw/zinc/21/35/80/1071213580.db2.gz LYPNVDUWKUEEAX-OAHLLOKOSA-N -1 3 316.348 2.000 20 10 DECDHM COc1ccc2c(c1)CC[C@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC001546126872 1058706225 /nfs/dbraw/zinc/70/62/25/1058706225.db2.gz HEWVGDUHTRYMPP-ZDUSSCGKSA-N -1 3 313.353 2.394 20 10 DECDHM COc1c([O-])c(CN[C@H]2C[C@H](C)n3ccnc32)ccc1[N+](=O)[O-] ZINC001462241402 1058787734 /nfs/dbraw/zinc/78/77/34/1058787734.db2.gz WQFSYEOJWQRYRQ-ONGXEEELSA-N -1 3 318.333 2.301 20 10 DECDHM Cc1nn(C)c2ncc(C(=O)NCc3c([O-])cccc3F)cc12 ZINC001471975226 1060353924 /nfs/dbraw/zinc/35/39/24/1060353924.db2.gz UTPJSNKAMUZJRA-UHFFFAOYSA-N -1 3 314.320 2.051 20 10 DECDHM NC(=O)c1cc(NCc2c([O-])cccc2F)ccc1[N+](=O)[O-] ZINC001612950175 1078114892 /nfs/dbraw/zinc/11/48/92/1078114892.db2.gz IFZFXMRUHOILLF-UHFFFAOYSA-N -1 3 305.265 2.151 20 10 DECDHM CO[C@@H](CNC(=O)c1cccc(O)c1[O-])Cc1ccccc1 ZINC001627983167 1078286498 /nfs/dbraw/zinc/28/64/98/1078286498.db2.gz WQKHEJYXFCNBPQ-CYBMUJFWSA-N -1 3 301.342 2.085 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCOc2cc(F)ccc2C1 ZINC001641863880 1078732862 /nfs/dbraw/zinc/73/28/62/1078732862.db2.gz ANHWHLYIPINLDX-UHFFFAOYSA-N -1 3 303.289 2.272 20 10 DECDHM COC(=O)c1ccccc1CC(=O)NCc1c([O-])cccc1F ZINC001646033740 1079083959 /nfs/dbraw/zinc/08/39/59/1079083959.db2.gz CUVTXHIXVKQQIB-UHFFFAOYSA-N -1 3 317.316 2.177 20 10 DECDHM O=C(C=Cc1ccc(O)c(O)c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001556723192 1075041168 /nfs/dbraw/zinc/04/11/68/1075041168.db2.gz WBKUYVTZVKTUGU-KXFIGUGUSA-N -1 3 311.297 2.332 20 10 DECDHM CN1CC(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])=NC1=O ZINC001556884825 1075047945 /nfs/dbraw/zinc/04/79/45/1075047945.db2.gz LQVKLYNAZLMWJI-UHFFFAOYSA-N -1 3 316.144 2.068 20 10 DECDHM Cc1ccc(C(=O)Nc2c[nH]nc2C(F)(F)F)c([O-])c1O ZINC001558332969 1075089949 /nfs/dbraw/zinc/08/99/49/1075089949.db2.gz GOKTUVYEJMNNFQ-UHFFFAOYSA-N -1 3 301.224 2.400 20 10 DECDHM O=C(NCCc1ccc(O)cc1)NCc1c([O-])cccc1F ZINC001563878532 1075170231 /nfs/dbraw/zinc/17/02/31/1075170231.db2.gz LFWMGAHWUKFPQP-UHFFFAOYSA-N -1 3 304.321 2.279 20 10 DECDHM C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961169 1076537632 /nfs/dbraw/zinc/53/76/32/1076537632.db2.gz BQLLWDYAQBPRLD-WDEREUQCSA-N -1 3 317.393 2.181 20 10 DECDHM CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@@H](O)C(C)C ZINC001590462102 1076631472 /nfs/dbraw/zinc/63/14/72/1076631472.db2.gz NFCHKRLKXZQAFB-BPNCWPANSA-N -1 3 319.409 2.018 20 10 DECDHM CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466720 1076634601 /nfs/dbraw/zinc/63/46/01/1076634601.db2.gz MDUCYDDXIMWTJC-RISCZKNCSA-N -1 3 315.377 2.306 20 10 DECDHM CC[C@H]([NH2+]CCC(C)(C)OC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469027 1076635524 /nfs/dbraw/zinc/63/55/24/1076635524.db2.gz XFWUTADXMOZEGQ-ZDUSSCGKSA-N -1 3 319.409 2.428 20 10 DECDHM CCC[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])OCC ZINC001590556990 1076651890 /nfs/dbraw/zinc/65/18/90/1076651890.db2.gz DMKVSQDRYIFZAN-NWDGAFQWSA-N -1 3 319.409 2.428 20 10 DECDHM CCOC[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C(C)C ZINC001590800445 1076678974 /nfs/dbraw/zinc/67/89/74/1076678974.db2.gz POGYWMYQTIWTSU-BXUZGUMPSA-N -1 3 319.409 2.284 20 10 DECDHM Cc1cc(C=C2SC(=S)N(C)C2=O)ccc1-c1nnn[n-]1 ZINC001591958612 1076814699 /nfs/dbraw/zinc/81/46/99/1076814699.db2.gz DROMGSPQRBUGBK-UXBLZVDNSA-N -1 3 317.399 2.006 20 10 DECDHM Cc1cc(C=C2SC(=S)N(C)C2=O)ccc1-c1nn[n-]n1 ZINC001591958612 1076814708 /nfs/dbraw/zinc/81/47/08/1076814708.db2.gz DROMGSPQRBUGBK-UXBLZVDNSA-N -1 3 317.399 2.006 20 10 DECDHM Cc1ccccc1[C@H](CO)N(C)C(=O)c1cccc(O)c1[O-] ZINC001596222974 1077075583 /nfs/dbraw/zinc/07/55/83/1077075583.db2.gz MGMBCVZGXHGSKE-AWEZNQCLSA-N -1 3 301.342 2.212 20 10 DECDHM C[C@@H](NCc1cccc(N(C)C)n1)c1cc(C(=O)[O-])ccc1O ZINC001609781001 1077922576 /nfs/dbraw/zinc/92/25/76/1077922576.db2.gz MBAYWDVLHRJMLX-LLVKDONJSA-N -1 3 315.373 2.402 20 10 DECDHM Cc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)c(F)c1 ZINC001666281565 1081140108 /nfs/dbraw/zinc/14/01/08/1081140108.db2.gz UOZPFJYRCFJXMD-UHFFFAOYSA-N -1 3 313.325 2.457 20 10 DECDHM CN1C[C@@H]2C[C@H]1CN2Cc1cc(Br)cc(F)c1[O-] ZINC001235067518 1084296924 /nfs/dbraw/zinc/29/69/24/1084296924.db2.gz VGUSOQGGAHGKPC-QWRGUYRKSA-N -1 3 315.186 2.182 20 10 DECDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(CCCO)CC1 ZINC001237078340 1138500334 /nfs/dbraw/zinc/50/03/34/1138500334.db2.gz PVVSRIBXSYXQFP-UHFFFAOYSA-N -1 3 319.232 2.199 20 10 DECDHM CCOC1CN(Cc2c([O-])cc(OC)cc2Br)C1 ZINC001237058920 1138492867 /nfs/dbraw/zinc/49/28/67/1138492867.db2.gz BZQPPQRHNRXQKK-UHFFFAOYSA-N -1 3 316.195 2.384 20 10 DECDHM COc1ccc(CS(=O)(=O)Nc2ccc([O-])c(F)c2)cc1 ZINC001259899378 1144156007 /nfs/dbraw/zinc/15/60/07/1144156007.db2.gz KKMYJYIAIUPILO-UHFFFAOYSA-N -1 3 311.334 2.482 20 10 DECDHM CCCOc1ccc(CN2CC[C@](F)(C(=O)OC)C2)c([O-])c1 ZINC000093887992 355689611 /nfs/dbraw/zinc/68/96/11/355689611.db2.gz QXDSCSAUPHOVLX-MRXNPFEDSA-N -1 3 311.353 2.268 20 10 DECDHM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(Cl)ccc1[O-] ZINC000370365385 533066902 /nfs/dbraw/zinc/06/69/02/533066902.db2.gz FOXYHWYKEXZLSB-OLZOCXBDSA-N -1 3 313.781 2.198 20 10 DECDHM COC(=O)C1(NC(=O)c2ccc(C)c(O)c2[O-])CCCCC1 ZINC000272752361 130059739 /nfs/dbraw/zinc/05/97/39/130059739.db2.gz KBKNCEJQGLVAMS-UHFFFAOYSA-N -1 3 307.346 2.012 20 10 DECDHM C[C@@H](NCc1cnnn1C)c1ccc(Br)cc1[O-] ZINC000287385899 131278351 /nfs/dbraw/zinc/27/83/51/131278351.db2.gz PTMXZGVYKGGTOW-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM CN(CC(F)(F)Br)C(=O)c1cccc(O)c1[O-] ZINC000288356565 131321584 /nfs/dbraw/zinc/32/15/84/131321584.db2.gz UCGZBHACGMRBGM-UHFFFAOYSA-N -1 3 310.094 2.158 20 10 DECDHM CNC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000184679728 402290683 /nfs/dbraw/zinc/29/06/83/402290683.db2.gz XDBZCTHZTKWKSU-GFCCVEGCSA-N -1 3 312.797 2.155 20 10 DECDHM COc1cc(Cl)cc(CN2CCC[C@@H](n3cncn3)C2)c1[O-] ZINC000184689200 402291911 /nfs/dbraw/zinc/29/19/11/402291911.db2.gz COEXIQDULCHHJD-CYBMUJFWSA-N -1 3 322.796 2.483 20 10 DECDHM Cn1cncc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000177064755 402366208 /nfs/dbraw/zinc/36/62/08/402366208.db2.gz LGIQFLLYWXKDFA-MRXNPFEDSA-N -1 3 301.390 2.307 20 10 DECDHM C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1[O-] ZINC000186021586 402396919 /nfs/dbraw/zinc/39/69/19/402396919.db2.gz KHGXUEWAYOLUCF-KCJUWKMLSA-N -1 3 320.286 2.345 20 10 DECDHM COCCN(Cc1ccco1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177670358 402425090 /nfs/dbraw/zinc/42/50/90/402425090.db2.gz MXMVYOIRGKPKLW-UHFFFAOYSA-N -1 3 305.330 2.288 20 10 DECDHM CCc1ccc([C@@H](COC)NC(=O)c2cccc(O)c2[O-])o1 ZINC000187127772 402484037 /nfs/dbraw/zinc/48/40/37/402484037.db2.gz BUAQXNCRYDZZNO-GFCCVEGCSA-N -1 3 305.330 2.371 20 10 DECDHM Cc1ccc(C(=O)N(C)Cc2nccn2C(F)F)c([O-])c1O ZINC000179415233 402589506 /nfs/dbraw/zinc/58/95/06/402589506.db2.gz LRPPAQCYTYPFKZ-UHFFFAOYSA-N -1 3 311.288 2.270 20 10 DECDHM COc1c([O-])c(CN2C[C@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278140191 402859273 /nfs/dbraw/zinc/85/92/73/402859273.db2.gz AXCOMRNYFBJMJN-JTQLQIEISA-N -1 3 310.350 2.308 20 10 DECDHM COc1c([O-])c(CNc2ccc(N(C)C)nc2)ccc1[N+](=O)[O-] ZINC000278884623 402881679 /nfs/dbraw/zinc/88/16/79/402881679.db2.gz OPDLRWAMQDHBKM-UHFFFAOYSA-N -1 3 318.333 2.382 20 10 DECDHM Cc1cc(Br)cc(CN2CCC[C@H](O)C2)c1[O-] ZINC000271787227 402884459 /nfs/dbraw/zinc/88/44/59/402884459.db2.gz IBHIPSRIYRUGBK-LBPRGKRZSA-N -1 3 300.196 2.420 20 10 DECDHM CC(C)(C)CCN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276639084 403192007 /nfs/dbraw/zinc/19/20/07/403192007.db2.gz XJIZEXZENZMSTC-UHFFFAOYSA-N -1 3 324.396 2.431 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000292414032 403359400 /nfs/dbraw/zinc/35/94/00/403359400.db2.gz BSUGMMVYHAMDID-UKRRQHHQSA-N -1 3 303.358 2.272 20 10 DECDHM CNC(=O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295506234 403962225 /nfs/dbraw/zinc/96/22/25/403962225.db2.gz YUJDUOSLUBVORC-VIFPVBQESA-N -1 3 300.761 2.143 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CC[C@H](n2cncn2)C1 ZINC000364518920 404430835 /nfs/dbraw/zinc/43/08/35/404430835.db2.gz KAOZIEBNSDYSRR-LBPRGKRZSA-N -1 3 323.194 2.193 20 10 DECDHM CCOCCOC1CN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000297678673 404588403 /nfs/dbraw/zinc/58/84/03/404588403.db2.gz PAQSAMASRAPLBC-UHFFFAOYSA-N -1 3 315.797 2.292 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCCCNC2=O)c1[O-] ZINC000365883440 404738402 /nfs/dbraw/zinc/73/84/02/404738402.db2.gz RENHNZHCELOCRN-AWEZNQCLSA-N -1 3 324.808 2.349 20 10 DECDHM Cc1ccc(C(=O)N2CCC(OCC3CC3)CC2)c([O-])c1O ZINC000378559148 227218521 /nfs/dbraw/zinc/21/85/21/227218521.db2.gz AZEQFLTXUCTHKW-UHFFFAOYSA-N -1 3 305.374 2.437 20 10 DECDHM C[C@H](C[S@@](C)=O)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000130973907 524657545 /nfs/dbraw/zinc/65/75/45/524657545.db2.gz CWQCAYLWSGVUKQ-SQFXPLBJSA-N -1 3 320.798 2.153 20 10 DECDHM Cn1cnc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)n1 ZINC000193159367 534800780 /nfs/dbraw/zinc/80/07/80/534800780.db2.gz JQMRULDYQPYVGK-UHFFFAOYSA-N -1 3 310.313 2.146 20 10 DECDHM Cc1ccc(C(=O)NCCc2ccc3c(c2)CCO3)c([O-])c1O ZINC000182448648 526170987 /nfs/dbraw/zinc/17/09/87/526170987.db2.gz KPZMQLRJZCEDCB-UHFFFAOYSA-N -1 3 313.353 2.314 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000246859612 527209982 /nfs/dbraw/zinc/20/99/82/527209982.db2.gz FOSLZQKSWAXSGY-CVEARBPZSA-N -1 3 323.364 2.114 20 10 DECDHM CCN(C)C(=O)[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000296635357 527765810 /nfs/dbraw/zinc/76/58/10/527765810.db2.gz XSANUDWBDLDZCT-ABAIWWIYSA-N -1 3 323.393 2.454 20 10 DECDHM CN(C(=O)C=Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732192 598281359 /nfs/dbraw/zinc/28/13/59/598281359.db2.gz LDVGHDIPPPHRAW-QPJJXVBHSA-N -1 3 324.319 2.077 20 10 DECDHM CN(C(=O)C=Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732192 598281360 /nfs/dbraw/zinc/28/13/60/598281360.db2.gz LDVGHDIPPPHRAW-QPJJXVBHSA-N -1 3 324.319 2.077 20 10 DECDHM Cc1cncc(C=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826319230 607440636 /nfs/dbraw/zinc/44/06/36/607440636.db2.gz UCFVIEJJXIPIAY-FPYGCLRLSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1cncc(C=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826319230 607440637 /nfs/dbraw/zinc/44/06/37/607440637.db2.gz UCFVIEJJXIPIAY-FPYGCLRLSA-N -1 3 320.356 2.246 20 10 DECDHM C/C(=C/C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C(=O)[O-] ZINC000825730402 601165306 /nfs/dbraw/zinc/16/53/06/601165306.db2.gz WILKIVZGSZDRJC-JEMSNHSXSA-N -1 3 305.374 2.404 20 10 DECDHM C/C(=C/C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)C(=O)[O-] ZINC000825730402 601165307 /nfs/dbraw/zinc/16/53/07/601165307.db2.gz WILKIVZGSZDRJC-JEMSNHSXSA-N -1 3 305.374 2.404 20 10 DECDHM C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1c([O-])ccc2ccncc21 ZINC000736594292 633662742 /nfs/dbraw/zinc/66/27/42/633662742.db2.gz KVPLOEYZVSVNPU-SMDDFHAHSA-N -1 3 304.415 2.282 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1COC2(CCCC2)O1 ZINC000921786607 635201124 /nfs/dbraw/zinc/20/11/24/635201124.db2.gz IYNDCCVKCYUYLD-LLVKDONJSA-N -1 3 324.352 2.016 20 10 DECDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](CO)C1 ZINC000893863292 636049684 /nfs/dbraw/zinc/04/96/84/636049684.db2.gz DMTPAVKNYZTGHY-VIFPVBQESA-N -1 3 318.186 2.498 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H]2NC(=O)c3ccccc3N2C)c1 ZINC000726797026 636471408 /nfs/dbraw/zinc/47/14/08/636471408.db2.gz UOVFPNOCGNLWQN-HNNXBMFYSA-N -1 3 312.325 2.057 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000923973597 636758354 /nfs/dbraw/zinc/75/83/54/636758354.db2.gz QSPYBRKSPLADHP-ZIBATOQPSA-N -1 3 308.353 2.288 20 10 DECDHM COc1ccc(N2CC[C@H](Nc3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000894484078 637065754 /nfs/dbraw/zinc/06/57/54/637065754.db2.gz BQWQZGPCQDLUPV-LBPRGKRZSA-N -1 3 300.362 2.190 20 10 DECDHM Cn1nccc1[C@H](CO)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000839178068 637810542 /nfs/dbraw/zinc/81/05/42/637810542.db2.gz BJMDWVOKNOJWSF-NSHDSACASA-N -1 3 316.188 2.256 20 10 DECDHM Cc1cc([O-])c(CN(C)C[C@H]2CCS(=O)(=O)C2)c(Cl)c1 ZINC000840918623 650382225 /nfs/dbraw/zinc/38/22/25/650382225.db2.gz WUDHMHQNCGZBNQ-LLVKDONJSA-N -1 3 317.838 2.221 20 10 DECDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895837038 638226045 /nfs/dbraw/zinc/22/60/45/638226045.db2.gz JUBIVKFRCWYMAW-GFCCVEGCSA-N -1 3 311.250 2.417 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000897185261 639230096 /nfs/dbraw/zinc/23/00/96/639230096.db2.gz AMJSNVLBSYZWJX-ABAIWWIYSA-N -1 3 308.353 2.288 20 10 DECDHM C[C@@H](OCc1ccncc1)C(=O)NCc1c([O-])cccc1F ZINC000928704945 639483730 /nfs/dbraw/zinc/48/37/30/639483730.db2.gz BGPVJAVNUQEASE-LLVKDONJSA-N -1 3 304.321 2.148 20 10 DECDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)N(C)CC(F)(F)F ZINC000928709200 639487943 /nfs/dbraw/zinc/48/79/43/639487943.db2.gz YFKJIPDJWNKYJF-QMMMGPOBSA-N -1 3 308.275 2.030 20 10 DECDHM C[C@H](NCc1cccc(C(N)=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756373496 639655372 /nfs/dbraw/zinc/65/53/72/639655372.db2.gz WWCYTHIILHGELZ-JTQLQIEISA-N -1 3 315.329 2.250 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(C)ncn2)c1 ZINC000756776839 639694125 /nfs/dbraw/zinc/69/41/25/639694125.db2.gz SGKNTGRMYSKXPT-NSHDSACASA-N -1 3 301.346 2.128 20 10 DECDHM CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(F)ccc1[O-] ZINC000763479619 640546551 /nfs/dbraw/zinc/54/65/51/640546551.db2.gz LKWRBFMLTPGVBM-HNNXBMFYSA-N -1 3 318.348 2.190 20 10 DECDHM CC(=O)c1cn(C2CN(Cc3ccc4ccccc4c3[O-])C2)nn1 ZINC000897940588 640981206 /nfs/dbraw/zinc/98/12/06/640981206.db2.gz RYJBZBVJPYWTKT-UHFFFAOYSA-N -1 3 322.368 2.396 20 10 DECDHM COC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000770466816 641372439 /nfs/dbraw/zinc/37/24/39/641372439.db2.gz ZPUZKTVCENGUDV-UHFFFAOYSA-N -1 3 301.298 2.445 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc([S@](C)=O)c2)c([O-])c1O ZINC000770488651 641376158 /nfs/dbraw/zinc/37/61/58/641376158.db2.gz MSMNRWQHDZUPDS-NRFANRHFSA-N -1 3 305.355 2.396 20 10 DECDHM COc1c([O-])c(CNCc2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000775026990 641996926 /nfs/dbraw/zinc/99/69/26/641996926.db2.gz DBTKGBIUMJSYBW-UHFFFAOYSA-N -1 3 309.347 2.364 20 10 DECDHM CC[C@H](CO)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775726643 642085345 /nfs/dbraw/zinc/08/53/45/642085345.db2.gz YNGRAWNCCKIYMD-CYBMUJFWSA-N -1 3 316.804 2.073 20 10 DECDHM C[C@@H]1[C@H](C)N(C)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000775987287 642120463 /nfs/dbraw/zinc/12/04/63/642120463.db2.gz VIYGLMNLMSZLSJ-VHSXEESVSA-N -1 3 313.785 2.478 20 10 DECDHM COC(=O)c1ccc(C)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000776596849 642191774 /nfs/dbraw/zinc/19/17/74/642191774.db2.gz LFAKSNCHRBRVIU-UHFFFAOYSA-N -1 3 301.298 2.445 20 10 DECDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1C ZINC000776744078 642203119 /nfs/dbraw/zinc/20/31/19/642203119.db2.gz DPGPVBDUJSBSEK-UHFFFAOYSA-N -1 3 321.354 2.288 20 10 DECDHM O=S1(=O)CCN(Cc2cc(F)ccc2[O-])[C@H]2CCCC[C@H]21 ZINC000779018588 642455320 /nfs/dbraw/zinc/45/53/20/642455320.db2.gz MOGKWWVTVSCTEI-DZGCQCFKSA-N -1 3 313.394 2.073 20 10 DECDHM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])CCN1CCO ZINC000783714556 643041712 /nfs/dbraw/zinc/04/17/12/643041712.db2.gz RRDCOGPSPMAHMY-UHFFFAOYSA-N -1 3 316.804 2.073 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783746847 643045839 /nfs/dbraw/zinc/04/58/39/643045839.db2.gz YPFPHTKNKCJVEC-SMDDNHRTSA-N -1 3 312.207 2.277 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2cccs2)CC1 ZINC000790475004 643856778 /nfs/dbraw/zinc/85/67/78/643856778.db2.gz LMPNYZYJIYERJB-UHFFFAOYSA-N -1 3 318.398 2.117 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000790544961 643866092 /nfs/dbraw/zinc/86/60/92/643866092.db2.gz ZNXSNWZZVHSMLV-QMMMGPOBSA-N -1 3 313.313 2.171 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](OCC(F)(F)F)C1 ZINC000790563032 643866910 /nfs/dbraw/zinc/86/69/10/643866910.db2.gz UNRHDZUYFBZSSF-VIFPVBQESA-N -1 3 319.279 2.281 20 10 DECDHM COC[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000790840881 643902029 /nfs/dbraw/zinc/90/20/29/643902029.db2.gz ZHVNFJYCPVYMJW-ZDUSSCGKSA-N -1 3 301.342 2.085 20 10 DECDHM [O-]c1ccc(Cl)c(F)c1CN1CCN(CCCCO)CC1 ZINC000792167420 644082096 /nfs/dbraw/zinc/08/20/96/644082096.db2.gz IPFQPAFSEKIAGF-UHFFFAOYSA-N -1 3 316.804 2.075 20 10 DECDHM CSc1cc(O)ccc1[N-]S(=O)(=O)CCOC(C)C ZINC000792702396 644140843 /nfs/dbraw/zinc/14/08/43/644140843.db2.gz SHFXVWJQJNSKIG-UHFFFAOYSA-N -1 3 305.421 2.281 20 10 DECDHM O=C1N[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C[C@@H]2CO1 ZINC000798957705 645103377 /nfs/dbraw/zinc/10/33/77/645103377.db2.gz LMCNACCCAZHVJY-KCJUWKMLSA-N -1 3 314.744 2.115 20 10 DECDHM CCOC(=O)CC(C)(C)CC(=O)C([O-])=Cc1c(C)noc1C ZINC000808093630 646029599 /nfs/dbraw/zinc/02/95/99/646029599.db2.gz RDVOQGSBCLMSBE-UHFFFAOYSA-N -1 3 309.362 2.342 20 10 DECDHM C[C@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC(=O)N1 ZINC000840134517 646072499 /nfs/dbraw/zinc/07/24/99/646072499.db2.gz PJSKJHXDQMVWHH-NSHDSACASA-N -1 3 314.385 2.338 20 10 DECDHM COC(=O)C[C@@H]1CN(Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513475 647145626 /nfs/dbraw/zinc/14/56/26/647145626.db2.gz RFSIKSRVIDJFFR-OAHLLOKOSA-N -1 3 315.369 2.309 20 10 DECDHM C[C@@H]1CC[C@H](O)CN1Cc1cccc(Br)c1[O-] ZINC000817415015 647290705 /nfs/dbraw/zinc/29/07/05/647290705.db2.gz QZZSJYRCLAJZGH-KOLCDFICSA-N -1 3 300.196 2.500 20 10 DECDHM CC1(C)[C@H](NC(=O)NCc2c([O-])cccc2F)[C@H]2CCO[C@@H]21 ZINC000920126560 648208931 /nfs/dbraw/zinc/20/89/31/648208931.db2.gz SWQSXVPFPBSMMB-FZQKWOKYSA-N -1 3 308.353 2.144 20 10 DECDHM Cc1nccn1CCCCNC(=O)NCc1c([O-])cccc1F ZINC000920265952 648216660 /nfs/dbraw/zinc/21/66/60/648216660.db2.gz LDAUSINHLOOTFW-UHFFFAOYSA-N -1 3 320.368 2.316 20 10 DECDHM CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000921327522 648293474 /nfs/dbraw/zinc/29/34/74/648293474.db2.gz GWMDGLVHWNUZTH-IAQYHMDHSA-N -1 3 310.369 2.392 20 10 DECDHM CCOC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000824849176 648661500 /nfs/dbraw/zinc/66/15/00/648661500.db2.gz CLCRVGABIJZEKB-AWEZNQCLSA-N -1 3 313.781 2.118 20 10 DECDHM Cc1noc(CN(C)Cc2ccc(Br)cc2[O-])n1 ZINC000826538554 648870641 /nfs/dbraw/zinc/87/06/41/648870641.db2.gz FYISAOBYQJDQTE-UHFFFAOYSA-N -1 3 312.167 2.478 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CC[C@H](O)C(F)(F)C1 ZINC000826952908 648952374 /nfs/dbraw/zinc/95/23/74/648952374.db2.gz WRZXGCOVCXUWTN-NSHDSACASA-N -1 3 322.149 2.357 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CC[C@H](O)C(F)(F)C1 ZINC000826957845 648953042 /nfs/dbraw/zinc/95/30/42/648953042.db2.gz IKTMXAHSVOVZCR-NSHDSACASA-N -1 3 322.149 2.357 20 10 DECDHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cc(Cl)ccc1O ZINC000845998657 651300960 /nfs/dbraw/zinc/30/09/60/651300960.db2.gz ORBRHEDZKVQLJN-UHFFFAOYSA-N -1 3 316.766 2.129 20 10 DECDHM C[C@H]1CC[C@H](NCc2c([O-])ccc(Cl)c2F)CS1(=O)=O ZINC000850371369 651913312 /nfs/dbraw/zinc/91/33/12/651913312.db2.gz WYOWKQGKRDGANV-IUCAKERBSA-N -1 3 321.801 2.240 20 10 DECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(O)cc1[O-] ZINC000115280805 652132441 /nfs/dbraw/zinc/13/24/41/652132441.db2.gz XXLRRMSTFJVGCC-UHFFFAOYSA-N -1 3 300.358 2.402 20 10 DECDHM COC(=O)CN(Cc1c([O-])cccc1Br)C1CC1 ZINC000862253073 686266956 /nfs/dbraw/zinc/26/69/56/686266956.db2.gz ZWXYBHGCSOZLCY-UHFFFAOYSA-N -1 3 314.179 2.292 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1c[nH]nc1[C@@H]1CCCO1 ZINC000928709989 693830995 /nfs/dbraw/zinc/83/09/95/693830995.db2.gz ONAIARLMNICVMA-ZDUSSCGKSA-N -1 3 305.309 2.036 20 10 DECDHM CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928708369 693831040 /nfs/dbraw/zinc/83/10/40/693831040.db2.gz GJIVUQFATMMCRL-WDEREUQCSA-N -1 3 309.337 2.127 20 10 DECDHM CCOc1ccccc1CCNC(=O)c1cccc(O)c1[O-] ZINC000193013649 684463156 /nfs/dbraw/zinc/46/31/56/684463156.db2.gz QTAAJBUGFKZZDS-UHFFFAOYSA-N -1 3 301.342 2.469 20 10 DECDHM CONC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000877786543 690228401 /nfs/dbraw/zinc/22/84/01/690228401.db2.gz NEKXTPLFMCWTQD-UHFFFAOYSA-N -1 3 316.760 2.074 20 10 DECDHM COC[C@](C)(NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000932314820 694591252 /nfs/dbraw/zinc/59/12/52/694591252.db2.gz NNZCIVSPPYSLMQ-LBPRGKRZSA-N -1 3 324.274 2.298 20 10 DECDHM COc1cc([O-])c(CN2CCNCC(F)(F)C2)cc1Cl ZINC001211348283 777037246 /nfs/dbraw/zinc/03/72/46/777037246.db2.gz WSEUXQYZWBSAFI-UHFFFAOYSA-N -1 3 306.740 2.095 20 10 DECDHM O=C(Nc1c(Cl)cnnc1Cl)c1cccc(O)c1[O-] ZINC001148212372 791710173 /nfs/dbraw/zinc/71/01/73/791710173.db2.gz YLLZEEJEUHHUPU-UHFFFAOYSA-N -1 3 300.101 2.447 20 10 DECDHM Nc1cnc(N(C(=O)c2cccc(O)c2[O-])C2CCCC2)nc1 ZINC001148212280 791711161 /nfs/dbraw/zinc/71/11/61/791711161.db2.gz VQYCRJJWGRKXEA-UHFFFAOYSA-N -1 3 314.345 2.059 20 10 DECDHM O=C(NCc1ccc(-c2ncon2)cc1)c1cccc(O)c1[O-] ZINC001148219851 791711890 /nfs/dbraw/zinc/71/18/90/791711890.db2.gz BPOACISUGQCFPK-UHFFFAOYSA-N -1 3 311.297 2.078 20 10 DECDHM O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cccc(O)c1[O-] ZINC001148218938 791712314 /nfs/dbraw/zinc/71/23/14/791712314.db2.gz OPQUMDAVFFDZEG-UHFFFAOYSA-N -1 3 317.322 2.108 20 10 DECDHM O=C(N[C@@H]1CCCc2cccnc21)c1cc(O)c([O-])c(O)c1 ZINC001148589576 791778346 /nfs/dbraw/zinc/77/83/46/791778346.db2.gz CIZVGGPRNGYGAF-LLVKDONJSA-N -1 3 300.314 2.006 20 10 DECDHM COc1ccc(C(=O)NCc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC001178409336 794920801 /nfs/dbraw/zinc/92/08/01/794920801.db2.gz DJXLLMPFZXTWQP-UHFFFAOYSA-N -1 3 320.276 2.378 20 10 DECDHM COC(=O)c1ccc(/C=C/C(=O)NCc2c([O-])cccc2F)o1 ZINC001178413465 794922079 /nfs/dbraw/zinc/92/20/79/794922079.db2.gz SGBPPMZOOIFSOW-SOFGYWHQSA-N -1 3 319.288 2.241 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cc2c(cn1)OCCC2 ZINC001119642769 795332808 /nfs/dbraw/zinc/33/28/08/795332808.db2.gz DUXXTTIUALWYLR-UHFFFAOYSA-N -1 3 302.305 2.181 20 10 DECDHM COC[C@H]1COCCN1Cc1c([O-])cccc1Br ZINC001140103742 796477388 /nfs/dbraw/zinc/47/73/88/796477388.db2.gz SYXRUVIPIHCQIP-JTQLQIEISA-N -1 3 316.195 2.002 20 10 DECDHM Cn1ncc2c1CCN(Cc1c([O-])cccc1Br)C2 ZINC001140103326 796477511 /nfs/dbraw/zinc/47/75/11/796477511.db2.gz JZJBGRQIDLGCPC-UHFFFAOYSA-N -1 3 322.206 2.447 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CCN(c2cccnc2)CC1 ZINC001142508588 796746524 /nfs/dbraw/zinc/74/65/24/796746524.db2.gz DKTHAZYFLFVRIU-UHFFFAOYSA-N -1 3 305.328 2.388 20 10 DECDHM C[C@H]([N-]S(=O)(=O)c1ncc(F)cc1F)c1ccccc1O ZINC001190197212 796962009 /nfs/dbraw/zinc/96/20/09/796962009.db2.gz VPDKFDSTCNYXBN-QMMMGPOBSA-N -1 3 314.313 2.105 20 10 DECDHM Cn1cnc2c1CN(Cc1cc(Br)ccc1[O-])CC2 ZINC001203650303 800099215 /nfs/dbraw/zinc/09/92/15/800099215.db2.gz PITDMZFAUKCDGL-UHFFFAOYSA-N -1 3 322.206 2.447 20 10 DECDHM COc1cc([O-])c(CN2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC001232266674 801833440 /nfs/dbraw/zinc/83/34/40/801833440.db2.gz QYPHELGSSOSQEC-HNNXBMFYSA-N -1 3 313.781 2.046 20 10 DECDHM [O-]c1ccc(F)c(F)c1CN1CCCN(c2ncccn2)CC1 ZINC001233335496 802079363 /nfs/dbraw/zinc/07/93/63/802079363.db2.gz YAXASEHJIGHMOX-UHFFFAOYSA-N -1 3 320.343 2.173 20 10 DECDHM CCN1CC(Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226380145 803101229 /nfs/dbraw/zinc/10/12/29/803101229.db2.gz OCACJMVZRCKOLZ-UHFFFAOYSA-N -1 3 323.348 2.251 20 10 DECDHM C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC001599866279 989265037 /nfs/dbraw/zinc/26/50/37/989265037.db2.gz YCDPLWGNKOOCDZ-BZNIZROVSA-N -1 3 301.342 2.219 20 10 DECDHM C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC001599866279 989265045 /nfs/dbraw/zinc/26/50/45/989265045.db2.gz YCDPLWGNKOOCDZ-BZNIZROVSA-N -1 3 301.342 2.219 20 10 DECDHM C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220802 994316169 /nfs/dbraw/zinc/31/61/69/994316169.db2.gz VOORGTJXPVBINL-MWLCHTKSSA-N -1 3 314.332 2.080 20 10 DECDHM C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccns1 ZINC001603650561 1070019740 /nfs/dbraw/zinc/01/97/40/1070019740.db2.gz LBJSYMJSIRJRMX-DTWKUNHWSA-N -1 3 316.390 2.441 20 10 DECDHM C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604348672 1070345616 /nfs/dbraw/zinc/34/56/16/1070345616.db2.gz ATLZHUWIPQGUHQ-LLVKDONJSA-N -1 3 301.342 2.434 20 10 DECDHM COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604995479 1070558793 /nfs/dbraw/zinc/55/87/93/1070558793.db2.gz IXYAHMKSIKZDPQ-VHSXEESVSA-N -1 3 305.382 2.036 20 10 DECDHM CCOc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c([O-])c1 ZINC001605691063 1070841836 /nfs/dbraw/zinc/84/18/36/1070841836.db2.gz UQFOYONSKTZUAE-CQSZACIVSA-N -1 3 305.374 2.478 20 10 DECDHM COc1cccc([C@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])c1 ZINC001607332039 1071412675 /nfs/dbraw/zinc/41/26/75/1071412675.db2.gz SWAKOZZIFAOFKB-HNNXBMFYSA-N -1 3 305.305 2.455 20 10 DECDHM NC(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)c(F)c1 ZINC001476208082 1061073914 /nfs/dbraw/zinc/07/39/14/1061073914.db2.gz GBGJMAKZLORIDG-UHFFFAOYSA-N -1 3 321.283 2.091 20 10 DECDHM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1cccc(O)c1[O-] ZINC001618185423 1078152495 /nfs/dbraw/zinc/15/24/95/1078152495.db2.gz IOGFAUPCSKYJCS-UHFFFAOYSA-N -1 3 314.276 2.274 20 10 DECDHM COCc1nnc2n1CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001621427452 1078174289 /nfs/dbraw/zinc/17/42/89/1078174289.db2.gz LPCRSRHHIGRABI-UHFFFAOYSA-N -1 3 322.796 2.108 20 10 DECDHM O=C(NCc1c([O-])cccc1F)C1(c2ccccc2)CC(=O)C1 ZINC001635366967 1078448944 /nfs/dbraw/zinc/44/89/44/1078448944.db2.gz UBZKDNAROADJTP-UHFFFAOYSA-N -1 3 313.328 2.448 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc(-c2cn[nH]c2)cn1 ZINC001638866826 1078584701 /nfs/dbraw/zinc/58/47/01/1078584701.db2.gz OQDJXOXTLZMDOV-UHFFFAOYSA-N -1 3 312.304 2.246 20 10 DECDHM COC[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(OC)c1 ZINC001640011245 1078636365 /nfs/dbraw/zinc/63/63/65/1078636365.db2.gz HLOQLNYBCPSPLU-AWEZNQCLSA-N -1 3 317.341 2.224 20 10 DECDHM C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc(O)c1[O-] ZINC001566701069 1075320269 /nfs/dbraw/zinc/32/02/69/1075320269.db2.gz SUPKVDQQWAGVJL-JOYOIKCWSA-N -1 3 307.371 2.401 20 10 DECDHM CCSCCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590853645 1076685355 /nfs/dbraw/zinc/68/53/55/1076685355.db2.gz UZCIIGIXXKBBJU-JTQLQIEISA-N -1 3 307.423 2.366 20 10 DECDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Sc1nccs1 ZINC001593483295 1077010415 /nfs/dbraw/zinc/01/04/15/1077010415.db2.gz NMGZKSOPVQXJSQ-UHFFFAOYSA-N -1 3 306.332 2.383 20 10 DECDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Sc1nccs1 ZINC001593483295 1077010420 /nfs/dbraw/zinc/01/04/20/1077010420.db2.gz NMGZKSOPVQXJSQ-UHFFFAOYSA-N -1 3 306.332 2.383 20 10 DECDHM C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781271 1077922717 /nfs/dbraw/zinc/92/27/17/1077922717.db2.gz WTKVDUQWUYCGEX-ZETOZRRWSA-N -1 3 304.390 2.224 20 10 DECDHM CNC(=O)N(C)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001651065050 1079787556 /nfs/dbraw/zinc/78/75/56/1079787556.db2.gz HMQDCMSKUJQBQO-UHFFFAOYSA-N -1 3 315.329 2.126 20 10 DECDHM C[C@@H]([NH2+]CC(=O)[N-]OCc1ccccc1)c1ccccc1[O-] ZINC001655349756 1079995046 /nfs/dbraw/zinc/99/50/46/1079995046.db2.gz RNNZVMLNVCWJMV-CYBMUJFWSA-N -1 3 300.358 2.291 20 10 DECDHM COC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(Cl)cc1[O-] ZINC001659997216 1080259324 /nfs/dbraw/zinc/25/93/24/1080259324.db2.gz TXJRBASFMPMFLU-OLZOCXBDSA-N -1 3 313.781 2.246 20 10 DECDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H]1CO ZINC001235293155 1084375073 /nfs/dbraw/zinc/37/50/73/1084375073.db2.gz FUHDFYRFMTZWQO-JTQLQIEISA-N -1 3 304.159 2.251 20 10 DECDHM [O-]c1cccc(Cl)c1CN1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275217567 1091620452 /nfs/dbraw/zinc/62/04/52/1091620452.db2.gz UCRFOSMCWOWBGX-UHFFFAOYSA-N -1 3 318.808 2.087 20 10 DECDHM COc1cc([O-])c(CN2CCc3c(ncn3C)C2)c(Cl)c1 ZINC001236807268 1138435304 /nfs/dbraw/zinc/43/53/04/1138435304.db2.gz DVXDMTDILFSXTK-UHFFFAOYSA-N -1 3 307.781 2.346 20 10 DECDHM COc1cc(CCO)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001297228754 1139852899 /nfs/dbraw/zinc/85/28/99/1139852899.db2.gz FCBFCIRNXFYRES-UHFFFAOYSA-N -1 3 317.341 2.202 20 10 DECDHM CN(c1c([O-])cccc1F)S(=O)(=O)CCc1ccc(N)cc1 ZINC001249996008 1142067332 /nfs/dbraw/zinc/06/73/32/1142067332.db2.gz DFUNOAXXKQHEIS-UHFFFAOYSA-N -1 3 324.377 2.122 20 10 DECDHM Cc1cccc(F)c1S(=O)(=O)NCc1c([O-])cccc1F ZINC001309879273 1147508780 /nfs/dbraw/zinc/50/87/80/1147508780.db2.gz NVFCZMYWSRGYTI-UHFFFAOYSA-N -1 3 313.325 2.457 20 10 DECDHM CCCOc1ccc(CN2CCNC(=O)[C@H]2C(C)C)c([O-])c1 ZINC000093055284 193199136 /nfs/dbraw/zinc/19/91/36/193199136.db2.gz XWSKOBRPCNOUKX-MRXNPFEDSA-N -1 3 306.406 2.137 20 10 DECDHM Cc1ccc(C(=O)NCC(=O)OC2CCCCC2)c([O-])c1O ZINC000272712512 130057292 /nfs/dbraw/zinc/05/72/92/130057292.db2.gz FGMCIZSMNYTQCY-UHFFFAOYSA-N -1 3 307.346 2.012 20 10 DECDHM Cc1ccc(C(=O)N[C@@H](C)C(=O)OC2CCCC2)c([O-])c1O ZINC000272777622 130062239 /nfs/dbraw/zinc/06/22/39/130062239.db2.gz UGJOHWSIOJNWJB-JTQLQIEISA-N -1 3 307.346 2.010 20 10 DECDHM O=C(C1CC1)N1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000119092844 401925424 /nfs/dbraw/zinc/92/54/24/401925424.db2.gz PVACPWVYLBNRRB-UHFFFAOYSA-N -1 3 308.809 2.490 20 10 DECDHM CCCOc1ccc(CN(CC)CCS(C)(=O)=O)c([O-])c1 ZINC000093816163 402020994 /nfs/dbraw/zinc/02/09/94/402020994.db2.gz OMIFUTQWERVQAR-UHFFFAOYSA-N -1 3 315.435 2.048 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN(CC(N)=O)CC(C)C)c1[O-] ZINC000050146235 402026178 /nfs/dbraw/zinc/02/61/78/402026178.db2.gz NOFAKPWDMIZPGU-UHFFFAOYSA-N -1 3 312.797 2.192 20 10 DECDHM CN(CC(=O)N1CCc2sccc2C1)Cc1ccccc1[O-] ZINC000109773644 402276218 /nfs/dbraw/zinc/27/62/18/402276218.db2.gz WFQCXSGNCJPZRB-UHFFFAOYSA-N -1 3 316.426 2.470 20 10 DECDHM CCC[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000184700449 402293217 /nfs/dbraw/zinc/29/32/17/402293217.db2.gz XXTVSYAQPURVHM-LBPRGKRZSA-N -1 3 312.797 2.155 20 10 DECDHM COc1cc(Cl)cc(CN2CCCC3(C2)OCCO3)c1[O-] ZINC000184723020 402294857 /nfs/dbraw/zinc/29/48/57/402294857.db2.gz PYAWBGHMMJESDX-UHFFFAOYSA-N -1 3 313.781 2.393 20 10 DECDHM CCN(C)C(=O)CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000186809066 402465812 /nfs/dbraw/zinc/46/58/12/402465812.db2.gz ALTMTPSERPDIBM-SECBINFHSA-N -1 3 315.211 2.284 20 10 DECDHM COc1cc(Cl)cc(CN2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000187533602 402503592 /nfs/dbraw/zinc/50/35/92/402503592.db2.gz LCAOMXIIBPRZNG-HNNXBMFYSA-N -1 3 313.781 2.046 20 10 DECDHM Cc1ccc(C(=O)NC[C@](C)(O)c2ccsc2)c([O-])c1O ZINC000179528651 402593717 /nfs/dbraw/zinc/59/37/17/402593717.db2.gz ZTUSTFFPDPHTRF-HNNXBMFYSA-N -1 3 307.371 2.105 20 10 DECDHM COC(=O)[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000191843242 402695277 /nfs/dbraw/zinc/69/52/77/402695277.db2.gz CULDMOCXPAUHEJ-HZMBPMFUSA-N -1 3 323.364 2.365 20 10 DECDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1n1ccnc1 ZINC000193133443 402766537 /nfs/dbraw/zinc/76/65/37/402766537.db2.gz KTFGTUYHCNTHGR-YPMHNXCESA-N -1 3 301.346 2.018 20 10 DECDHM C[C@@H]1CCNC(=O)[C@@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000193700542 402775960 /nfs/dbraw/zinc/77/59/60/402775960.db2.gz VJGXZDILKXXHMT-RDDDGLTNSA-N -1 3 303.189 2.313 20 10 DECDHM COC(=O)[C@]1(F)CCN(Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000271821287 402884355 /nfs/dbraw/zinc/88/43/55/402884355.db2.gz NHTAMWSAWMFEIP-AWEZNQCLSA-N -1 3 301.745 2.441 20 10 DECDHM CCCOc1ccc(CN2CC(=O)N(CC3CC3)C2)c([O-])c1 ZINC000279388380 402937368 /nfs/dbraw/zinc/93/73/68/402937368.db2.gz JZYSMKWUGGHPLE-UHFFFAOYSA-N -1 3 304.390 2.193 20 10 DECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](CO)C2)c1[O-] ZINC000269344844 403132233 /nfs/dbraw/zinc/13/22/33/403132233.db2.gz HTTADFWTEXAUBV-SECBINFHSA-N -1 3 300.742 2.158 20 10 DECDHM CCCOc1ccc(CN2CC[S@@](=O)C[C@H](C)C2)c([O-])c1 ZINC000277572749 403232209 /nfs/dbraw/zinc/23/22/09/403232209.db2.gz SSNMIXYMOOGBJN-LRTDBIEQSA-N -1 3 311.447 2.381 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@@H](OCC3CC3)C2)c([O-])c1O ZINC000372367156 227088754 /nfs/dbraw/zinc/08/87/54/227088754.db2.gz OCDSLBRVLINVAR-CYBMUJFWSA-N -1 3 305.374 2.437 20 10 DECDHM [O-]c1ccc(Cl)cc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000378350884 227211756 /nfs/dbraw/zinc/21/17/56/227211756.db2.gz UYWDKFDIWADKSE-GDBMZVCRSA-N -1 3 310.825 2.077 20 10 DECDHM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([O-])c1O ZINC000378569281 227219070 /nfs/dbraw/zinc/21/90/70/227219070.db2.gz YZXOKBWAFXLKGT-KCPJHIHWSA-N -1 3 305.374 2.340 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC(N(C)C(C)=O)CC2)c1[O-] ZINC000079403130 275501935 /nfs/dbraw/zinc/50/19/35/275501935.db2.gz SOIHHPVTLGRISM-UHFFFAOYSA-N -1 3 322.380 2.177 20 10 DECDHM CC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)C(F)(F)F ZINC000270776433 280190574 /nfs/dbraw/zinc/19/05/74/280190574.db2.gz BQSSDUCNYRLWKF-MWLCHTKSSA-N -1 3 308.256 2.092 20 10 DECDHM Cc1nc2n(n1)CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000371328099 534696960 /nfs/dbraw/zinc/69/69/60/534696960.db2.gz RXOAHLAPHOLTGD-UHFFFAOYSA-N -1 3 323.194 2.070 20 10 DECDHM CN1CCc2cc(C=Cc3ccc(-c4nnn[n-]4)cn3)ccc21 ZINC000826045536 607681125 /nfs/dbraw/zinc/68/11/25/607681125.db2.gz YFXGOCUWGUWGNY-DJWKRKHSSA-N -1 3 304.357 2.424 20 10 DECDHM CN1CCc2cc(C=Cc3ccc(-c4nn[n-]n4)cn3)ccc21 ZINC000826045536 607681127 /nfs/dbraw/zinc/68/11/27/607681127.db2.gz YFXGOCUWGUWGNY-DJWKRKHSSA-N -1 3 304.357 2.424 20 10 DECDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCO2 ZINC000825961467 607927339 /nfs/dbraw/zinc/92/73/39/607927339.db2.gz GBICSVORPDDUKT-UHFFFAOYSA-N -1 3 309.329 2.232 20 10 DECDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2 ZINC000825961467 607927340 /nfs/dbraw/zinc/92/73/40/607927340.db2.gz GBICSVORPDDUKT-UHFFFAOYSA-N -1 3 309.329 2.232 20 10 DECDHM [O-]c1c(Br)cccc1CN1CC[C@H](n2cncn2)C1 ZINC000777220374 633127608 /nfs/dbraw/zinc/12/76/08/633127608.db2.gz HWBBVOIXPLIFHU-NSHDSACASA-N -1 3 323.194 2.193 20 10 DECDHM COc1ccc(C(=O)NCc2cc(OC)ccc2O)c([O-])c1 ZINC000734016348 633315822 /nfs/dbraw/zinc/31/58/22/633315822.db2.gz KITGMVMGTFFJGL-UHFFFAOYSA-N -1 3 303.314 2.045 20 10 DECDHM C[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)c2nccn21 ZINC000922743488 636373475 /nfs/dbraw/zinc/37/34/75/636373475.db2.gz JLHKKPSHBHHFDI-JOYOIKCWSA-N -1 3 304.325 2.233 20 10 DECDHM COCCO[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894672746 637157117 /nfs/dbraw/zinc/15/71/17/637157117.db2.gz WERRDNZBPTYZHX-CYBMUJFWSA-N -1 3 301.333 2.298 20 10 DECDHM C[C@H](C(=O)NCc1c([O-])cccc1F)N(C)CC(F)(F)F ZINC000928709199 639487865 /nfs/dbraw/zinc/48/78/65/639487865.db2.gz YFKJIPDJWNKYJF-MRVPVSSYSA-N -1 3 308.275 2.030 20 10 DECDHM C[C@@H]1CC2(CC(NC(=O)NCc3c([O-])cccc3F)C2)CO1 ZINC000897790454 640934241 /nfs/dbraw/zinc/93/42/41/640934241.db2.gz VNXYNRPIDXOZIG-VHTNMKBUSA-N -1 3 308.353 2.288 20 10 DECDHM COc1c([O-])c(CN2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775097980 642006578 /nfs/dbraw/zinc/00/65/78/642006578.db2.gz MZYHPYDOKTVONP-GARJFASQSA-N -1 3 310.350 2.307 20 10 DECDHM CC(=O)N(C)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000776342513 642160313 /nfs/dbraw/zinc/16/03/13/642160313.db2.gz DGNCLNKTWIXMFR-UHFFFAOYSA-N -1 3 300.314 2.333 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2ccsc2)CC1 ZINC000790484998 643858250 /nfs/dbraw/zinc/85/82/50/643858250.db2.gz XLJVNAVXXHOZLQ-UHFFFAOYSA-N -1 3 318.398 2.117 20 10 DECDHM COCCN(Cc1cccs1)C(=O)c1cccc(O)c1[O-] ZINC000790883444 643906159 /nfs/dbraw/zinc/90/61/59/643906159.db2.gz YCGLOZXKNYZCJL-UHFFFAOYSA-N -1 3 307.371 2.448 20 10 DECDHM CC(C)(CS(C)(=O)=O)NCc1c([O-])ccc(Cl)c1F ZINC000792174986 644083863 /nfs/dbraw/zinc/08/38/63/644083863.db2.gz LJTQBKWGLXPKDY-UHFFFAOYSA-N -1 3 309.790 2.098 20 10 DECDHM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000804483905 645779664 /nfs/dbraw/zinc/77/96/64/645779664.db2.gz JKDJWGGVMUWSRW-NHYWBVRUSA-N -1 3 301.342 2.258 20 10 DECDHM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1cccc(O)c1[O-] ZINC000843962088 651056001 /nfs/dbraw/zinc/05/60/01/651056001.db2.gz WGDZSQFKLNNVFH-SFHVURJKSA-N -1 3 313.353 2.004 20 10 DECDHM CN(Cc1cc(Cl)c(F)cc1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000816514263 647145567 /nfs/dbraw/zinc/14/55/67/647145567.db2.gz RJAVGQMYWGYVLU-VIFPVBQESA-N -1 3 321.801 2.051 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)nc2)c([O-])c1O ZINC000181849902 648770419 /nfs/dbraw/zinc/77/04/19/648770419.db2.gz COMGQCPSZGSEPF-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM COCc1ccnc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000846117359 651309001 /nfs/dbraw/zinc/30/90/01/651309001.db2.gz NUIHELRTGBLZKG-UHFFFAOYSA-N -1 3 319.317 2.463 20 10 DECDHM CC[C@@]1(C)CCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846248251 651317980 /nfs/dbraw/zinc/31/79/80/651317980.db2.gz VJVRXAPGYYWNRC-INIZCTEOSA-N -1 3 318.377 2.145 20 10 DECDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)C1CCCC1 ZINC000849308764 651645783 /nfs/dbraw/zinc/64/57/83/651645783.db2.gz VOWHFNUELYCGMV-CQSZACIVSA-N -1 3 317.382 2.478 20 10 DECDHM Cc1nnc([C@@H](C)NCc2cccc(Br)c2[O-])[nH]1 ZINC000392447999 685449016 /nfs/dbraw/zinc/44/90/16/685449016.db2.gz FGGLDYNYWNLXMH-SSDOTTSWSA-N -1 3 311.183 2.432 20 10 DECDHM CCOC(=O)CN(C)Cc1cc(Br)ccc1[O-] ZINC000128530801 684171822 /nfs/dbraw/zinc/17/18/22/684171822.db2.gz JFUHXYHNWPIMFY-UHFFFAOYSA-N -1 3 302.168 2.150 20 10 DECDHM CCCCN(CC(N)=O)Cc1cccc(Br)c1[O-] ZINC000132868730 684213860 /nfs/dbraw/zinc/21/38/60/684213860.db2.gz UUKVOKBIFYGDAF-UHFFFAOYSA-N -1 3 315.211 2.242 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000928708340 693831047 /nfs/dbraw/zinc/83/10/47/693831047.db2.gz JXQVJKMFEFFQHH-VIFPVBQESA-N -1 3 320.286 2.032 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000928710179 693831134 /nfs/dbraw/zinc/83/11/34/693831134.db2.gz PJVYVAPAOSMFCW-QGGXVJLZSA-N -1 3 315.344 2.240 20 10 DECDHM CN1C(=O)CCc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC000189343126 684378530 /nfs/dbraw/zinc/37/85/30/684378530.db2.gz XPKYQVUQQLCCNC-UHFFFAOYSA-N -1 3 312.325 2.259 20 10 DECDHM Cn1c(NC(=O)c2cccc(O)c2[O-])nc2cc(F)ccc21 ZINC000193108126 685032788 /nfs/dbraw/zinc/03/27/88/685032788.db2.gz YOVCTFDIVXTSPM-UHFFFAOYSA-N -1 3 301.277 2.376 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1cnc2c(c1)COCC2 ZINC000930753185 694233088 /nfs/dbraw/zinc/23/30/88/694233088.db2.gz LAOXSOKZHZNWQU-UHFFFAOYSA-N -1 3 317.320 2.321 20 10 DECDHM COC1(CS(=O)(=O)Nc2ccc([O-])c(Cl)c2)CCC1 ZINC000872361986 688987922 /nfs/dbraw/zinc/98/79/22/688987922.db2.gz ZFZIRVPPPWTKPH-UHFFFAOYSA-N -1 3 305.783 2.356 20 10 DECDHM Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CCCOC2)c([O-])c1O ZINC000890335058 692915550 /nfs/dbraw/zinc/91/55/50/692915550.db2.gz UVNXRLHGQCJRBF-LLVKDONJSA-N -1 3 317.345 2.207 20 10 DECDHM COC(=O)c1cnc(NC(=O)c2cccc(O)c2[O-])c(Cl)c1 ZINC001148212951 791710104 /nfs/dbraw/zinc/71/01/04/791710104.db2.gz QWPIDYBFGWGFQQ-UHFFFAOYSA-N -1 3 322.704 2.185 20 10 DECDHM Cc1sc(NC(=O)c2cccc(O)c2[O-])c(C(N)=O)c1C ZINC001148212783 791711350 /nfs/dbraw/zinc/71/13/50/791711350.db2.gz MBKGOCOZDTVJAM-UHFFFAOYSA-N -1 3 306.343 2.127 20 10 DECDHM O=C(N[C@@H](c1ccccc1)c1cccnn1)c1cccc(O)c1[O-] ZINC001148225097 791713853 /nfs/dbraw/zinc/71/38/53/791713853.db2.gz FDRARLRTFGJLSS-INIZCTEOSA-N -1 3 321.336 2.407 20 10 DECDHM O=C(NCc1cccc(C(F)(F)F)n1)c1cccc(O)c1[O-] ZINC001148225037 791714931 /nfs/dbraw/zinc/71/49/31/791714931.db2.gz CKRMNCBTCZOBSI-UHFFFAOYSA-N -1 3 312.247 2.442 20 10 DECDHM O=C(NCc1cncc2ccccc21)c1cc(O)c([O-])c(O)c1 ZINC001148590117 791778451 /nfs/dbraw/zinc/77/84/51/791778451.db2.gz BTOTZTWTIQVLCE-UHFFFAOYSA-N -1 3 310.309 2.282 20 10 DECDHM O=C(N[C@H](c1ccnc(F)c1)C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590041 791778563 /nfs/dbraw/zinc/77/85/63/791778563.db2.gz AAWKXCHHHUMIAX-AWEZNQCLSA-N -1 3 318.304 2.219 20 10 DECDHM Cc1cc2c(cccc2NC(=O)c2cc(O)c([O-])c(O)c2)nn1 ZINC001148587775 791778792 /nfs/dbraw/zinc/77/87/92/791778792.db2.gz MBAQEBFTUQBXOZ-UHFFFAOYSA-N -1 3 311.297 2.307 20 10 DECDHM CC(C)NC(=O)CN(C)Cc1ccc(Br)cc1[O-] ZINC000691781578 794458445 /nfs/dbraw/zinc/45/84/45/794458445.db2.gz WBOLLIKHJXXQFI-UHFFFAOYSA-N -1 3 315.211 2.111 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cnc(C(F)(F)F)nc1 ZINC001178413703 794922207 /nfs/dbraw/zinc/92/22/07/794922207.db2.gz WXDBWTYHEDODHA-UHFFFAOYSA-N -1 3 315.226 2.270 20 10 DECDHM COC[C@@H]1COCCN1Cc1c([O-])cccc1Br ZINC001140103743 796477661 /nfs/dbraw/zinc/47/76/61/796477661.db2.gz SYXRUVIPIHCQIP-SNVBAGLBSA-N -1 3 316.195 2.002 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](Oc2ncccn2)C1 ZINC001142530307 796748140 /nfs/dbraw/zinc/74/81/40/796748140.db2.gz CJEJXBJDZBDBCG-NSHDSACASA-N -1 3 307.300 2.114 20 10 DECDHM O=S(=O)(Cc1cccc(F)c1F)[N-]c1ccc(O)cc1O ZINC001189417526 796826705 /nfs/dbraw/zinc/82/67/05/796826705.db2.gz RSOQLYJJMUBHSC-UHFFFAOYSA-N -1 3 315.297 2.318 20 10 DECDHM [O-]c1ccc(Br)cc1CN1C[C@H](F)C[C@H](CO)C1 ZINC001203635642 800096701 /nfs/dbraw/zinc/09/67/01/800096701.db2.gz BVUDITBFRVHXJO-JOYOIKCWSA-N -1 3 318.186 2.307 20 10 DECDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(-n3cccn3)nc2)no1 ZINC001215145661 801811635 /nfs/dbraw/zinc/81/16/35/801811635.db2.gz ANISGIPQVGNTNG-UHFFFAOYSA-N -1 3 321.296 2.396 20 10 DECDHM COc1cc([O-])c(CN2CCCC3(C2)OCCO3)cc1Cl ZINC001232269229 801835379 /nfs/dbraw/zinc/83/53/79/801835379.db2.gz UDGUVVKTCNRADE-UHFFFAOYSA-N -1 3 313.781 2.393 20 10 DECDHM [O-]c1c(CN2CC[C@H](Oc3ncccn3)C2)ccc(F)c1F ZINC001233079644 802022933 /nfs/dbraw/zinc/02/29/33/802022933.db2.gz IOPIURJILKUHTO-NSHDSACASA-N -1 3 307.300 2.114 20 10 DECDHM [O-]c1c(CN2C[C@@H]3COC[C@H](C2)C3(F)F)ccc(F)c1F ZINC001233078278 802023394 /nfs/dbraw/zinc/02/33/94/802023394.db2.gz OSDAUDRDUZUJNB-AOOOYVTPSA-N -1 3 305.271 2.384 20 10 DECDHM O=C1CCCC2(CCN(Cc3c([O-])ccc(F)c3F)CC2)N1 ZINC001233333654 802079681 /nfs/dbraw/zinc/07/96/81/802079681.db2.gz CZOJKKIPWKOIRN-UHFFFAOYSA-N -1 3 310.344 2.305 20 10 DECDHM CCCC(=O)c1cc(O)c([O-])cc1OCCN1CC[C@@H](OC)C1 ZINC001233495713 802134079 /nfs/dbraw/zinc/13/40/79/802134079.db2.gz KNWWANMIBXPSKX-GFCCVEGCSA-N -1 3 323.389 2.180 20 10 DECDHM COc1cccc([O-])c1C[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001599680477 994972273 /nfs/dbraw/zinc/97/22/73/994972273.db2.gz SQBWSYTWLAXHFV-SJKOYZFVSA-N -1 3 305.374 2.478 20 10 DECDHM COc1cccc([O-])c1C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001599680477 994972280 /nfs/dbraw/zinc/97/22/80/994972280.db2.gz SQBWSYTWLAXHFV-SJKOYZFVSA-N -1 3 305.374 2.478 20 10 DECDHM COc1cc(C)c(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c([O-])c1 ZINC001599391269 997041365 /nfs/dbraw/zinc/04/13/65/997041365.db2.gz OHHSUWCVJRHPDX-CQSZACIVSA-N -1 3 305.374 2.396 20 10 DECDHM CC[C@H](C[C@@H](C)O)[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604014492 1070175763 /nfs/dbraw/zinc/17/57/63/1070175763.db2.gz ABAGMXUMMGIBCT-GYSYKLTISA-N -1 3 319.409 2.163 20 10 DECDHM CN(C)c1ccc(CN2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC001604704196 1070472159 /nfs/dbraw/zinc/47/21/59/1070472159.db2.gz HYSMOFFSZAMYFP-UHFFFAOYSA-N -1 3 320.400 2.495 20 10 DECDHM CN(C)c1ccc(CN2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC001604704196 1070472164 /nfs/dbraw/zinc/47/21/64/1070472164.db2.gz HYSMOFFSZAMYFP-UHFFFAOYSA-N -1 3 320.400 2.495 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1c1cccc(F)c1 ZINC001470147785 1060057974 /nfs/dbraw/zinc/05/79/74/1060057974.db2.gz NXQPTBXKTZBGGM-CQSZACIVSA-N -1 3 317.316 2.451 20 10 DECDHM O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1c([O-])cccc1F ZINC001471975199 1060352122 /nfs/dbraw/zinc/35/21/22/1060352122.db2.gz SYRBKIFNXNVKDD-UHFFFAOYSA-N -1 3 304.277 2.298 20 10 DECDHM COC(=O)c1cccc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC001476831086 1061120158 /nfs/dbraw/zinc/12/01/58/1061120158.db2.gz OWRPBSGWBDCVCH-UHFFFAOYSA-N -1 3 319.292 2.035 20 10 DECDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1cnncc1[O-] ZINC001627210561 1078272269 /nfs/dbraw/zinc/27/22/69/1078272269.db2.gz UVJJOOYFVAWQBJ-UHFFFAOYSA-N -1 3 312.373 2.103 20 10 DECDHM O=C(c1cccc(O)c1[O-])N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC001628485579 1078298791 /nfs/dbraw/zinc/29/87/91/1078298791.db2.gz OXAXEHMTZDORJT-NEPJUHHUSA-N -1 3 323.414 2.225 20 10 DECDHM C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590203873 1076582855 /nfs/dbraw/zinc/58/28/55/1076582855.db2.gz XEEXSDBEPCTWQQ-WRWGMCAJSA-N -1 3 317.393 2.179 20 10 DECDHM Oc1c(CNc2cccc(-c3nnn[n-]3)n2)ccc2cccnc21 ZINC001593539239 1077019088 /nfs/dbraw/zinc/01/90/88/1077019088.db2.gz VTNNHCWWAGVBNH-UHFFFAOYSA-N -1 3 319.328 2.128 20 10 DECDHM C[C@H](NCc1cccc(N(C)C)n1)c1cc(C(=O)[O-])ccc1O ZINC001609781002 1077922398 /nfs/dbraw/zinc/92/23/98/1077922398.db2.gz MBAYWDVLHRJMLX-NSHDSACASA-N -1 3 315.373 2.402 20 10 DECDHM Cc1nccnc1CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610565584 1078042885 /nfs/dbraw/zinc/04/28/85/1078042885.db2.gz UANGQBFWRZFNIB-SNVBAGLBSA-N -1 3 301.346 2.082 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC001652196620 1079857351 /nfs/dbraw/zinc/85/73/51/1079857351.db2.gz KVUAWTCMBCPLHR-OAHLLOKOSA-N -1 3 323.343 2.339 20 10 DECDHM [O-]c1c(F)cc(Br)cc1CN1CCN2CC[C@H]2C1 ZINC001235073337 1084298830 /nfs/dbraw/zinc/29/88/30/1084298830.db2.gz ACPNHPCNASJHPU-NSHDSACASA-N -1 3 315.186 2.184 20 10 DECDHM Cn1ccc(NCc2cc(Br)ccc2[O-])cc1=O ZINC001171175040 1091736495 /nfs/dbraw/zinc/73/64/95/1091736495.db2.gz GRZDOASGWQADAG-UHFFFAOYSA-N -1 3 309.163 2.466 20 10 DECDHM COc1ccc(N(C)C(=O)c2cccc(O)c2[O-])cc1OC ZINC001626136828 1093721426 /nfs/dbraw/zinc/72/14/26/1093721426.db2.gz UTEDILPKWDUBHH-UHFFFAOYSA-N -1 3 303.314 2.392 20 10 DECDHM C[C@@]1(O)COCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236792609 1138430157 /nfs/dbraw/zinc/43/01/57/1138430157.db2.gz FUHQOUCYVZLLGN-ZDUSSCGKSA-N -1 3 306.189 2.282 20 10 DECDHM COc1cc([O-])c(CN2CCc3ncn(C)c3C2)c(Cl)c1 ZINC001236804824 1138433686 /nfs/dbraw/zinc/43/36/86/1138433686.db2.gz BDCFJYJZXQABHE-UHFFFAOYSA-N -1 3 307.781 2.346 20 10 DECDHM O=C1CC2(CN1)CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237804788 1138794808 /nfs/dbraw/zinc/79/48/08/1138794808.db2.gz GMFVYHPTGPFNKO-UHFFFAOYSA-N -1 3 312.772 2.287 20 10 DECDHM [O-]c1c(Cl)cc(F)cc1CN1CCC2(C[C@H](O)CO2)CC1 ZINC001237807454 1138797486 /nfs/dbraw/zinc/79/74/86/1138797486.db2.gz JAMZQTKKAYAJKX-LBPRGKRZSA-N -1 3 315.772 2.301 20 10 DECDHM O=C(Nc1cc(-c2nc[nH]n2)ccc1F)c1cccc(O)c1[O-] ZINC001297158536 1139847985 /nfs/dbraw/zinc/84/79/85/1139847985.db2.gz FTXUKWKDWUPZJZ-UHFFFAOYSA-N -1 3 314.276 2.274 20 10 DECDHM COCc1cnc(NC(=O)NCc2c([O-])cccc2F)s1 ZINC001310708409 1147521512 /nfs/dbraw/zinc/52/15/12/1147521512.db2.gz QUBGFNAWUAPYNS-UHFFFAOYSA-N -1 3 311.338 2.456 20 10 DECDHM O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc([O-])c1 ZINC000272878575 130070976 /nfs/dbraw/zinc/07/09/76/130070976.db2.gz XHRQEASEJUYFLK-UHFFFAOYSA-N -1 3 312.369 2.159 20 10 DECDHM CCc1ccc([C@H](O)CNC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000288269745 131318874 /nfs/dbraw/zinc/31/88/74/131318874.db2.gz KEFBDTKIKCPSNR-OAHLLOKOSA-N -1 3 315.369 2.432 20 10 DECDHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)c([O-])c1O ZINC000292521369 292049584 /nfs/dbraw/zinc/04/95/84/292049584.db2.gz BRDARQMIBARLGT-IUODEOHRSA-N -1 3 305.374 2.436 20 10 DECDHM COc1cc(Cl)cc(CN2CCC[C@@H]2C(=O)NC2CC2)c1[O-] ZINC000184680517 402291545 /nfs/dbraw/zinc/29/15/45/402291545.db2.gz SIYMKOKIVAKYSQ-CYBMUJFWSA-N -1 3 324.808 2.297 20 10 DECDHM CCCNC(=O)CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000184881994 402306742 /nfs/dbraw/zinc/30/67/42/402306742.db2.gz DOMMJKOINCSTRS-SECBINFHSA-N -1 3 315.211 2.332 20 10 DECDHM Cc1ccc(NCCCNC(=O)c2ccc(C)c(O)c2[O-])nc1 ZINC000179534882 402593995 /nfs/dbraw/zinc/59/39/95/402593995.db2.gz NNBSGBNSGPCKCC-UHFFFAOYSA-N -1 3 315.373 2.342 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC(O)(c2ccccc2)CC1 ZINC000193165291 402767945 /nfs/dbraw/zinc/76/79/45/402767945.db2.gz MXAMNONKPNVAPT-UHFFFAOYSA-N -1 3 313.353 2.222 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC(C3OCCO3)CC2)c1[O-] ZINC000175627082 402822887 /nfs/dbraw/zinc/82/28/87/402822887.db2.gz OAZRMKKTXYZQPO-UHFFFAOYSA-N -1 3 323.364 2.319 20 10 DECDHM COc1ncccc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278619509 402868944 /nfs/dbraw/zinc/86/89/44/402868944.db2.gz FPXZUGQMYVDIMC-UHFFFAOYSA-N -1 3 319.317 2.002 20 10 DECDHM CO[C@H](C)c1nc(CNC(=O)c2cccc(O)c2[O-])cs1 ZINC000279076883 402901568 /nfs/dbraw/zinc/90/15/68/402901568.db2.gz DQFGURMJGHUPIB-MRVPVSSYSA-N -1 3 308.359 2.192 20 10 DECDHM Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(=O)n1C ZINC000279525873 402951955 /nfs/dbraw/zinc/95/19/55/402951955.db2.gz OUBXSPUIINKRAK-LLVKDONJSA-N -1 3 317.345 2.158 20 10 DECDHM C[C@@H](CCNC(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000280378133 402993888 /nfs/dbraw/zinc/99/38/88/402993888.db2.gz DIKQVRBXJIVVCN-JTQLQIEISA-N -1 3 324.377 2.131 20 10 DECDHM CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280415610 402997270 /nfs/dbraw/zinc/99/72/70/402997270.db2.gz IGHLFQKGLGQTMP-NSHDSACASA-N -1 3 321.373 2.292 20 10 DECDHM COC(=O)[C@@H](C)N(C)Cc1cc(Br)ccc1[O-] ZINC000280203011 402974611 /nfs/dbraw/zinc/97/46/11/402974611.db2.gz BOBRYSBUEMUEPX-MRVPVSSYSA-N -1 3 302.168 2.148 20 10 DECDHM COc1cc(Cl)cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1[O-] ZINC000368962878 403917550 /nfs/dbraw/zinc/91/75/50/403917550.db2.gz FICCDEFMJCYFMU-MRCXROJRSA-N -1 3 324.808 2.140 20 10 DECDHM CN1CCC[C@@H](N2CCN(Cc3cccc(Cl)c3[O-])CC2)C1 ZINC000367718474 405134092 /nfs/dbraw/zinc/13/40/92/405134092.db2.gz HEGNJMMMRSDSQJ-OAHLLOKOSA-N -1 3 323.868 2.257 20 10 DECDHM C[C@H](NC(c1nccn1C)c1nccn1C)c1ccccc1[O-] ZINC000527948520 406793973 /nfs/dbraw/zinc/79/39/73/406793973.db2.gz TXLAAMZRKLXOOQ-LBPRGKRZSA-N -1 3 311.389 2.299 20 10 DECDHM [O-]c1cccc(Cl)c1CN1CCN(c2cnccn2)CC1 ZINC000157920911 526363897 /nfs/dbraw/zinc/36/38/97/526363897.db2.gz FLISKDWGEZRKRE-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM O=C1[C@@H](NCc2c([O-])ccc(Cl)c2F)C[C@H]2CCCCN12 ZINC000835072007 649875427 /nfs/dbraw/zinc/87/54/27/649875427.db2.gz BYXAZZBLSRWKFJ-SKDRFNHKSA-N -1 3 312.772 2.428 20 10 DECDHM C1=CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000735400543 598972446 /nfs/dbraw/zinc/97/24/46/598972446.db2.gz RRKGEUMIOZQRKB-UHFFFAOYSA-N -1 3 319.372 2.250 20 10 DECDHM C1=CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000735400543 598972448 /nfs/dbraw/zinc/97/24/48/598972448.db2.gz RRKGEUMIOZQRKB-UHFFFAOYSA-N -1 3 319.372 2.250 20 10 DECDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])N(C)c1ccccc1 ZINC000186936527 625411804 /nfs/dbraw/zinc/41/18/04/625411804.db2.gz COSIWGACSPGMDY-GFCCVEGCSA-N -1 3 300.358 2.353 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000189167774 625466143 /nfs/dbraw/zinc/46/61/43/625466143.db2.gz YZTNXXHZUPVNLO-VIFPVBQESA-N -1 3 302.286 2.497 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c([O-])c1O ZINC000177669828 625053699 /nfs/dbraw/zinc/05/36/99/625053699.db2.gz SYEBFDJIKOBIOD-UHFFFAOYSA-N -1 3 300.270 2.093 20 10 DECDHM COC(=O)C[C@@H]1CSCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894046581 636098617 /nfs/dbraw/zinc/09/86/17/636098617.db2.gz WPMZCILHCGRGSX-LLVKDONJSA-N -1 3 317.357 2.151 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000923973593 636758439 /nfs/dbraw/zinc/75/84/39/636758439.db2.gz QSPYBRKSPLADHP-JRPNMDOOSA-N -1 3 308.353 2.288 20 10 DECDHM C[C@H]1OCC[C@]12CN(Cc1cc(F)cc(F)c1[O-])C[C@@H](C)O2 ZINC000894598110 637126842 /nfs/dbraw/zinc/12/68/42/637126842.db2.gz USTKVLLOULIGFW-UVWXRNBGSA-N -1 3 313.344 2.439 20 10 DECDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](Nc2ncccn2)C1 ZINC000895072692 637491632 /nfs/dbraw/zinc/49/16/32/637491632.db2.gz CHIHXRWNKCLFKU-LBPRGKRZSA-N -1 3 306.316 2.147 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2ccn(C)n2)c1 ZINC000840818215 637775802 /nfs/dbraw/zinc/77/58/02/637775802.db2.gz XRDBWLWEEUTWES-QWRGUYRKSA-N -1 3 303.362 2.324 20 10 DECDHM CCS(=O)(=O)C1CN(Cc2ccc3ccccc3c2[O-])C1 ZINC000841886056 637944507 /nfs/dbraw/zinc/94/45/07/637944507.db2.gz KCWAMGILLRISMW-UHFFFAOYSA-N -1 3 305.399 2.164 20 10 DECDHM COC(=O)C[C@H]1COCCN1Cc1c([O-])cc(C)cc1Cl ZINC000840945334 650392545 /nfs/dbraw/zinc/39/25/45/650392545.db2.gz JNCSYDLMZXAQLC-NSHDSACASA-N -1 3 313.781 2.118 20 10 DECDHM CC(C)c1noc(CCC(=O)NCc2c([O-])cccc2F)n1 ZINC000928712552 639491658 /nfs/dbraw/zinc/49/16/58/639491658.db2.gz SOJCMEWMEJRCCJ-UHFFFAOYSA-N -1 3 307.325 2.287 20 10 DECDHM Cc1ccc(C(=O)N(C)c2ccc3c(c2)OCO3)c([O-])c1O ZINC000780996491 642701129 /nfs/dbraw/zinc/70/11/29/642701129.db2.gz WRHVNEKZNOQJEX-UHFFFAOYSA-N -1 3 301.298 2.412 20 10 DECDHM C[C@@H](CN1CCOCC1)N(C)Cc1c([O-])ccc(Cl)c1F ZINC000789764223 643772479 /nfs/dbraw/zinc/77/24/79/643772479.db2.gz VPLOTFOPIYWFKU-NSHDSACASA-N -1 3 316.804 2.337 20 10 DECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1OCCO ZINC000790926295 643909847 /nfs/dbraw/zinc/90/98/47/643909847.db2.gz KPKKADNJRZKZHI-UHFFFAOYSA-N -1 3 303.314 2.030 20 10 DECDHM O=S(=O)(C[C@H]1CCCOC1)Nc1ccc([O-])c(Cl)c1 ZINC000795342895 644556852 /nfs/dbraw/zinc/55/68/52/644556852.db2.gz DYGLVAPYKNSKCZ-VIFPVBQESA-N -1 3 305.783 2.214 20 10 DECDHM COc1cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)ccc1O ZINC000797820372 644927720 /nfs/dbraw/zinc/92/77/20/644927720.db2.gz UQTQBWNREBOYCQ-UHFFFAOYSA-N -1 3 322.386 2.268 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(N3CCC3=O)cc2)c([O-])c1O ZINC000799039194 645111775 /nfs/dbraw/zinc/11/17/75/645111775.db2.gz AXGJXRVWOHHIPX-UHFFFAOYSA-N -1 3 312.325 2.395 20 10 DECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CCN1CC(F)(F)F ZINC000809710923 646266720 /nfs/dbraw/zinc/26/67/20/646266720.db2.gz CYRKDPFOVFJZAD-UHFFFAOYSA-N -1 3 322.714 2.252 20 10 DECDHM C[C@@H](NCc1cn(C)nn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815615075 647035362 /nfs/dbraw/zinc/03/53/62/647035362.db2.gz HPYDSJMZCQBUHI-MRVPVSSYSA-N -1 3 300.284 2.390 20 10 DECDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501989 648598846 /nfs/dbraw/zinc/59/88/46/648598846.db2.gz VYBKUYWHMBNIBH-OCCSQVGLSA-N -1 3 314.788 2.090 20 10 DECDHM CO[C@]1(CO)CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826952478 648952423 /nfs/dbraw/zinc/95/24/23/648952423.db2.gz MMSOFOQCZCGAAF-CQSZACIVSA-N -1 3 303.761 2.158 20 10 DECDHM CC1(C(=O)NCc2c([O-])cccc2F)CCC2(CC1)OCCO2 ZINC000830180069 649405466 /nfs/dbraw/zinc/40/54/66/649405466.db2.gz GXHUPAOOZJLYLL-UHFFFAOYSA-N -1 3 323.364 2.471 20 10 DECDHM Cn1cc([C@@H]2CN(C(=O)c3cccc(O)c3[O-])CC2(C)C)cn1 ZINC000848155767 651441677 /nfs/dbraw/zinc/44/16/77/651441677.db2.gz LWBALKDRDWRYHW-ZDUSSCGKSA-N -1 3 315.373 2.097 20 10 DECDHM C[C@@H]1CC[C@@H](NCc2c([O-])ccc(Cl)c2F)CS1(=O)=O ZINC000850371370 651913636 /nfs/dbraw/zinc/91/36/36/651913636.db2.gz WYOWKQGKRDGANV-RKDXNWHRSA-N -1 3 321.801 2.240 20 10 DECDHM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928706163 693830180 /nfs/dbraw/zinc/83/01/80/693830180.db2.gz OKRLJQZEXGDILN-ONGXEEELSA-N -1 3 303.337 2.237 20 10 DECDHM CCc1nn(C)c(OC)c1CNCc1ccc(F)c(F)c1[O-] ZINC000877135202 690026892 /nfs/dbraw/zinc/02/68/92/690026892.db2.gz SUYXREUGFFBBNC-UHFFFAOYSA-N -1 3 311.332 2.265 20 10 DECDHM [O-]c1cc(F)c(Br)cc1CN1CC(C2COC2)C1 ZINC001144299492 790849364 /nfs/dbraw/zinc/84/93/64/790849364.db2.gz YFQMHGYFZCLZRQ-UHFFFAOYSA-N -1 3 316.170 2.372 20 10 DECDHM O=C(NCc1cc(F)cc2c1OCOC2)c1cccc(O)c1[O-] ZINC001148219933 791712681 /nfs/dbraw/zinc/71/26/81/791712681.db2.gz GRMSJXLKNCIIBT-UHFFFAOYSA-N -1 3 319.288 2.033 20 10 DECDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(N)n1 ZINC001148225302 791714756 /nfs/dbraw/zinc/71/47/56/791714756.db2.gz KJCFVKODFJJYSU-CQSZACIVSA-N -1 3 301.346 2.202 20 10 DECDHM Cc1cccc(C(C)(C)CNC(=O)c2cc(O)c([O-])c(O)c2)n1 ZINC001148590769 791778101 /nfs/dbraw/zinc/77/81/01/791778101.db2.gz OZXABKAMDTYRDV-UHFFFAOYSA-N -1 3 316.357 2.214 20 10 DECDHM O=C(Nc1cccc2c(=O)[nH]ccc12)c1cc(O)c([O-])c(O)c1 ZINC001148588119 791778650 /nfs/dbraw/zinc/77/86/50/791778650.db2.gz OSBNUPNBRMNHNB-UHFFFAOYSA-N -1 3 312.281 2.310 20 10 DECDHM COC(=O)c1cc(C)cc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001179483581 795122952 /nfs/dbraw/zinc/12/29/52/795122952.db2.gz ZGHNCXDUTRKICJ-UHFFFAOYSA-N -1 3 301.298 2.445 20 10 DECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC(N2CCCC2)C1 ZINC001139129294 796329477 /nfs/dbraw/zinc/32/94/77/796329477.db2.gz VAFGSLBJCFLSDO-UHFFFAOYSA-N -1 3 314.385 2.087 20 10 DECDHM CN1C[C@@]2(CC1=O)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001139681661 796409758 /nfs/dbraw/zinc/40/97/58/796409758.db2.gz 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ZINC001460984902 1058562918 /nfs/dbraw/zinc/56/29/18/1058562918.db2.gz GCZJZCGCVJCGLR-SECBINFHSA-N -1 3 318.352 2.211 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@]3(CCOC3=O)C2)c1[O-] ZINC001473900010 1060764950 /nfs/dbraw/zinc/76/49/50/1060764950.db2.gz VWYBZVJTSUJETA-INIZCTEOSA-N -1 3 323.776 2.387 20 10 DECDHM O=C(NCc1cnccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC001633530507 1078407182 /nfs/dbraw/zinc/40/71/82/1078407182.db2.gz ASQSLJIBFLQBLF-UHFFFAOYSA-N -1 3 312.247 2.442 20 10 DECDHM Cc1nc2c(nccc2C(=O)NCc2c([O-])cccc2F)[nH]1 ZINC001638866952 1078584550 /nfs/dbraw/zinc/58/45/50/1078584550.db2.gz VNQFUGBDQSZYGS-UHFFFAOYSA-N -1 3 300.293 2.041 20 10 DECDHM CN(C)c1cc(F)c(CNC[C@H](CC(=O)[O-])C(F)F)cc1F ZINC001329309671 1148883255 /nfs/dbraw/zinc/88/32/55/1148883255.db2.gz ANOFREBANKGKRZ-VIFPVBQESA-N -1 3 322.302 2.476 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1c2nc[nH]c2ccc1F ZINC001646038910 1079085900 /nfs/dbraw/zinc/08/59/00/1079085900.db2.gz JTXMGPXTACZQDA-UHFFFAOYSA-N -1 3 303.268 2.477 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(N)=O)c([O-])c1O ZINC001586827335 1076406552 /nfs/dbraw/zinc/40/65/52/1076406552.db2.gz BSTVOWDOMLTEDJ-UHFFFAOYSA-N -1 3 320.732 2.411 20 10 DECDHM CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591359489 1076733870 /nfs/dbraw/zinc/73/38/70/1076733870.db2.gz DBTUDPPCQTXZTQ-COPLHBTASA-N -1 3 317.393 2.038 20 10 DECDHM Cc1ccc(C[N@@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c([O-])c1 ZINC001600412188 1077196048 /nfs/dbraw/zinc/19/60/48/1077196048.db2.gz BZKMGHYOZSSKPF-GOSISDBHSA-N -1 3 319.401 2.282 20 10 DECDHM Cc1ccc(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c([O-])c1 ZINC001600412188 1077196050 /nfs/dbraw/zinc/19/60/50/1077196050.db2.gz BZKMGHYOZSSKPF-GOSISDBHSA-N -1 3 319.401 2.282 20 10 DECDHM CN1CCc2cc(C=Cc3ccncc3-c3nnn[n-]3)ccc21 ZINC001609285811 1077824511 /nfs/dbraw/zinc/82/45/11/1077824511.db2.gz YFNIZTIGQLJRCH-RQOWECAXSA-N -1 3 304.357 2.424 20 10 DECDHM CN1CCc2cc(C=Cc3ccncc3-c3nn[n-]n3)ccc21 ZINC001609285811 1077824515 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CC(C)(C)OC(=O)NCC1CN(Cc2c([O-])cccc2F)C1 ZINC001137832900 1086431212 /nfs/dbraw/zinc/43/12/12/1086431212.db2.gz LJRHSFPXCXHUEJ-UHFFFAOYSA-N -1 3 310.369 2.488 20 10 DECDHM CCn1cnnc1CNCc1c([O-])cccc1Br ZINC000706829176 1086651757 /nfs/dbraw/zinc/65/17/57/1086651757.db2.gz PAYKSODZBCLJKV-UHFFFAOYSA-N -1 3 311.183 2.056 20 10 DECDHM C[C@H]1[C@@H](CO)CCN1Cc1cc(Br)cc(F)c1[O-] ZINC001308724548 1147483749 /nfs/dbraw/zinc/48/37/49/1147483749.db2.gz SYCRNSGKNOPDKV-DTWKUNHWSA-N -1 3 318.186 2.497 20 10 DECDHM CO[C@@H]1[C@H](C)[C@H](NC(=O)NCc2c([O-])cccc2F)C1(C)C ZINC001312370741 1147549421 /nfs/dbraw/zinc/54/94/21/1147549421.db2.gz WYDSFXSNBXWAPZ-BIGNPOOSSA-N -1 3 310.369 2.390 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000186880983 296253930 /nfs/dbraw/zinc/25/39/30/296253930.db2.gz BZTSLNQXOBOPHY-OAHLLOKOSA-N -1 3 317.316 2.451 20 10 DECDHM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(Cl)ccc1[O-] ZINC000370365383 533549212 /nfs/dbraw/zinc/54/92/12/533549212.db2.gz 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403180853 /nfs/dbraw/zinc/18/08/53/403180853.db2.gz BGAMBHGAWWKIMM-MNOVXSKESA-N -1 3 310.369 2.087 20 10 DECDHM O=C(Nc1nnc(C2CCOCC2)s1)c1cccc(O)c1[O-] ZINC000294018754 403625413 /nfs/dbraw/zinc/62/54/13/403625413.db2.gz DZFCUAKPIVUHJU-UHFFFAOYSA-N -1 3 321.358 2.096 20 10 DECDHM C[C@H]1CCN(Cc2cc(Cl)ccc2[O-])CCS1(=O)=O ZINC000192049263 225123668 /nfs/dbraw/zinc/12/36/68/225123668.db2.gz QNIDZDJDDJJJRY-JTQLQIEISA-N -1 3 303.811 2.055 20 10 DECDHM C[C@H](NCc1n[nH]c(C2CC2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000296347185 335143673 /nfs/dbraw/zinc/14/36/73/335143673.db2.gz IDTVVJRYESCIBC-QMMMGPOBSA-N -1 3 303.322 2.147 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000368514621 518285485 /nfs/dbraw/zinc/28/54/85/518285485.db2.gz PMUJNUQUOFXHLC-CVEARBPZSA-N -1 3 323.364 2.114 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@]2(CO)CC(C)C)c([O-])c1O ZINC000191509652 526107955 /nfs/dbraw/zinc/10/79/55/526107955.db2.gz IJQSHLJMGFUUEK-QGZVFWFLSA-N -1 3 307.390 2.419 20 10 DECDHM Cc1ccc(C(=O)N2CCN(C)c3ccccc3C2)c([O-])c1O ZINC000267541935 526110435 /nfs/dbraw/zinc/11/04/35/526110435.db2.gz AKBVLKQKWSVIER-UHFFFAOYSA-N -1 3 312.369 2.498 20 10 DECDHM Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182483707 526533020 /nfs/dbraw/zinc/53/30/20/526533020.db2.gz OXZUQPNLFGPLMB-SECBINFHSA-N -1 3 304.346 2.372 20 10 DECDHM Cc1ccc(C(=O)Nc2nc(CN(C)C)cs2)c([O-])c1O ZINC000837264583 650179865 /nfs/dbraw/zinc/17/98/65/650179865.db2.gz BZZMAMOMRITTRK-UHFFFAOYSA-N -1 3 307.375 2.177 20 10 DECDHM Cc1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c(O)c1O ZINC000837486039 650204848 /nfs/dbraw/zinc/20/48/48/650204848.db2.gz VHXJLPVHWKQRKY-UHFFFAOYSA-N -1 3 316.313 2.136 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000921993014 635793775 /nfs/dbraw/zinc/79/37/75/635793775.db2.gz UZVBPDBIGJTWRS-NHYWBVRUSA-N -1 3 308.353 2.288 20 10 DECDHM CC(C)C(=O)N1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893968126 636077743 /nfs/dbraw/zinc/07/77/43/636077743.db2.gz 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/nfs/dbraw/zinc/99/87/05/640998705.db2.gz VUHDXLJCYWAFHQ-UHFFFAOYSA-N -1 3 310.195 2.486 20 10 DECDHM O=C(N1CCCC1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768227610 641060207 /nfs/dbraw/zinc/06/02/07/641060207.db2.gz RXAJTRAUFLEOEF-UHFFFAOYSA-N -1 3 323.824 2.379 20 10 DECDHM COC(=O)[C@H](COC(C)C)N(C)Cc1c([O-])cccc1Cl ZINC000770354850 641359423 /nfs/dbraw/zinc/35/94/23/641359423.db2.gz JCBBRUREIPAOCY-ZDUSSCGKSA-N -1 3 315.797 2.444 20 10 DECDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773088115 641727792 /nfs/dbraw/zinc/72/77/92/641727792.db2.gz MOTJKOYTFFCGQR-JTQLQIEISA-N -1 3 323.418 2.397 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCOC12CCCC2 ZINC000898746104 641769555 /nfs/dbraw/zinc/76/95/55/641769555.db2.gz HDAQKDDXWPFFAO-CQSZACIVSA-N -1 3 308.353 2.432 20 10 DECDHM CC(C)(O)CN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775675075 642077687 /nfs/dbraw/zinc/07/76/87/642077687.db2.gz RJFIFFSHEBPRIS-UHFFFAOYSA-N -1 3 316.804 2.073 20 10 DECDHM CN(Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000775714605 642084587 /nfs/dbraw/zinc/08/45/87/642084587.db2.gz UWILXQKHFUWNBO-VIFPVBQESA-N -1 3 321.801 2.051 20 10 DECDHM C[C@@H]1[C@H](C)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000775987294 642120658 /nfs/dbraw/zinc/12/06/58/642120658.db2.gz VIYGLMNLMSZLSJ-ZJUUUORDSA-N -1 3 313.785 2.478 20 10 DECDHM COc1ccc(COCCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000776358257 642161672 /nfs/dbraw/zinc/16/16/72/642161672.db2.gz DPAVAZHIEZRGJO-UHFFFAOYSA-N -1 3 317.341 2.053 20 10 DECDHM CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000776658562 642195523 /nfs/dbraw/zinc/19/55/23/642195523.db2.gz SKJLJLCCRNWSFR-UHFFFAOYSA-N -1 3 324.377 2.085 20 10 DECDHM CC[C@]1(O)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000779220070 642473666 /nfs/dbraw/zinc/47/36/66/642473666.db2.gz WLMZNNLTKMFSCW-ZDUSSCGKSA-N -1 3 300.742 2.301 20 10 DECDHM CN(C)c1nc2cc(NC(=O)c3cccc(O)c3[O-])ccc2[nH]1 ZINC000802619879 645536609 /nfs/dbraw/zinc/53/66/09/645536609.db2.gz NSSJPAJMOMEHJU-UHFFFAOYSA-N -1 3 312.329 2.292 20 10 DECDHM CC[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000809724866 646268630 /nfs/dbraw/zinc/26/86/30/646268630.db2.gz CFXQYXUJYQZRRY-MFKMUULPSA-N -1 3 317.838 2.443 20 10 DECDHM CC1(C)[C@H](O)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000812778261 646693965 /nfs/dbraw/zinc/69/39/65/646693965.db2.gz DKUXSRCPZMFKRK-LLVKDONJSA-N -1 3 300.742 2.299 20 10 DECDHM CNC(=O)Oc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000817022330 647214360 /nfs/dbraw/zinc/21/43/60/647214360.db2.gz GCJXGPPRJSCDSE-UHFFFAOYSA-N -1 3 302.286 2.068 20 10 DECDHM [O-]c1ccc(Cl)cc1C[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000848562777 651471127 /nfs/dbraw/zinc/47/11/27/651471127.db2.gz LVLAHSJUGZLUQI-GFCCVEGCSA-N -1 3 308.769 2.305 20 10 DECDHM CCS(=O)(=O)C1(CNCc2c([O-])ccc(Cl)c2F)CC1 ZINC000850397530 651920183 /nfs/dbraw/zinc/92/01/83/651920183.db2.gz HIYQDROMERDDCZ-UHFFFAOYSA-N -1 3 321.801 2.242 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC3=C(CCC(=O)N3)C2)c1[O-] ZINC000852299699 652380415 /nfs/dbraw/zinc/38/04/15/652380415.db2.gz YTLKCFSXLQIEOD-UHFFFAOYSA-N -1 3 318.348 2.104 20 10 DECDHM C[C@@H](C[S@@](C)=O)N(C)Cc1cccc(Br)c1[O-] ZINC000130976238 684194598 /nfs/dbraw/zinc/19/45/98/684194598.db2.gz AAQNXZLLFORWPR-XYZCENFISA-N -1 3 320.252 2.354 20 10 DECDHM COc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1F ZINC000193017377 684463020 /nfs/dbraw/zinc/46/30/20/684463020.db2.gz UTTABWHJJJCJLO-UHFFFAOYSA-N -1 3 305.305 2.218 20 10 DECDHM [O-]c1cccc(Br)c1CN1C[C@H](O)CC(F)(F)C1 ZINC000862338912 686278930 /nfs/dbraw/zinc/27/89/30/686278930.db2.gz HCUSGKUCBCAUJU-MRVPVSSYSA-N -1 3 322.149 2.357 20 10 DECDHM CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000862707592 686361798 /nfs/dbraw/zinc/36/17/98/686361798.db2.gz CQNLHWNMEAYJQO-UHFFFAOYSA-N -1 3 324.377 2.085 20 10 DECDHM C[C@@H](CN(C)C(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000863686538 686551883 /nfs/dbraw/zinc/55/18/83/686551883.db2.gz KJPMXNCZBWNZPW-JTQLQIEISA-N -1 3 324.377 2.083 20 10 DECDHM COCC(C)(C)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877597437 690162742 /nfs/dbraw/zinc/16/27/42/690162742.db2.gz MCEGZJYTJYXTHN-UHFFFAOYSA-N -1 3 314.376 2.213 20 10 DECDHM COC(=O)C12CCC(CC1)N2Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000879325042 690619729 /nfs/dbraw/zinc/61/97/29/690619729.db2.gz CKZLMOBDOCAJLU-UHFFFAOYSA-N -1 3 321.348 2.404 20 10 DECDHM C[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C[C@@H]1O ZINC001144298332 790845614 /nfs/dbraw/zinc/84/56/14/790845614.db2.gz BRRDZLNXHJINSB-OQPBUACISA-N -1 3 318.186 2.497 20 10 DECDHM CN(CCN1CCOC(C)(C)C1)Cc1cc(F)cc(F)c1[O-] ZINC001333714338 1150083022 /nfs/dbraw/zinc/08/30/22/1150083022.db2.gz MBYYPQZWOFBHHB-UHFFFAOYSA-N -1 3 314.376 2.213 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)CC(=O)N2 ZINC001136274825 789677638 /nfs/dbraw/zinc/67/76/38/789677638.db2.gz LXYWQDDAUPVYHR-SECBINFHSA-N -1 3 312.325 2.083 20 10 DECDHM O=C(Nc1cc(Cl)nc2ccnn21)c1cccc(O)c1[O-] ZINC001148212237 791710857 /nfs/dbraw/zinc/71/08/57/791710857.db2.gz SGTFUXHROZAFOO-UHFFFAOYSA-N -1 3 304.693 2.046 20 10 DECDHM O=C(Nc1nc(Cl)cc2nc[nH]c21)c1cccc(O)c1[O-] ZINC001148212322 791711176 /nfs/dbraw/zinc/71/11/76/791711176.db2.gz XJFHWMCGTJSSOJ-UHFFFAOYSA-N -1 3 304.693 2.275 20 10 DECDHM O=C(Nc1cc2ccccc2oc1=O)c1cc(O)c([O-])c(O)c1 ZINC001148582141 791777809 /nfs/dbraw/zinc/77/78/09/791777809.db2.gz YLSGMUXKMZDRCG-UHFFFAOYSA-N -1 3 313.265 2.162 20 10 DECDHM O=C(Cc1c[nH]cn1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001176836687 794510582 /nfs/dbraw/zinc/51/05/82/794510582.db2.gz OCUBJXZAJXYMLP-UHFFFAOYSA-N -1 3 316.748 2.176 20 10 DECDHM COc1ccccc1C(=O)C(=O)NCc1c([O-])cccc1F ZINC001178413689 794921966 /nfs/dbraw/zinc/92/19/66/794921966.db2.gz WHVCKFPHMUZHDU-UHFFFAOYSA-N -1 3 303.289 2.039 20 10 DECDHM C[C@H](c1ccccc1F)[C@H](O)C(=O)NCc1c([O-])cccc1F ZINC001178413059 794922151 /nfs/dbraw/zinc/92/21/51/794922151.db2.gz MHJVDMWRTIAHIY-HWPZZCPQSA-N -1 3 321.323 2.451 20 10 DECDHM [O-]c1cccc(Br)c1CN1CCn2nccc2C1 ZINC001140101929 796477447 /nfs/dbraw/zinc/47/74/47/796477447.db2.gz FCMZSWHJDPKCAK-UHFFFAOYSA-N -1 3 308.179 2.367 20 10 DECDHM COC(=O)[C@]12C[C@H]1CCCN2Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000933159558 800027674 /nfs/dbraw/zinc/02/76/74/800027674.db2.gz YMJCQGDSYNPYHZ-PXAZEXFGSA-N -1 3 321.348 2.261 20 10 DECDHM CCOC(=O)C1CN(Cc2cc(Br)ccc2[O-])C1 ZINC001203642432 800098175 /nfs/dbraw/zinc/09/81/75/800098175.db2.gz HGHPQKRSSPVJSC-UHFFFAOYSA-N -1 3 314.179 2.150 20 10 DECDHM CN(c1cccc(F)c1[O-])S(=O)(=O)CCc1ccc(N)cc1 ZINC001210198129 801349550 /nfs/dbraw/zinc/34/95/50/801349550.db2.gz MHGLUDHROYVHCX-UHFFFAOYSA-N -1 3 324.377 2.122 20 10 DECDHM COc1cc(OC)c(-c2noc(-c3cccc(O)c3[O-])n2)cn1 ZINC001215145927 801811778 /nfs/dbraw/zinc/81/17/78/801811778.db2.gz RMCRLZBLUPANHU-UHFFFAOYSA-N -1 3 315.285 2.227 20 10 DECDHM COc1cc([O-])c(CN2C[C@@H](F)C[C@H](CO)C2)cc1Cl ZINC001232266072 801833153 /nfs/dbraw/zinc/83/31/53/801833153.db2.gz IJDKZZZFIMMIAZ-ONGXEEELSA-N -1 3 303.761 2.207 20 10 DECDHM COc1cc([O-])c(CN2CC(O)(C(F)(F)F)C2)cc1Cl ZINC001232266907 801833988 /nfs/dbraw/zinc/83/39/88/801833988.db2.gz SKVDVUIBWIMJRP-UHFFFAOYSA-N -1 3 311.687 2.163 20 10 DECDHM Cc1cncnc1O[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079683 802022627 /nfs/dbraw/zinc/02/26/27/802022627.db2.gz KDJSAVZNZZLMAD-GFCCVEGCSA-N -1 3 321.327 2.422 20 10 DECDHM COC[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455469 802121556 /nfs/dbraw/zinc/12/15/56/802121556.db2.gz LZMRGNQFYGDKRN-LBPRGKRZSA-N -1 3 305.296 2.258 20 10 DECDHM C[C@@H](N[C@@H](C)C(=O)NCC(F)(F)F)c1c([O-])cccc1F ZINC001331229122 1149400277 /nfs/dbraw/zinc/40/02/77/1149400277.db2.gz HCHOSTVZTUCRDM-SFYZADRCSA-N -1 3 308.275 2.249 20 10 DECDHM C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccncc1 ZINC001603551787 1069986367 /nfs/dbraw/zinc/98/63/67/1069986367.db2.gz GGXWVCHBZXVJJV-NEPJUHHUSA-N -1 3 324.388 2.422 20 10 DECDHM CCC(CC)[C@H](O)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604023735 1070179478 /nfs/dbraw/zinc/17/94/78/1070179478.db2.gz ZXKLKHYXQDHEQJ-QMTHXVAHSA-N -1 3 319.409 2.020 20 10 DECDHM Cc1cc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cc(C)n1 ZINC001605660835 1070801551 /nfs/dbraw/zinc/80/15/51/1070801551.db2.gz IZTXHPXGYZUTFQ-GFCCVEGCSA-N -1 3 324.388 2.435 20 10 DECDHM Cc1ncccc1CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001606098488 1071041527 /nfs/dbraw/zinc/04/15/27/1071041527.db2.gz YEHDJLUIDHJELI-GFCCVEGCSA-N -1 3 324.388 2.169 20 10 DECDHM CN(C(=O)CNCc1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC001474070459 1060808507 /nfs/dbraw/zinc/80/85/07/1060808507.db2.gz RVDMKDBMSUDCLM-UHFFFAOYSA-N -1 3 321.377 2.181 20 10 DECDHM O=S(=O)(NCc1c([O-])cccc1F)c1cccnc1Cl ZINC001622592801 1078191691 /nfs/dbraw/zinc/19/16/91/1078191691.db2.gz JIGJJIOUTHDFLO-UHFFFAOYSA-N -1 3 316.741 2.058 20 10 DECDHM CO[C@](C)(CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001624522193 1078224074 /nfs/dbraw/zinc/22/40/74/1078224074.db2.gz LVUMRFAZWVPYFB-QGZVFWFLSA-N -1 3 301.342 2.389 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c([O-])c1O ZINC001570051609 1065902668 /nfs/dbraw/zinc/90/26/68/1065902668.db2.gz RBFYKQCBVUIPIH-UHFFFAOYSA-N -1 3 303.274 2.149 20 10 DECDHM CCc1nc([C@H]2CCCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC001628346630 1078296415 /nfs/dbraw/zinc/29/64/15/1078296415.db2.gz HMQBAEOZXZNUME-LLVKDONJSA-N -1 3 317.345 2.411 20 10 DECDHM CCOC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])c(O)c1 ZINC001633095982 1078398450 /nfs/dbraw/zinc/39/84/50/1078398450.db2.gz DGTUJPCBOUJLDP-UHFFFAOYSA-N -1 3 317.297 2.232 20 10 DECDHM Cn1nc(NC(=O)c2cccc(O)c2[O-])cc1C(F)(F)F ZINC001635978788 1078463381 /nfs/dbraw/zinc/46/33/81/1078463381.db2.gz BFWJUTZISCXWCJ-UHFFFAOYSA-N -1 3 301.224 2.102 20 10 DECDHM COc1ccc2c(c1)[C@H](NC(=O)c1cccc(O)c1[O-])CCO2 ZINC001638166894 1078552321 /nfs/dbraw/zinc/55/23/21/1078552321.db2.gz IUNSJCGXISZLNA-CYBMUJFWSA-N -1 3 315.325 2.360 20 10 DECDHM CN1CCOc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC001639255918 1078604055 /nfs/dbraw/zinc/60/40/55/1078604055.db2.gz PXMAEKQFKVNWNF-UHFFFAOYSA-N -1 3 300.314 2.179 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@]1([C@@H]2CCCCO2)CCCO1 ZINC001520694883 1069168420 /nfs/dbraw/zinc/16/84/20/1069168420.db2.gz KORMBTIRWNXEAI-RDJZCZTQSA-N -1 3 323.364 2.266 20 10 DECDHM O=C([N-]Cc1c(O)cccc1F)C(F)(F)c1nccs1 ZINC001645047941 1078873598 /nfs/dbraw/zinc/87/35/98/1078873598.db2.gz DXDCKAHMRWVFMH-UHFFFAOYSA-N -1 3 302.277 2.396 20 10 DECDHM C[C@]1(O)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235058000 1079006437 /nfs/dbraw/zinc/00/64/37/1079006437.db2.gz GVILYBIHTQDOKA-LBPRGKRZSA-N -1 3 304.159 2.251 20 10 DECDHM CCc1noc([C@@H]2CC[C@@H](NC(=O)c3cccc(O)c3[O-])C2)n1 ZINC001648263612 1074991448 /nfs/dbraw/zinc/99/14/48/1074991448.db2.gz IEWWAEZTJDJSRN-NXEZZACHSA-N -1 3 317.345 2.109 20 10 DECDHM C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953885 1076534423 /nfs/dbraw/zinc/53/44/23/1076534423.db2.gz WTLXHVOTMOKNKT-WDEREUQCSA-N -1 3 319.409 2.020 20 10 DECDHM C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590244327 1076597408 /nfs/dbraw/zinc/59/74/08/1076597408.db2.gz TWANHOJGNSUIMK-GRYCIOLGSA-N -1 3 317.393 2.181 20 10 DECDHM CC[C@H](C)[C@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])OC ZINC001590401747 1076621684 /nfs/dbraw/zinc/62/16/84/1076621684.db2.gz XAAGWLUGFVXTKC-WDMOLILDSA-N -1 3 319.409 2.284 20 10 DECDHM COCCCCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591410657 1076742353 /nfs/dbraw/zinc/74/23/53/1076742353.db2.gz FXNCJDGXGBECIQ-NSHDSACASA-N -1 3 305.382 2.040 20 10 DECDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1O ZINC001591768616 1076781807 /nfs/dbraw/zinc/78/18/07/1076781807.db2.gz LDALGAFRRGEUEU-JTQLQIEISA-N -1 3 309.329 2.063 20 10 DECDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1O ZINC001591768616 1076781810 /nfs/dbraw/zinc/78/18/10/1076781810.db2.gz LDALGAFRRGEUEU-JTQLQIEISA-N -1 3 309.329 2.063 20 10 DECDHM O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1ccc2ccccc2c1[O-] ZINC001601962940 1077484612 /nfs/dbraw/zinc/48/46/12/1077484612.db2.gz ACRLKCQPCXPSRF-CQSZACIVSA-N -1 3 301.342 2.221 20 10 DECDHM O=C([O-])C[C@@H]1COCC[N@H+]1Cc1ccc2ccccc2c1[O-] ZINC001601962940 1077484613 /nfs/dbraw/zinc/48/46/13/1077484613.db2.gz ACRLKCQPCXPSRF-CQSZACIVSA-N -1 3 301.342 2.221 20 10 DECDHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)Cc2ccccc2O)n1 ZINC001609396196 1077849838 /nfs/dbraw/zinc/84/98/38/1077849838.db2.gz GJPVPRCVEPAYJQ-UHFFFAOYSA-N -1 3 310.361 2.221 20 10 DECDHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)Cc2ccccc2O)n1 ZINC001609396196 1077849839 /nfs/dbraw/zinc/84/98/39/1077849839.db2.gz GJPVPRCVEPAYJQ-UHFFFAOYSA-N -1 3 310.361 2.221 20 10 DECDHM CC[N@H+](CC(=O)[O-])Cc1cc(Br)cc(OC)c1[O-] ZINC001609992573 1077965023 /nfs/dbraw/zinc/96/50/23/1077965023.db2.gz LSYBTEPQPSEPJJ-UHFFFAOYSA-N -1 3 318.167 2.070 20 10 DECDHM CC[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(OC)c1[O-] ZINC001609992573 1077965027 /nfs/dbraw/zinc/96/50/27/1077965027.db2.gz LSYBTEPQPSEPJJ-UHFFFAOYSA-N -1 3 318.167 2.070 20 10 DECDHM O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1cccc(O)c1[O-] ZINC001651796485 1079833649 /nfs/dbraw/zinc/83/36/49/1079833649.db2.gz RHSZAOALIUWKRI-SMDDNHRTSA-N -1 3 303.289 2.299 20 10 DECDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CC2(CCOCC2)O1 ZINC001659081222 1080229681 /nfs/dbraw/zinc/22/96/81/1080229681.db2.gz JIVVXKDSRKYEDO-LLVKDONJSA-N -1 3 313.344 2.440 20 10 DECDHM COCCO[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001659577189 1080245157 /nfs/dbraw/zinc/24/51/57/1080245157.db2.gz UREUNHCHNIMSBG-LBPRGKRZSA-N -1 3 301.333 2.298 20 10 DECDHM CN1C[C@@H]2C[C@H]1CN2Cc1cc(F)cc(Br)c1[O-] ZINC001235303589 1084381514 /nfs/dbraw/zinc/38/15/14/1084381514.db2.gz OPNOUFKACFTEFP-QWRGUYRKSA-N -1 3 315.186 2.182 20 10 DECDHM [O-]c1c(CN2CCn3cnc(CO)c3C2)ccc2ccccc12 ZINC001235508618 1084451795 /nfs/dbraw/zinc/45/17/95/1084451795.db2.gz WQGWUTMYIAKGEN-UHFFFAOYSA-N -1 3 309.369 2.250 20 10 DECDHM CCOC(=O)[C@@H](C)NCc1c([O-])cccc1Br ZINC000706868322 1086653978 /nfs/dbraw/zinc/65/39/78/1086653978.db2.gz FQSBSNRFIKGQAJ-MRVPVSSYSA-N -1 3 302.168 2.196 20 10 DECDHM C[C@@H](C[S@@](C)=O)N(C)Cc1c([O-])cccc1Br ZINC000707141638 1086659373 /nfs/dbraw/zinc/65/93/73/1086659373.db2.gz FPQBLUGOOPBXRQ-HUTHGQBESA-N -1 3 320.252 2.354 20 10 DECDHM CC(C)NC(=O)N1CCC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001275276656 1091647841 /nfs/dbraw/zinc/64/78/41/1091647841.db2.gz NXMSQPHSDNSYNP-UHFFFAOYSA-N -1 3 323.824 2.424 20 10 DECDHM COC(=O)[C@]1(F)CCN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236798020 1138432165 /nfs/dbraw/zinc/43/21/65/1138432165.db2.gz KKUDGMTXIVRAPP-AWEZNQCLSA-N -1 3 317.744 2.141 20 10 DECDHM COc1cc([O-])c(CN2C[C@H]3C[C@@H](C2)O3)c(Br)c1 ZINC001237066736 1138492076 /nfs/dbraw/zinc/49/20/76/1138492076.db2.gz AALAOKHPWXAQQB-AOOOYVTPSA-N -1 3 314.179 2.136 20 10 DECDHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)COc2ccccc2O1 ZINC001303876151 1147337197 /nfs/dbraw/zinc/33/71/97/1147337197.db2.gz WOGVHHBHHNHGRW-KRWDZBQOSA-N -1 3 317.316 2.378 20 10 DECDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccccc1O ZINC001309769562 1147507249 /nfs/dbraw/zinc/50/72/49/1147507249.db2.gz WRVHSJVURRTFQU-MRVPVSSYSA-N -1 3 314.313 2.105 20 10 DECDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC001309878460 1147509085 /nfs/dbraw/zinc/50/90/85/1147509085.db2.gz GXFKHBIUFFARAQ-UHFFFAOYSA-N -1 3 317.288 2.288 20 10 DECDHM CCN(Cc1cnn(C)c1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079409058 185169453 /nfs/dbraw/zinc/16/94/53/185169453.db2.gz QJIXEHVLXMZVEV-UHFFFAOYSA-N -1 3 305.353 2.490 20 10 DECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](C)OC ZINC000182335086 291080614 /nfs/dbraw/zinc/08/06/14/291080614.db2.gz PQSDDQCYRBCJLB-SNVBAGLBSA-N -1 3 301.770 2.056 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000273580562 130140551 /nfs/dbraw/zinc/14/05/51/130140551.db2.gz MOTMPTSGQQBLHL-GHMZBOCLSA-N -1 3 322.405 2.133 20 10 DECDHM Cc1nccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC000273763359 130163217 /nfs/dbraw/zinc/16/32/17/130163217.db2.gz PNRFYKXLHVDOHQ-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM Cc1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c([O-])c1O ZINC000294416202 292050113 /nfs/dbraw/zinc/05/01/13/292050113.db2.gz YIBLFDOPKBKDBT-INIZCTEOSA-N -1 3 317.385 2.437 20 10 DECDHM CCCN(CC(=O)OC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184670299 402290464 /nfs/dbraw/zinc/29/04/64/402290464.db2.gz UBWCLZNIWOCFSW-UHFFFAOYSA-N -1 3 301.770 2.439 20 10 DECDHM C[C@]1(c2ccccc2)CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000185844530 402382370 /nfs/dbraw/zinc/38/23/70/402382370.db2.gz KYLCABYHHPGSDV-GOSISDBHSA-N -1 3 313.353 2.486 20 10 DECDHM Cc1ccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)c([O-])c1O ZINC000187553945 402505090 /nfs/dbraw/zinc/50/50/90/402505090.db2.gz RRRNULKPRSTQKL-AWEZNQCLSA-N -1 3 305.374 2.437 20 10 DECDHM Cc1csc([C@@H]2COCCN2C(=O)c2cccc(O)c2[O-])n1 ZINC000189029128 402530169 /nfs/dbraw/zinc/53/01/69/402530169.db2.gz GDHJOVVAZSPLLG-NSHDSACASA-N -1 3 320.370 2.076 20 10 DECDHM NC(=O)C[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295243757 403809669 /nfs/dbraw/zinc/80/96/69/403809669.db2.gz FGGLGIHCGRUKQL-VIFPVBQESA-N -1 3 300.761 2.272 20 10 DECDHM Cc1ccc(C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)c([O-])c1O ZINC000364002448 404280919 /nfs/dbraw/zinc/28/09/19/404280919.db2.gz WINOQSGTHVGZJT-NVXWUHKLSA-N -1 3 305.374 2.341 20 10 DECDHM Oc1ccc2c(c1CNc1nc3nncc-3c(O)[n-]1)CCCC2 ZINC000290772027 404305164 /nfs/dbraw/zinc/30/51/64/404305164.db2.gz LQAQBARKALNHPY-UHFFFAOYSA-N -1 3 311.345 2.255 20 10 DECDHM NC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(F)ccc1[O-] ZINC000361053062 404895331 /nfs/dbraw/zinc/89/53/31/404895331.db2.gz PLKAESIYYVLRFG-INIZCTEOSA-N -1 3 300.333 2.116 20 10 DECDHM CN1CCC[C@H](N2CCN(Cc3cccc(Cl)c3[O-])CC2)C1 ZINC000367718473 405134132 /nfs/dbraw/zinc/13/41/32/405134132.db2.gz HEGNJMMMRSDSQJ-HNNXBMFYSA-N -1 3 323.868 2.257 20 10 DECDHM Cc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)c([O-])c1O ZINC000371664121 227076930 /nfs/dbraw/zinc/07/69/30/227076930.db2.gz GJCIMTSZTGDCRD-OAHLLOKOSA-N -1 3 313.353 2.450 20 10 DECDHM O=S1(=O)C[C@@H](NCc2cc(F)ccc2[O-])c2ccccc21 ZINC000378490711 227217056 /nfs/dbraw/zinc/21/70/56/227217056.db2.gz CWQLZYUGSGHTGA-CYBMUJFWSA-N -1 3 307.346 2.150 20 10 DECDHM COC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCO1 ZINC000278628678 293165635 /nfs/dbraw/zinc/16/56/35/293165635.db2.gz CPNRHXBRFABDBS-DGFSRKRXSA-N -1 3 310.350 2.145 20 10 DECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(F)F ZINC000375751249 337018677 /nfs/dbraw/zinc/01/86/77/337018677.db2.gz YUEVVJAQPNHCIT-NSHDSACASA-N -1 3 318.751 2.391 20 10 DECDHM CC(=O)c1cc(F)cc(CN(CCCO)CC(F)(F)F)c1[O-] ZINC000267031022 518284738 /nfs/dbraw/zinc/28/47/38/518284738.db2.gz FEMGZWGADJJLQI-UHFFFAOYSA-N -1 3 323.286 2.481 20 10 DECDHM CCCCCN1CC(=O)N[C@@H]1c1cc(OC)c(OC)cc1[O-] ZINC000182320124 520180254 /nfs/dbraw/zinc/18/02/54/520180254.db2.gz IIKGBVGCSAVXHT-INIZCTEOSA-N -1 3 308.378 2.030 20 10 DECDHM COC(=O)CCCCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000267548415 522986599 /nfs/dbraw/zinc/98/65/99/522986599.db2.gz CDFIYUFXSSBWPP-UHFFFAOYSA-N -1 3 309.362 2.260 20 10 DECDHM Cc1noc(C)c1CN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179941448 526503549 /nfs/dbraw/zinc/50/35/49/526503549.db2.gz CVWIVPASNZCOAR-UHFFFAOYSA-N -1 3 319.380 2.454 20 10 DECDHM COc1cccc(CNc2cccc(F)c2-c2nnn[n-]2)c1O ZINC000737133115 598456441 /nfs/dbraw/zinc/45/64/41/598456441.db2.gz XPMLBDINLLXQQP-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM COc1cccc(CNc2cccc(F)c2-c2nn[n-]n2)c1O ZINC000737133115 598456442 /nfs/dbraw/zinc/45/64/42/598456442.db2.gz XPMLBDINLLXQQP-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM CCOC(=O)CC[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000921695701 634777339 /nfs/dbraw/zinc/77/73/39/634777339.db2.gz WMUHQCDJBRINNQ-SNVBAGLBSA-N -1 3 312.341 2.062 20 10 DECDHM O=S(=O)([N-]Cc1ccccc1O)c1cnc(Cl)c(F)c1 ZINC000312899806 633303854 /nfs/dbraw/zinc/30/38/54/633303854.db2.gz BTVYNRTWDOEYEI-UHFFFAOYSA-N -1 3 316.741 2.058 20 10 DECDHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000093559762 634150539 /nfs/dbraw/zinc/15/05/39/634150539.db2.gz AJRFQFAGZWNNIY-NXEZZACHSA-N -1 3 303.811 2.053 20 10 DECDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000093559760 634153258 /nfs/dbraw/zinc/15/32/58/634153258.db2.gz AJRFQFAGZWNNIY-ZJUUUORDSA-N -1 3 303.811 2.053 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H]2NC(=O)c3ccccc3N2C)c1 ZINC000726797027 636471345 /nfs/dbraw/zinc/47/13/45/636471345.db2.gz UOVFPNOCGNLWQN-OAHLLOKOSA-N -1 3 312.325 2.057 20 10 DECDHM CN(C)C(=O)O[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894878233 637283496 /nfs/dbraw/zinc/28/34/96/637283496.db2.gz VFBHKCDIGNLKJD-LBPRGKRZSA-N -1 3 314.332 2.333 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2ccn(C)n2)c1 ZINC000840818216 637775297 /nfs/dbraw/zinc/77/52/97/637775297.db2.gz XRDBWLWEEUTWES-WDEREUQCSA-N -1 3 303.362 2.324 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898190204 641054997 /nfs/dbraw/zinc/05/49/97/641054997.db2.gz YVGDNQSISZAGMF-QWRGUYRKSA-N -1 3 304.159 2.059 20 10 DECDHM O=C(Nc1cccc(N2CCOC2=O)c1)c1cccc(O)c1[O-] ZINC000776330700 642159330 /nfs/dbraw/zinc/15/93/30/642159330.db2.gz OYSSSPYZNCUQGZ-UHFFFAOYSA-N -1 3 314.297 2.307 20 10 DECDHM COc1cc(NC(=O)c2cccc(O)c2[O-])ccc1NC(C)=O ZINC000776337214 642159835 /nfs/dbraw/zinc/15/98/35/642159835.db2.gz ZTGBEINJXMDQRG-UHFFFAOYSA-N -1 3 316.313 2.317 20 10 DECDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(OC)n1 ZINC000780914084 642689227 /nfs/dbraw/zinc/68/92/27/642689227.db2.gz DVOOYUJURACJGU-UHFFFAOYSA-N -1 3 304.302 2.071 20 10 DECDHM CN(C)C(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790505758 643859868 /nfs/dbraw/zinc/85/98/68/643859868.db2.gz XVKUPTKLPJCFJT-UHFFFAOYSA-N -1 3 300.314 2.052 20 10 DECDHM COCCOc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790553789 643865942 /nfs/dbraw/zinc/86/59/42/643865942.db2.gz IICOYTOTRFLLLU-UHFFFAOYSA-N -1 3 303.314 2.375 20 10 DECDHM O=C(NCCN1CCCc2ccccc21)c1cccc(O)c1[O-] ZINC000790556506 643866456 /nfs/dbraw/zinc/86/64/56/643866456.db2.gz SPQOAIMHQGTFDP-UHFFFAOYSA-N -1 3 312.369 2.280 20 10 DECDHM COc1c([O-])c(CN2CCOC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000843429280 650973845 /nfs/dbraw/zinc/97/38/45/650973845.db2.gz UTPJYOZRMQACSM-CQSZACIVSA-N -1 3 322.361 2.310 20 10 DECDHM Cn1ccc2ccc(NC(=O)c3cccc(O)c3[O-])cc2c1=O ZINC000803724134 645685141 /nfs/dbraw/zinc/68/51/41/645685141.db2.gz UYTPKSMHXKGJBY-UHFFFAOYSA-N -1 3 310.309 2.202 20 10 DECDHM CCOCCN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816484097 647140617 /nfs/dbraw/zinc/14/06/17/647140617.db2.gz PPDNTTVXZRJBME-UHFFFAOYSA-N -1 3 316.804 2.339 20 10 DECDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1nnnn1C1CC1 ZINC000816591549 647156271 /nfs/dbraw/zinc/15/62/71/647156271.db2.gz HXZRRTCVOBUDDA-SSDOTTSWSA-N -1 3 311.748 2.357 20 10 DECDHM Cc1ccc(CCNC(=O)NCc2c([O-])cccc2F)cn1 ZINC000917922799 648041386 /nfs/dbraw/zinc/04/13/86/648041386.db2.gz YQTAVHYWTVLICA-UHFFFAOYSA-N -1 3 303.337 2.277 20 10 DECDHM C[C@H](NCc1ccc(Br)cc1[O-])c1ncnn1C ZINC000825671061 648797034 /nfs/dbraw/zinc/79/70/34/648797034.db2.gz DZNQIZKVFQQDME-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(-n3ccnn3)cc2)c([O-])c1O ZINC000182304657 648870533 /nfs/dbraw/zinc/87/05/33/648870533.db2.gz RBQSZQRIRDRRJH-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM C[S@](=O)Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000185666578 649586426 /nfs/dbraw/zinc/58/64/26/649586426.db2.gz AQTHSWAOUKMRJI-NRFANRHFSA-N -1 3 305.355 2.229 20 10 DECDHM COC(=O)CN(C(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000855447543 651701051 /nfs/dbraw/zinc/70/10/51/651701051.db2.gz RRYPKBAVKVZATC-UHFFFAOYSA-N -1 3 307.346 2.046 20 10 DECDHM CCn1ncc(CNCc2c([O-])cccc2Br)n1 ZINC000858207410 652279431 /nfs/dbraw/zinc/27/94/31/652279431.db2.gz WJZXBRNOAIKRNQ-UHFFFAOYSA-N -1 3 311.183 2.056 20 10 DECDHM COCCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC(F)F ZINC000079413807 683972686 /nfs/dbraw/zinc/97/26/86/683972686.db2.gz ZLWRQDFTESUDBC-UHFFFAOYSA-N -1 3 305.296 2.447 20 10 DECDHM Cc1ccc(Cn2nccc2NC(=O)c2cccc(O)c2[O-])o1 ZINC000188449404 684356807 /nfs/dbraw/zinc/35/68/07/684356807.db2.gz DNRRVOSLDVSSCE-UHFFFAOYSA-N -1 3 313.313 2.496 20 10 DECDHM CN(C)c1ccc(CNC(=O)c2ccc(O)cc2[O-])cc1F ZINC000194892717 685080766 /nfs/dbraw/zinc/08/07/66/685080766.db2.gz HNVDLGPSVBCDOV-UHFFFAOYSA-N -1 3 304.321 2.233 20 10 DECDHM Cc1nc2n(n1)CCN(Cc1c([O-])cccc1Br)C2 ZINC000862246394 686264573 /nfs/dbraw/zinc/26/45/73/686264573.db2.gz NRNKLXNXPPHJEG-UHFFFAOYSA-N -1 3 323.194 2.070 20 10 DECDHM [O-]c1cccc(Br)c1CN1C[C@@H](O)CC(F)(F)C1 ZINC000862338913 686278969 /nfs/dbraw/zinc/27/89/69/686278969.db2.gz HCUSGKUCBCAUJU-QMMMGPOBSA-N -1 3 322.149 2.357 20 10 DECDHM [O-]c1cccc(Br)c1CN1CC[C@@](F)(CO)C1 ZINC000862357922 686280733 /nfs/dbraw/zinc/28/07/33/686280733.db2.gz MWALHPSTAOOMAL-LBPRGKRZSA-N -1 3 304.159 2.061 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CCSC[C@@H]1CO ZINC000877780697 690226314 /nfs/dbraw/zinc/22/63/14/690226314.db2.gz ZJRDDPSLMDKYNA-NSHDSACASA-N -1 3 318.236 2.064 20 10 DECDHM Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1c([O-])cccc1F ZINC001335311859 1150395142 /nfs/dbraw/zinc/39/51/42/1150395142.db2.gz NKCBWRSWXABLPX-SNVBAGLBSA-N -1 3 303.337 2.001 20 10 DECDHM O=C(N[C@H]1COc2c(F)cc(F)cc2C1)c1cccc(O)c1[O-] ZINC001347466951 1151070452 /nfs/dbraw/zinc/07/04/52/1151070452.db2.gz GXIRLOVHLLATAM-SNVBAGLBSA-N -1 3 321.279 2.110 20 10 DECDHM O=C(Nc1ccc(-n2ccnc2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148582192 791777349 /nfs/dbraw/zinc/77/73/49/791777349.db2.gz ZQKGWHVLSNRZQF-UHFFFAOYSA-N -1 3 311.297 2.241 20 10 DECDHM CC(=O)N(CC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001178413505 794922244 /nfs/dbraw/zinc/92/22/44/794922244.db2.gz TUIIOTJPHVCWPE-UHFFFAOYSA-N -1 3 316.332 2.201 20 10 DECDHM Cc1nc(NCc2ccc(N3CCOCC3)c(F)c2)cc(=O)[n-]1 ZINC001119935463 795375660 /nfs/dbraw/zinc/37/56/60/795375660.db2.gz FULQZETVGNUAHY-UHFFFAOYSA-N -1 3 318.352 2.078 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC(C(=O)C(F)(F)F)CC1 ZINC001138348862 796203357 /nfs/dbraw/zinc/20/33/57/796203357.db2.gz LRBKHIKNAWZEMI-UHFFFAOYSA-N -1 3 317.263 2.081 20 10 DECDHM CC(C)OCc1nnc2n1CCN(Cc1cc(F)ccc1[O-])C2 ZINC001140053977 796471418 /nfs/dbraw/zinc/47/14/18/796471418.db2.gz HGTGRNNLZKKZQP-UHFFFAOYSA-N -1 3 320.368 2.064 20 10 DECDHM Cc1oncc1S(=O)(=O)[N-][C@@H](C)c1ccc(N(C)C)cc1 ZINC001187411530 796532136 /nfs/dbraw/zinc/53/21/36/796532136.db2.gz JLVREPFZGGIDFD-JTQLQIEISA-N -1 3 309.391 2.089 20 10 DECDHM C[C@H]1CN(C2CN(Cc3cc(Cl)ccc3[O-])C2)C[C@H](C)O1 ZINC001203665600 796559686 /nfs/dbraw/zinc/55/96/86/796559686.db2.gz PAKKJVDPJMKHKG-RYUDHWBXSA-N -1 3 310.825 2.339 20 10 DECDHM Cc1cnc(O[C@@H]2CCN(Cc3cc(F)c(F)cc3[O-])C2)nc1 ZINC001142531319 796748198 /nfs/dbraw/zinc/74/81/98/796748198.db2.gz UAMGXUNZUXOHKP-GFCCVEGCSA-N -1 3 321.327 2.422 20 10 DECDHM N[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCC1(F)F ZINC001206654302 797712382 /nfs/dbraw/zinc/71/23/82/797712382.db2.gz AZUMXVRFUJQKBO-LLVKDONJSA-N -1 3 321.165 2.323 20 10 DECDHM Cc1cccn2cc(CC(=O)NCc3c([O-])cccc3F)nc12 ZINC001156170787 797938248 /nfs/dbraw/zinc/93/82/48/797938248.db2.gz ULFSAKKWJZSUBG-UHFFFAOYSA-N -1 3 313.332 2.346 20 10 DECDHM COC(=O)C(C)(C)NCc1ccc(Br)cc1[O-] ZINC000691385662 799507591 /nfs/dbraw/zinc/50/75/91/799507591.db2.gz HMMHONSBHDEKRE-UHFFFAOYSA-N -1 3 302.168 2.196 20 10 DECDHM O=S(=O)(Cc1ccc(F)cc1)NCc1c([O-])cccc1F ZINC001213797701 801643506 /nfs/dbraw/zinc/64/35/06/801643506.db2.gz KSWYXEAJRFJWGT-UHFFFAOYSA-N -1 3 313.325 2.290 20 10 DECDHM O=C([O-])c1ccc(C[N@@H+]2CCc3cc(CO)ccc3C2)c([O-])c1 ZINC001231446540 801667294 /nfs/dbraw/zinc/66/72/94/801667294.db2.gz JWDIGGIKDCWLND-UHFFFAOYSA-N -1 3 313.353 2.141 20 10 DECDHM O=C([O-])c1ccc(C[N@H+]2CCc3cc(CO)ccc3C2)c([O-])c1 ZINC001231446540 801667300 /nfs/dbraw/zinc/66/73/00/801667300.db2.gz JWDIGGIKDCWLND-UHFFFAOYSA-N -1 3 313.353 2.141 20 10 DECDHM O=C([O-])c1ccc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c([O-])c1 ZINC001231454672 801669471 /nfs/dbraw/zinc/66/94/71/801669471.db2.gz IAFXWBOFYHWIAX-CYBMUJFWSA-N -1 3 309.337 2.183 20 10 DECDHM COC(=O)[C@]1(F)CCN(Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232263921 801834368 /nfs/dbraw/zinc/83/43/68/801834368.db2.gz BOTPWVRFRNFDHA-AWEZNQCLSA-N -1 3 317.744 2.141 20 10 DECDHM CCN(Cc1cc(Cl)c(OC)cc1[O-])[C@@H](C)C(=O)OC ZINC001232271151 801834792 /nfs/dbraw/zinc/83/47/92/801834792.db2.gz OFJKZIZAGFPJAL-VIFPVBQESA-N -1 3 301.770 2.438 20 10 DECDHM Cc1nc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)ccc1F ZINC001215328558 801837106 /nfs/dbraw/zinc/83/71/06/801837106.db2.gz KTARZCJJDJWBOK-UHFFFAOYSA-N -1 3 303.249 2.363 20 10 DECDHM [O-]c1cc(I)ccc1CN1CCCO1 ZINC001232973878 801994022 /nfs/dbraw/zinc/99/40/22/801994022.db2.gz CUOMEKGOGWWIGZ-UHFFFAOYSA-N -1 3 305.115 2.134 20 10 DECDHM CN1C[C@@H]2C[C@H]1CN2Cc1c([O-])cc(Br)cc1F ZINC001233030380 802009066 /nfs/dbraw/zinc/00/90/66/802009066.db2.gz RBHDFDSCSOKOAQ-UWVGGRQHSA-N -1 3 315.186 2.182 20 10 DECDHM COc1cc([O-])c(CN2CCC(O)CC2)cc1Br ZINC001233134834 802034244 /nfs/dbraw/zinc/03/42/44/802034244.db2.gz FVHOTARDBCLWJZ-UHFFFAOYSA-N -1 3 316.195 2.120 20 10 DECDHM O=C(NC1CCN(Cc2c([O-])ccc(F)c2F)CC1)C1CC1 ZINC001233334759 802079485 /nfs/dbraw/zinc/07/94/85/802079485.db2.gz SGFFDCOZHASVPX-UHFFFAOYSA-N -1 3 310.344 2.161 20 10 DECDHM O=C1CCCN1C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335790 802080603 /nfs/dbraw/zinc/08/06/03/802080603.db2.gz LQHMKMULZRGIFN-UHFFFAOYSA-N -1 3 310.344 2.257 20 10 DECDHM C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593220801 994316341 /nfs/dbraw/zinc/31/63/41/994316341.db2.gz VOORGTJXPVBINL-KOLCDFICSA-N -1 3 314.332 2.080 20 10 DECDHM C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273887 994622855 /nfs/dbraw/zinc/62/28/55/994622855.db2.gz ZQKBGKYSYQMQMR-CWKPULSASA-N -1 3 313.419 2.288 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001602907060 1069792403 /nfs/dbraw/zinc/79/24/03/1069792403.db2.gz SNPAFZFBELLXHO-XFXZXTDPSA-N -1 3 320.356 2.328 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001602907060 1069792414 /nfs/dbraw/zinc/79/24/14/1069792414.db2.gz SNPAFZFBELLXHO-XFXZXTDPSA-N -1 3 320.356 2.328 20 10 DECDHM CC(C)SCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603376712 1069958098 /nfs/dbraw/zinc/95/80/98/1069958098.db2.gz DQCNKYWKCYRQOM-JTQLQIEISA-N -1 3 307.423 2.365 20 10 DECDHM C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603656699 1070022220 /nfs/dbraw/zinc/02/22/20/1070022220.db2.gz IAORIHZVNXKSNG-SDBXPKJASA-N -1 3 309.320 2.268 20 10 DECDHM CCCCOCCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604188209 1070271691 /nfs/dbraw/zinc/27/16/91/1070271691.db2.gz KYOALHRDIXLNDP-LBPRGKRZSA-N -1 3 319.409 2.430 20 10 DECDHM C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329342 1070329665 /nfs/dbraw/zinc/32/96/65/1070329665.db2.gz SKANRPRXBJVOIJ-BXUZGUMPSA-N -1 3 304.390 2.225 20 10 DECDHM CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C1(C)C ZINC001605025399 1070579424 /nfs/dbraw/zinc/57/94/24/1070579424.db2.gz UXADRESSZBXFKE-ZWKOPEQDSA-N -1 3 317.393 2.036 20 10 DECDHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(C)ccc2O)s1 ZINC001328769810 1148833304 /nfs/dbraw/zinc/83/33/04/1148833304.db2.gz PXNMEGZUTURQIV-UHFFFAOYSA-N -1 3 312.416 2.198 20 10 DECDHM COC(C)(C)c1nsc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC001470990353 1060172577 /nfs/dbraw/zinc/17/25/77/1060172577.db2.gz LDPFKUDGFUFWLS-UHFFFAOYSA-N -1 3 323.374 2.392 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC(c2ccccc2)=NO1 ZINC001471975174 1060353502 /nfs/dbraw/zinc/35/35/02/1060353502.db2.gz RYHWSJQQHAVLKC-INIZCTEOSA-N -1 3 314.316 2.341 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc2c(=O)[nH]cnc2c1 ZINC001471976292 1060354692 /nfs/dbraw/zinc/35/46/92/1060354692.db2.gz VLJYBSPKEDOAKR-UHFFFAOYSA-N -1 3 313.288 2.110 20 10 DECDHM COc1ccc(N2CCCN(c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC001515372132 1068872618 /nfs/dbraw/zinc/87/26/18/1068872618.db2.gz TZGRXGKOHQUUJW-UHFFFAOYSA-N -1 3 314.389 2.216 20 10 DECDHM CN(C)C(=O)c1cc(F)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001556114272 1075018991 /nfs/dbraw/zinc/01/89/91/1075018991.db2.gz WIGLIRFUVGDFEP-UHFFFAOYSA-N -1 3 318.304 2.191 20 10 DECDHM O=C(NCCc1nc(-c2ccccc2)c[nH]1)c1cccc(O)c1[O-] ZINC001558289519 1075087581 /nfs/dbraw/zinc/08/75/81/1075087581.db2.gz OQLWQPIXOAHXFA-UHFFFAOYSA-N -1 3 323.352 2.460 20 10 DECDHM CC(=O)c1cc(F)cc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c1[O-] ZINC001559944527 1075131042 /nfs/dbraw/zinc/13/10/42/1075131042.db2.gz QRNVGMDMZDCPBW-OUAUKWLOSA-N -1 3 322.380 2.173 20 10 DECDHM C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589950313 1076531980 /nfs/dbraw/zinc/53/19/80/1076531980.db2.gz RBPWLYNMWKCTGI-QWRGUYRKSA-N -1 3 317.393 2.038 20 10 DECDHM CC[C@H]([NH2+][C@@H](C)CSC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590461345 1076630569 /nfs/dbraw/zinc/63/05/69/1076630569.db2.gz BEYCZQQLOOLVFX-CABZTGNLSA-N -1 3 307.423 2.365 20 10 DECDHM CC[C@H]([NH2+]C[C@H](C)CCOC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464873 1076632518 /nfs/dbraw/zinc/63/25/18/1076632518.db2.gz QSDGRFKTFZEDSG-RISCZKNCSA-N -1 3 319.409 2.286 20 10 DECDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1ccccc1O ZINC001592099730 1076847342 /nfs/dbraw/zinc/84/73/42/1076847342.db2.gz OISXRCZITOXJNQ-LLVKDONJSA-N -1 3 323.356 2.372 20 10 DECDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1ccccc1O ZINC001592099730 1076847346 /nfs/dbraw/zinc/84/73/46/1076847346.db2.gz OISXRCZITOXJNQ-LLVKDONJSA-N -1 3 323.356 2.372 20 10 DECDHM S=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1 ZINC001593542318 1077020769 /nfs/dbraw/zinc/02/07/69/1077020769.db2.gz MWZXDYKUXNRYPZ-UHFFFAOYSA-N -1 3 311.374 2.180 20 10 DECDHM C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778170 1077921435 /nfs/dbraw/zinc/92/14/35/1077921435.db2.gz NFDJYZQCONYIPM-CABZTGNLSA-N -1 3 301.346 2.022 20 10 DECDHM C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781928 1077922317 /nfs/dbraw/zinc/92/23/17/1077922317.db2.gz VUNAOOPLKZKNMY-DOMZBBRYSA-N -1 3 315.369 2.345 20 10 DECDHM C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781275 1077922484 /nfs/dbraw/zinc/92/24/84/1077922484.db2.gz WTKVDUQWUYCGEX-ZIBATOQPSA-N -1 3 304.390 2.224 20 10 DECDHM O=C(NCCO)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001659625339 1080244691 /nfs/dbraw/zinc/24/46/91/1080244691.db2.gz MNRLUAUUWYDXOY-UHFFFAOYSA-N -1 3 322.311 2.005 20 10 DECDHM C[C@]1(O)COCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078889 1080442359 /nfs/dbraw/zinc/44/23/59/1080442359.db2.gz ZRGJCSRGVOSUFX-CYBMUJFWSA-N -1 3 306.189 2.282 20 10 DECDHM O=C(NCCOc1ccccc1)NCc1c([O-])cccc1F ZINC001665493730 1081034451 /nfs/dbraw/zinc/03/44/51/1081034451.db2.gz QRMFMYKJBYOSKR-UHFFFAOYSA-N -1 3 304.321 2.410 20 10 DECDHM CN1C[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@H](C1)O2 ZINC001276804667 1083621166 /nfs/dbraw/zinc/62/11/66/1083621166.db2.gz JUJDGHABBNHIJD-PHIMTYICSA-N -1 3 317.216 2.214 20 10 DECDHM CN1CC2(C1)CN(Cc1cc(F)cc(Br)c1[O-])C2 ZINC001235306452 1084379879 /nfs/dbraw/zinc/37/98/79/1084379879.db2.gz FVTCFZFJWMQPQS-UHFFFAOYSA-N -1 3 315.186 2.041 20 10 DECDHM O=S(=O)([N-]Cc1cccc(O)c1O)c1ccc(Cl)s1 ZINC001256541982 1084416865 /nfs/dbraw/zinc/41/68/65/1084416865.db2.gz RVCSRABIKPZQGU-UHFFFAOYSA-N -1 3 319.791 2.291 20 10 DECDHM [O-]c1cccc(Cl)c1CN1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001275217358 1091621145 /nfs/dbraw/zinc/62/11/45/1091621145.db2.gz JYHMINCEQLCTPA-UHFFFAOYSA-N -1 3 318.808 2.229 20 10 DECDHM COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3C)c([O-])c1Cl ZINC001236803571 1138432430 /nfs/dbraw/zinc/43/24/30/1138432430.db2.gz IFDKPALLWUUSBC-VXGBXAGGSA-N -1 3 324.808 2.249 20 10 DECDHM COc1cc([O-])c(CN2CCN(C(C)=O)[C@H](C)C2)c(Cl)c1 ZINC001236809671 1138435809 /nfs/dbraw/zinc/43/58/09/1138435809.db2.gz XFNKKDDBHRPYEJ-SNVBAGLBSA-N -1 3 312.797 2.107 20 10 DECDHM COc1cc([O-])c(CN(C)CC(C)=O)c(Br)c1 ZINC001237065568 1138487777 /nfs/dbraw/zinc/48/77/77/1138487777.db2.gz QAMVVJJPHQNZGU-UHFFFAOYSA-N -1 3 302.168 2.184 20 10 DECDHM COc1cc([O-])c(CN(C)[C@H]2CCOC2)c(Br)c1 ZINC001237068587 1138494316 /nfs/dbraw/zinc/49/43/16/1138494316.db2.gz SVWQEFGGJMIRTA-VIFPVBQESA-N -1 3 316.195 2.384 20 10 DECDHM Cc1cc([O-])c(CN2CC(C)(CO)C2)cc1Br ZINC001237678264 1138751513 /nfs/dbraw/zinc/75/15/13/1138751513.db2.gz XNVZJKVJAKYIBW-UHFFFAOYSA-N -1 3 300.196 2.277 20 10 DECDHM O=C1CCN(Cc2cc(F)cc(Cl)c2[O-])C[C@@H]2CCCN12 ZINC001237803936 1138794572 /nfs/dbraw/zinc/79/45/72/1138794572.db2.gz WOBBSNQRFGJGJL-LBPRGKRZSA-N -1 3 312.772 2.381 20 10 DECDHM Cc1nc(NC(=O)c2cccc(O)c2[O-])ccc1-c1cnn(C)c1 ZINC001298339792 1140035119 /nfs/dbraw/zinc/03/51/19/1140035119.db2.gz QPTXKJQIFCDHGM-UHFFFAOYSA-N -1 3 324.340 2.454 20 10 DECDHM O=C(COc1ccccc1[N+](=O)[O-])NCc1c([O-])cccc1F ZINC001303878602 1147337004 /nfs/dbraw/zinc/33/70/04/1147337004.db2.gz OXGCENIEACVXMF-UHFFFAOYSA-N -1 3 320.276 2.135 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2cnn(C)c2)c1 ZINC000273550471 130135508 /nfs/dbraw/zinc/13/55/08/130135508.db2.gz FVWAOJHCXNRLQM-QWRGUYRKSA-N -1 3 303.362 2.324 20 10 DECDHM O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cccc(O)c1[O-] ZINC000274922883 130274835 /nfs/dbraw/zinc/27/48/35/130274835.db2.gz BCMBPYPRJXCBFU-LBPRGKRZSA-N -1 3 300.314 2.006 20 10 DECDHM CCCOc1ccc(CN2CC(NC(=O)C3CCC3)C2)c([O-])c1 ZINC000297479401 132017944 /nfs/dbraw/zinc/01/79/44/132017944.db2.gz UBMIBSJVLCLELW-UHFFFAOYSA-N -1 3 318.417 2.282 20 10 DECDHM CCCNC(=O)CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000184881504 402306465 /nfs/dbraw/zinc/30/64/65/402306465.db2.gz WMGRPQPIKIHPNU-VIFPVBQESA-N -1 3 315.211 2.332 20 10 DECDHM COC(=O)[C@]1(C)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000177420893 402400390 /nfs/dbraw/zinc/40/03/90/402400390.db2.gz NAIRHHYJMJWRFT-MRXNPFEDSA-N -1 3 309.337 2.119 20 10 DECDHM Cc1cc(C)n(CCCNC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000177665434 402424424 /nfs/dbraw/zinc/42/44/24/402424424.db2.gz GYDAGBJRICDBMH-UHFFFAOYSA-N -1 3 303.362 2.040 20 10 DECDHM O=C1NCCN1C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000183389690 402762742 /nfs/dbraw/zinc/76/27/42/402762742.db2.gz YPSAPSJEMGOJSZ-UHFFFAOYSA-N -1 3 309.797 2.035 20 10 DECDHM COc1c([O-])c(CN2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000280492813 403005729 /nfs/dbraw/zinc/00/57/29/403005729.db2.gz FLQSGZOLOAIEJC-QMTHXVAHSA-N -1 3 322.361 2.308 20 10 DECDHM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])C1 ZINC000282248351 403136662 /nfs/dbraw/zinc/13/66/62/403136662.db2.gz 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/nfs/dbraw/zinc/16/49/72/690164972.db2.gz CGGABHUYUKZELT-NSHDSACASA-N -1 3 306.316 2.147 20 10 DECDHM CN1CC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000925421370 693270422 /nfs/dbraw/zinc/27/04/22/693270422.db2.gz DLRGSEBXSYKJFJ-SNVBAGLBSA-N -1 3 318.204 2.202 20 10 DECDHM Cn1cnnc1C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527067 780794727 /nfs/dbraw/zinc/79/47/27/780794727.db2.gz JHJSRIMQWRREFG-UHFFFAOYSA-N -1 3 308.332 2.179 20 10 DECDHM Oc1ccc(CNc2cc(F)cc(-c3nnn[n-]3)c2)cc1O ZINC001169997260 785849204 /nfs/dbraw/zinc/84/92/04/785849204.db2.gz XTTMGQPTQKVSBH-UHFFFAOYSA-N -1 3 301.281 2.029 20 10 DECDHM Oc1ccc(CNc2cc(F)cc(-c3nn[n-]n3)c2)cc1O ZINC001169997260 785849215 /nfs/dbraw/zinc/84/92/15/785849215.db2.gz XTTMGQPTQKVSBH-UHFFFAOYSA-N -1 3 301.281 2.029 20 10 DECDHM Cn1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001147353435 791517113 /nfs/dbraw/zinc/51/71/13/791517113.db2.gz XKFWOLNKBSSFQB-UHFFFAOYSA-N -1 3 316.748 2.257 20 10 DECDHM COC(=O)c1ccnc(Cl)c1NC(=O)c1cccc(O)c1[O-] ZINC001148213168 791710345 /nfs/dbraw/zinc/71/03/45/791710345.db2.gz YXNLLQJQGWJXKZ-UHFFFAOYSA-N -1 3 322.704 2.185 20 10 DECDHM Cc1nc([C@H]2CCCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC001148214714 791710717 /nfs/dbraw/zinc/71/07/17/791710717.db2.gz VOPBIQUAEYAPEW-LLVKDONJSA-N -1 3 303.318 2.157 20 10 DECDHM Nc1cccc(-c2cccc(NC(=O)c3cccc(O)c3[O-])n2)n1 ZINC001148212547 791710822 /nfs/dbraw/zinc/71/08/22/791710822.db2.gz DAZLTDXTMDCFAC-UHFFFAOYSA-N -1 3 322.324 2.389 20 10 DECDHM O=C(N[C@@H](c1ccnc(F)c1)C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148590043 791778698 /nfs/dbraw/zinc/77/86/98/791778698.db2.gz AAWKXCHHHUMIAX-CQSZACIVSA-N -1 3 318.304 2.219 20 10 DECDHM [O-]c1cccc(F)c1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001137839785 796145035 /nfs/dbraw/zinc/14/50/35/796145035.db2.gz JPYIWFCOIOMLNE-UHFFFAOYSA-N -1 3 322.771 2.297 20 10 DECDHM C[C@@]1(O)CCN(Cc2c([O-])cccc2Br)C[C@@H]1F ZINC001140098419 796477469 /nfs/dbraw/zinc/47/74/69/796477469.db2.gz BGQHQSCPTXVWGQ-QWHCGFSZSA-N -1 3 318.186 2.450 20 10 DECDHM COc1ccc(N2CCN(Cc3ccncc3[O-])CC2)c(C)c1 ZINC001140282467 796501577 /nfs/dbraw/zinc/50/15/77/796501577.db2.gz ZSRRWTZQMAYXEK-UHFFFAOYSA-N -1 3 313.401 2.426 20 10 DECDHM O=C(N1CCCC1)C12CC(C1)CN2Cc1cc(F)c(F)cc1[O-] ZINC001142517426 796747191 /nfs/dbraw/zinc/74/71/91/796747191.db2.gz MSWWUJCVGZQCKF-UHFFFAOYSA-N -1 3 322.355 2.257 20 10 DECDHM Cc1cc2nc(C)cc(C(=O)NCc3c([O-])cccc3F)n2n1 ZINC001156170716 797938165 /nfs/dbraw/zinc/93/81/65/797938165.db2.gz SRSLIXGDESLNKX-UHFFFAOYSA-N -1 3 314.320 2.121 20 10 DECDHM [O-]c1ccc(Cl)cc1CN1Cc2ccnn2CC[C@H]1CO ZINC001203664692 800102243 /nfs/dbraw/zinc/10/22/43/800102243.db2.gz QEIWMZGRRFLQDB-AWEZNQCLSA-N -1 3 307.781 2.009 20 10 DECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC001231452501 801668766 /nfs/dbraw/zinc/66/87/66/801668766.db2.gz PZIKPYBQNYFNOJ-HNNXBMFYSA-N -1 3 314.341 2.139 20 10 DECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC001231452501 801668770 /nfs/dbraw/zinc/66/87/70/801668770.db2.gz PZIKPYBQNYFNOJ-HNNXBMFYSA-N -1 3 314.341 2.139 20 10 DECDHM [O-]c1c(Cl)cccc1CN1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001231911553 801748931 /nfs/dbraw/zinc/74/89/31/801748931.db2.gz NWCYYODPEOIZBL-GASCZTMLSA-N -1 3 322.836 2.341 20 10 DECDHM [O-]c1cc(O)c(CN2CCN(CC(F)F)CC2)cc1Cl ZINC001232262237 801831593 /nfs/dbraw/zinc/83/15/93/801831593.db2.gz CSOCGHHYHFUXMH-UHFFFAOYSA-N -1 3 306.740 2.134 20 10 DECDHM CC(C)C(=O)N[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336454 802079622 /nfs/dbraw/zinc/07/96/22/802079622.db2.gz MEYFGYZXVCLZRE-LLVKDONJSA-N -1 3 312.360 2.407 20 10 DECDHM CN(C)C(=O)[C@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333822 802079660 /nfs/dbraw/zinc/07/96/60/802079660.db2.gz JDERJQCPFSMBTN-GFCCVEGCSA-N -1 3 324.371 2.361 20 10 DECDHM Cc1ccnc(O[C@@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336389 802079798 /nfs/dbraw/zinc/07/97/98/802079798.db2.gz KBJPEAKOZBWVQW-LLVKDONJSA-N -1 3 321.327 2.422 20 10 DECDHM COCCN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233416446 802111283 /nfs/dbraw/zinc/11/12/83/802111283.db2.gz IINCQLBTFORQEH-UHFFFAOYSA-N -1 3 318.339 2.175 20 10 DECDHM CCN1C[C@@H](C)N(Cc2ccc(C(F)(F)F)cc2[O-])CC1=O ZINC001233455480 802121595 /nfs/dbraw/zinc/12/15/95/802121595.db2.gz MKOJGJDQPYCIGU-SNVBAGLBSA-N -1 3 316.323 2.464 20 10 DECDHM CN(C)c1ccc(CN(C(=O)c2cnncc2[O-])C2CC2)cc1 ZINC001335636402 1150482885 /nfs/dbraw/zinc/48/28/85/1150482885.db2.gz YJTUIKWJZPZXTD-UHFFFAOYSA-N -1 3 312.373 2.053 20 10 DECDHM CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001594989244 982839483 /nfs/dbraw/zinc/83/94/83/982839483.db2.gz IGBYDUDSIMWOJW-QWRGUYRKSA-N -1 3 308.378 2.046 20 10 DECDHM CC(C)(NCc1cc(F)c(F)cc1O)c1cc(C(=O)[O-])on1 ZINC001590871297 990776698 /nfs/dbraw/zinc/77/66/98/990776698.db2.gz MJHKHKMYGGENCV-UHFFFAOYSA-N -1 3 312.272 2.382 20 10 DECDHM CN(C)c1ccc(CNCc2cc(C(=O)[O-])n(C)c2)cc1F ZINC001598320762 991320113 /nfs/dbraw/zinc/32/01/13/991320113.db2.gz RDGWLTYKCIDTBV-UHFFFAOYSA-N -1 3 305.353 2.218 20 10 DECDHM COC1([C@@H](C)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1 ZINC001599084041 997062714 /nfs/dbraw/zinc/06/27/14/997062714.db2.gz OQLDVUAUCQUZOL-VXGBXAGGSA-N -1 3 323.389 2.325 20 10 DECDHM CC(C)CCOCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603283591 1069931547 /nfs/dbraw/zinc/93/15/47/1069931547.db2.gz XCIMAUVSMMIWRV-GFCCVEGCSA-N -1 3 319.409 2.286 20 10 DECDHM COC[C@](C)(CC(=O)[O-])NCc1cc(F)c(N(C)C)cc1F ZINC001606785368 1071213560 /nfs/dbraw/zinc/21/35/60/1071213560.db2.gz LYPNVDUWKUEEAX-HNNXBMFYSA-N -1 3 316.348 2.000 20 10 DECDHM CSc1ccc([O-])c(C(=O)NCc2ccc(O)cc2O)c1 ZINC001469160852 1059909887 /nfs/dbraw/zinc/90/98/87/1059909887.db2.gz VEHGFNQMGFOTAJ-UHFFFAOYSA-N -1 3 305.355 2.455 20 10 DECDHM NC(=O)[C@H](NCc1cc(F)c(F)cc1[O-])c1ccc(F)cc1 ZINC001621229685 1078171594 /nfs/dbraw/zinc/17/15/94/1078171594.db2.gz KHMHZMRAJDVAMI-CQSZACIVSA-N -1 3 310.275 2.126 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1csc(-c2ncc[nH]2)n1 ZINC001635366551 1078448936 /nfs/dbraw/zinc/44/89/36/1078448936.db2.gz AUAZPYYRPBSHQK-UHFFFAOYSA-N -1 3 318.333 2.308 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cc(C(F)(F)F)n[nH]1 ZINC001638862606 1078584788 /nfs/dbraw/zinc/58/47/88/1078584788.db2.gz CTLZQKBXKOGFLN-UHFFFAOYSA-N -1 3 303.215 2.203 20 10 DECDHM O=C(CSCc1ccncc1)NCc1c([O-])cccc1F ZINC001645048172 1078874532 /nfs/dbraw/zinc/87/45/32/1078874532.db2.gz JNEKLJRXVGMCHM-UHFFFAOYSA-N -1 3 306.362 2.476 20 10 DECDHM C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc(O)c1[O-] ZINC001566701067 1075320397 /nfs/dbraw/zinc/32/03/97/1075320397.db2.gz SUPKVDQQWAGVJL-BXKDBHETSA-N -1 3 307.371 2.401 20 10 DECDHM C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@H]1CCCOC1 ZINC001589949973 1076532803 /nfs/dbraw/zinc/53/28/03/1076532803.db2.gz PDXMTHXRNWOBBM-WOPDTQHZSA-N -1 3 317.393 2.038 20 10 DECDHM CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462465 1076631430 /nfs/dbraw/zinc/63/14/30/1076631430.db2.gz CQKUVAIOZJBCSB-KGLIPLIRSA-N -1 3 317.393 2.038 20 10 DECDHM CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466719 1076633180 /nfs/dbraw/zinc/63/31/80/1076633180.db2.gz MDUCYDDXIMWTJC-FZMZJTMJSA-N -1 3 315.377 2.306 20 10 DECDHM CC[C@@H]([NH2+]CCCOC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467605 1076634373 /nfs/dbraw/zinc/63/43/73/1076634373.db2.gz RDGQGBQJNRLXEF-CQSZACIVSA-N -1 3 319.409 2.428 20 10 DECDHM CC[C@@H]([NH2+]CCC(C)(C)OC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469025 1076635169 /nfs/dbraw/zinc/63/51/69/1076635169.db2.gz XFWUTADXMOZEGQ-CYBMUJFWSA-N -1 3 319.409 2.428 20 10 DECDHM O=C(N[C@@H]1c2ccccc2OC[C@H]1F)c1cccc(O)c1[O-] ZINC001651796482 1079834097 /nfs/dbraw/zinc/83/40/97/1079834097.db2.gz RHSZAOALIUWKRI-BXUZGUMPSA-N -1 3 303.289 2.299 20 10 DECDHM [O-]c1c(CNc2c[n+]([O-])ccn2)cc(Cl)c2cccnc12 ZINC001168528299 1080567753 /nfs/dbraw/zinc/56/77/53/1080567753.db2.gz SGLMOYMGORLGNM-UHFFFAOYSA-N -1 3 302.721 2.234 20 10 DECDHM COC(=O)N1CC(NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001662260992 1080589466 /nfs/dbraw/zinc/58/94/66/1080589466.db2.gz BHXPIKZZKBYVEG-UHFFFAOYSA-N -1 3 305.161 2.239 20 10 DECDHM [O-]c1c(F)cccc1CN1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001276537931 1083484194 /nfs/dbraw/zinc/48/41/94/1083484194.db2.gz QPRQBKIMGWTQPM-UHFFFAOYSA-N -1 3 301.365 2.177 20 10 DECDHM CCN1C(=O)CN(Cc2cccc(-c3ccccc3)c2[O-])CC1=O ZINC001235001595 1084265710 /nfs/dbraw/zinc/26/57/10/1084265710.db2.gz NOIMUDRPOVFNJK-UHFFFAOYSA-N -1 3 324.380 2.250 20 10 DECDHM [O-]c1c(Br)cc(F)cc1CN1CCN2CC[C@H]2C1 ZINC001235309005 1084382478 /nfs/dbraw/zinc/38/24/78/1084382478.db2.gz RZNYQQMUBLVGFR-NSHDSACASA-N -1 3 315.186 2.184 20 10 DECDHM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001275270731 1091646756 /nfs/dbraw/zinc/64/67/56/1091646756.db2.gz HBLKPJHMPUOFDA-OKILXGFUSA-N -1 3 323.824 2.422 20 10 DECDHM CC(=O)N[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237085309 1138499836 /nfs/dbraw/zinc/49/98/36/1138499836.db2.gz XSKVRYWEOHFSAE-SECBINFHSA-N -1 3 303.189 2.409 20 10 DECDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001309768793 1147507720 /nfs/dbraw/zinc/50/77/20/1147507720.db2.gz JCOAIKUZRMQXLE-SNVBAGLBSA-N -1 3 322.342 2.340 20 10 DECDHM NC(=O)c1cc(NC(=O)NCc2c([O-])cccc2F)cs1 ZINC001310803596 1147523102 /nfs/dbraw/zinc/52/31/02/1147523102.db2.gz UDRUFYQHANVFBR-UHFFFAOYSA-N -1 3 309.322 2.013 20 10 DECDHM CC(=O)NC[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079404031 185169137 /nfs/dbraw/zinc/16/91/37/185169137.db2.gz BOGBAXWQFKXFJN-ZDUSSCGKSA-N -1 3 322.380 2.082 20 10 DECDHM CCCOc1ccc(CN2CC[C@@](F)(C(=O)OC)C2)c([O-])c1 ZINC000093887993 355689788 /nfs/dbraw/zinc/68/97/88/355689788.db2.gz QXDSCSAUPHOVLX-INIZCTEOSA-N -1 3 311.353 2.268 20 10 DECDHM C[C@@H](O)CN1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000294619717 224123008 /nfs/dbraw/zinc/12/30/08/224123008.db2.gz JCOZPIWMXJNRHW-WDEREUQCSA-N -1 3 316.804 2.072 20 10 DECDHM CCn1cc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cn1 ZINC000294839410 224256906 /nfs/dbraw/zinc/25/69/06/224256906.db2.gz MHHQCLWGCMPOGD-SNVBAGLBSA-N -1 3 320.349 2.376 20 10 DECDHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c([O-])c1O ZINC000177677587 292051920 /nfs/dbraw/zinc/05/19/20/292051920.db2.gz KXGKKZGEXQHGJS-GFCCVEGCSA-N -1 3 301.346 2.497 20 10 DECDHM CCOC(=O)CN(CC(C)C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000271234398 285743527 /nfs/dbraw/zinc/74/35/27/285743527.db2.gz BVYPMJLONWUVKK-UHFFFAOYSA-N -1 3 309.362 2.068 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN2CCC(CC(N)=O)CC2)c1[O-] ZINC000129068284 401798406 /nfs/dbraw/zinc/79/84/06/401798406.db2.gz GDHAQIMMBCSVQT-UHFFFAOYSA-N -1 3 324.808 2.336 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)C[S@](C)=O)c1[O-] ZINC000126220384 402269983 /nfs/dbraw/zinc/26/99/83/402269983.db2.gz MBRGQBUNEYFKDP-GSDQLPOLSA-N -1 3 317.838 2.447 20 10 DECDHM C[C@H](NCC(F)(F)CO)c1cc(Br)ccc1[O-] ZINC000184694046 402292016 /nfs/dbraw/zinc/29/20/16/402292016.db2.gz DMEIVXUFQHSPSG-ZETCQYMHSA-N -1 3 310.138 2.433 20 10 DECDHM Cc1cccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000184770957 402298671 /nfs/dbraw/zinc/29/86/71/402298671.db2.gz LARSHZOERHWWPW-UHFFFAOYSA-N -1 3 312.369 2.369 20 10 DECDHM CNC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177159382 402376245 /nfs/dbraw/zinc/37/62/45/402376245.db2.gz YPKLTBBAZMWQHE-LLVKDONJSA-N -1 3 324.808 2.206 20 10 DECDHM COCCN(Cc1ccc(C)o1)C(=O)c1cccc(O)c1[O-] ZINC000187190840 402487195 /nfs/dbraw/zinc/48/71/95/402487195.db2.gz RKSDOKUHJQFSCF-UHFFFAOYSA-N -1 3 305.330 2.288 20 10 DECDHM O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000187201055 402487800 /nfs/dbraw/zinc/48/78/00/402487800.db2.gz JWPCGFHYTBJYFO-INIZCTEOSA-N -1 3 313.353 2.341 20 10 DECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CC ZINC000174065451 402725468 /nfs/dbraw/zinc/72/54/68/402725468.db2.gz OBDUSYQFCUIWFH-UHFFFAOYSA-N -1 3 322.224 2.326 20 10 DECDHM COCCOCCOCCN(C)Cc1c([O-])cccc1Cl ZINC000276249110 403157457 /nfs/dbraw/zinc/15/74/57/403157457.db2.gz VANZFIKYJHNBPL-UHFFFAOYSA-N -1 3 317.813 2.157 20 10 DECDHM CS(=O)(=O)CCN(Cc1c([O-])cccc1Cl)C1CC1 ZINC000271202666 403278122 /nfs/dbraw/zinc/27/81/22/403278122.db2.gz YCGOHVXKZXKZLA-UHFFFAOYSA-N -1 3 303.811 2.055 20 10 DECDHM CC(=O)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294991013 403739382 /nfs/dbraw/zinc/73/93/82/403739382.db2.gz UCHOYCWPWIPYBS-UHFFFAOYSA-N -1 3 300.761 2.239 20 10 DECDHM NC(=O)CC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295382989 403893532 /nfs/dbraw/zinc/89/35/32/403893532.db2.gz PGAONWMRIVKLAY-UHFFFAOYSA-N -1 3 300.761 2.272 20 10 DECDHM Cc1ccc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c([O-])c1O ZINC000364300280 404337982 /nfs/dbraw/zinc/33/79/82/404337982.db2.gz KOZHHKLRVGSRDW-GFCCVEGCSA-N -1 3 317.345 2.034 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCO[C@]3(CCO[C@H]3C)C2)c1[O-] ZINC000365562497 404691569 /nfs/dbraw/zinc/69/15/69/404691569.db2.gz YJJVVLVIRSAJLC-YVEFUNNKSA-N -1 3 323.364 2.114 20 10 DECDHM C[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])CCS1(=O)=O ZINC000192049257 225123258 /nfs/dbraw/zinc/12/32/58/225123258.db2.gz QNIDZDJDDJJJRY-SNVBAGLBSA-N -1 3 303.811 2.055 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)c([O-])c1O ZINC000373117769 227103765 /nfs/dbraw/zinc/10/37/65/227103765.db2.gz KEZMOFJZOAVPLX-GFCCVEGCSA-N -1 3 315.373 2.160 20 10 DECDHM Cn1cc2c(n1)CCC[C@H]2NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000280046319 294325812 /nfs/dbraw/zinc/32/58/12/294325812.db2.gz JIHCVRCYCSQSEU-CYBMUJFWSA-N -1 3 302.334 2.201 20 10 DECDHM CCCOc1ccc(CN2CCCC[C@H]2C(=O)NC)c([O-])c1 ZINC000179947194 520349072 /nfs/dbraw/zinc/34/90/72/520349072.db2.gz QUNWXPUWKLRXTQ-HNNXBMFYSA-N -1 3 306.406 2.282 20 10 DECDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C[C@@H](O)C(F)(F)F ZINC000189525606 521291892 /nfs/dbraw/zinc/29/18/92/521291892.db2.gz JWTUFBZLUNPDOM-GFCCVEGCSA-N -1 3 323.286 2.479 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1CO ZINC000191732117 524985527 /nfs/dbraw/zinc/98/55/27/524985527.db2.gz BQHQNRNVXOPAAI-SCZZXKLOSA-N -1 3 300.742 2.014 20 10 DECDHM Cc1cc(Br)cc(CN2C[C@@H](F)C[C@H]2CO)c1[O-] 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O=C(NCCCc1nc2ccccc2[nH]1)c1cccc(O)c1[O-] ZINC000187023702 636726215 /nfs/dbraw/zinc/72/62/15/636726215.db2.gz DUEXSLHGVFVREG-UHFFFAOYSA-N -1 3 311.341 2.337 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000923973595 636757770 /nfs/dbraw/zinc/75/77/70/636757770.db2.gz QSPYBRKSPLADHP-ZETOZRRWSA-N -1 3 308.353 2.288 20 10 DECDHM O=C1NC2(CO1)CCN(Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC000753586837 639318235 /nfs/dbraw/zinc/31/82/35/639318235.db2.gz JYLJFQULIGMJRB-UHFFFAOYSA-N -1 3 314.744 2.259 20 10 DECDHM CC(C)(C)OC(=O)NC1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928706135 639486002 /nfs/dbraw/zinc/48/60/02/639486002.db2.gz RMWCIDVANWXKQO-UHFFFAOYSA-N -1 3 324.352 2.205 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1coc(C2CCOCC2)n1 ZINC000928708523 639487744 /nfs/dbraw/zinc/48/77/44/639487744.db2.gz NMQBLURAEFAAGC-UHFFFAOYSA-N -1 3 320.320 2.343 20 10 DECDHM C[C@H](NCc1nnc2n1CCCC2)c1cc(F)cc(F)c1[O-] ZINC000760869966 640237594 /nfs/dbraw/zinc/23/75/94/640237594.db2.gz 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CC(C)(O)CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816501248 647142708 /nfs/dbraw/zinc/14/27/08/647142708.db2.gz CDPYOFXZOKENOY-UHFFFAOYSA-N -1 3 316.804 2.073 20 10 DECDHM COCCN(CC(=O)OC)Cc1ccc2ccccc2c1[O-] ZINC000816512096 647144323 /nfs/dbraw/zinc/14/43/23/647144323.db2.gz XMEFHVMFFVOPLQ-UHFFFAOYSA-N -1 3 303.358 2.167 20 10 DECDHM CC1(C)CN(Cc2cc(Cl)c(F)cc2[O-])CCN1CCO ZINC000816584239 647155620 /nfs/dbraw/zinc/15/56/20/647155620.db2.gz FZEJRJSRDOJDQG-UHFFFAOYSA-N -1 3 316.804 2.073 20 10 DECDHM CC(C)[C@H]1OCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000921327524 648293506 /nfs/dbraw/zinc/29/35/06/648293506.db2.gz GWMDGLVHWNUZTH-XHDPSFHLSA-N -1 3 310.369 2.392 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000921468402 648314641 /nfs/dbraw/zinc/31/46/41/648314641.db2.gz NVHUEZJKTFRHEI-YVLXSGLVSA-N -1 3 308.353 2.288 20 10 DECDHM Cc1cc([O-])c(CN2CCN(c3ncccn3)CC2)cc1Cl ZINC000824491477 648596783 /nfs/dbraw/zinc/59/67/83/648596783.db2.gz RWZOPETVVIOVNG-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CCC2(C1)OCCO2 ZINC000824702398 648638609 /nfs/dbraw/zinc/63/86/09/648638609.db2.gz PIXUFNSPSVDFFY-UHFFFAOYSA-N -1 3 314.179 2.104 20 10 DECDHM Cc1cc([O-])c(CN2CCN3C(=O)OCC[C@@H]3C2)cc1Cl ZINC000824947958 648676823 /nfs/dbraw/zinc/67/68/23/648676823.db2.gz ACACPPATYIVAIQ-GFCCVEGCSA-N -1 3 310.781 2.381 20 10 DECDHM O=C1CC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@H]2N1 ZINC000827133385 648978351 /nfs/dbraw/zinc/97/83/51/648978351.db2.gz UIVNGYUBMPMNTC-TVQRCGJNSA-N -1 3 312.772 2.285 20 10 DECDHM CC(C)OC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000848344836 651453351 /nfs/dbraw/zinc/45/33/51/651453351.db2.gz OZCGGQKFJUENDJ-GFCCVEGCSA-N -1 3 309.362 2.194 20 10 DECDHM CC1(C)Cc2n[nH]cc2CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000852980165 652487083 /nfs/dbraw/zinc/48/70/83/652487083.db2.gz MJIMZIOCVUJAHF-UHFFFAOYSA-N -1 3 301.346 2.046 20 10 DECDHM CS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000313415664 685305200 /nfs/dbraw/zinc/30/52/00/685305200.db2.gz 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COc1c([O-])c(C[NH2+]Cc2c([O-])cccc2F)ccc1[N+](=O)[O-] ZINC001183920357 795962421 /nfs/dbraw/zinc/96/24/21/795962421.db2.gz XGMARLZFAWVLIN-UHFFFAOYSA-N -1 3 322.292 2.444 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cc(-n2cccn2)ccn1 ZINC001156170078 797938279 /nfs/dbraw/zinc/93/82/79/797938279.db2.gz FQWAQVAADURATC-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM CC(=O)c1ccc(NC(=S)NCc2ncccc2[O-])cc1 ZINC001196577882 798080074 /nfs/dbraw/zinc/08/00/74/798080074.db2.gz PSRFKFKBKQXNKL-UHFFFAOYSA-N -1 3 301.371 2.476 20 10 DECDHM COc1cc([O-])c(CN2CCC(F)(F)[C@H](N)C2)c(Cl)c1 ZINC001206684483 800574296 /nfs/dbraw/zinc/57/42/96/800574296.db2.gz SGFFTHXBBXNEKC-GFCCVEGCSA-N -1 3 306.740 2.223 20 10 DECDHM Cc1cc([O-])c(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc1Cl ZINC001231866761 801740382 /nfs/dbraw/zinc/74/03/82/801740382.db2.gz DGIMWNCNJIYHDB-DIOULYMOSA-N -1 3 311.809 2.326 20 10 DECDHM COc1cc([O-])c(CN2C[C@H](F)C[C@@H](CO)C2)cc1Cl ZINC001232266071 801832334 /nfs/dbraw/zinc/83/23/34/801832334.db2.gz IJDKZZZFIMMIAZ-MWLCHTKSSA-N -1 3 303.761 2.207 20 10 DECDHM COc1cc([O-])c(CN2CCN(CC(F)F)CC2)cc1Cl ZINC001232267688 801834175 /nfs/dbraw/zinc/83/41/75/801834175.db2.gz DSPSTPMQHXFQBW-UHFFFAOYSA-N -1 3 320.767 2.437 20 10 DECDHM COc1cc([O-])c(CN2CCc3nn(C)cc3C2)cc1Cl ZINC001232267360 801834256 /nfs/dbraw/zinc/83/42/56/801834256.db2.gz ANYYASBUBJLTRD-UHFFFAOYSA-N -1 3 307.781 2.346 20 10 DECDHM [O-]c1ccc(F)c(F)c1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001233332479 802076995 /nfs/dbraw/zinc/07/69/95/802076995.db2.gz MIUUIKOGGLIISO-APPZFPTMSA-N -1 3 311.250 2.273 20 10 DECDHM CN1CC2(CC1=O)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233335916 802078946 /nfs/dbraw/zinc/07/89/46/802078946.db2.gz QZMAVLBFZSFCKT-UHFFFAOYSA-N -1 3 310.344 2.115 20 10 DECDHM COCCCCN1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336496 802080207 /nfs/dbraw/zinc/08/02/07/802080207.db2.gz NUWBAFSZUFELOA-UHFFFAOYSA-N -1 3 314.376 2.215 20 10 DECDHM [O-]c1c(CN2CCc3nncn3CC2)cccc1C(F)(F)F ZINC001233416651 802111347 /nfs/dbraw/zinc/11/13/47/802111347.db2.gz QKCWKXLDJMDKOB-UHFFFAOYSA-N -1 3 312.295 2.061 20 10 DECDHM CC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233452602 802121249 /nfs/dbraw/zinc/12/12/49/802121249.db2.gz DHZXECBETKXHEV-UHFFFAOYSA-N -1 3 302.296 2.075 20 10 DECDHM CCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233451462 802121431 /nfs/dbraw/zinc/12/14/31/802121431.db2.gz LKYOQRJXLSTMPX-UHFFFAOYSA-N -1 3 316.323 2.465 20 10 DECDHM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452274 802121660 /nfs/dbraw/zinc/12/16/60/802121660.db2.gz QEDRCSVFPMFCJU-MNOVXSKESA-N -1 3 321.270 2.496 20 10 DECDHM C[C@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccccn1 ZINC001603552237 1069985582 /nfs/dbraw/zinc/98/55/82/1069985582.db2.gz UUIGQCYOKRQVPL-VXGBXAGGSA-N -1 3 324.388 2.422 20 10 DECDHM CC[C@@H]([NH2+]CC(C)(C)CCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055724 1070189799 /nfs/dbraw/zinc/18/97/99/1070189799.db2.gz OIOOGCKWDSOSJM-CYBMUJFWSA-N -1 3 319.409 2.022 20 10 DECDHM O=C(CN1CCc2ccccc21)NCc1c([O-])cccc1F ZINC001471974800 1060352182 /nfs/dbraw/zinc/35/21/82/1060352182.db2.gz KRZRVUDGDGTXDF-UHFFFAOYSA-N -1 3 300.333 2.210 20 10 DECDHM Cn1ccc(-c2cc(C(=O)NCc3c([O-])cccc3F)[nH]n2)c1 ZINC001471975930 1060352540 /nfs/dbraw/zinc/35/25/40/1060352540.db2.gz MYNVFZDKGBDNMG-UHFFFAOYSA-N -1 3 314.320 2.190 20 10 DECDHM COC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1O ZINC001567581592 1064263384 /nfs/dbraw/zinc/26/33/84/1064263384.db2.gz DPEGUBOYCRNECD-UHFFFAOYSA-N -1 3 317.297 2.151 20 10 DECDHM Cc1noc2ncc(C(=O)NCc3c([O-])cccc3F)cc12 ZINC001646028353 1079082658 /nfs/dbraw/zinc/08/26/58/1079082658.db2.gz GLULBFJWXPFOOR-UHFFFAOYSA-N -1 3 301.277 2.306 20 10 DECDHM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001646028343 1079083062 /nfs/dbraw/zinc/08/30/62/1079083062.db2.gz GFXGVDDIOYFIAK-HWPZZCPQSA-N -1 3 317.316 2.376 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCSC[C@@H]1c1nccs1 ZINC001556264732 1075024925 /nfs/dbraw/zinc/02/49/25/1075024925.db2.gz AHSMJIZMTKECBT-SNVBAGLBSA-N -1 3 322.411 2.485 20 10 DECDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N(C)Cc2ccccc2O)c1 ZINC001588902704 1076466894 /nfs/dbraw/zinc/46/68/94/1076466894.db2.gz XMRYOHHSDOUEHK-UHFFFAOYSA-N -1 3 323.356 2.411 20 10 DECDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N(C)Cc2ccccc2O)c1 ZINC001588902704 1076466896 /nfs/dbraw/zinc/46/68/96/1076466896.db2.gz XMRYOHHSDOUEHK-UHFFFAOYSA-N -1 3 323.356 2.411 20 10 DECDHM C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962093 1076536994 /nfs/dbraw/zinc/53/69/94/1076536994.db2.gz GJRIIEQYKPIKTN-WDEREUQCSA-N -1 3 317.393 2.038 20 10 DECDHM CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462882 1076631421 /nfs/dbraw/zinc/63/14/21/1076631421.db2.gz GGVJAJIDWNWPNV-BXUZGUMPSA-N -1 3 319.409 2.020 20 10 DECDHM CC[C@H]([NH2+]CCOC(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470248 1076635267 /nfs/dbraw/zinc/63/52/67/1076635267.db2.gz PMGHRPVLMFSWPK-ZDUSSCGKSA-N -1 3 319.409 2.428 20 10 DECDHM CCN1C(=O)C(=Cc2cccc(-c3nnn[n-]3)c2)SC1=S ZINC001590725760 1076672331 /nfs/dbraw/zinc/67/23/31/1076672331.db2.gz MUIIEHXAVJVZLE-JXMROGBWSA-N -1 3 317.399 2.088 20 10 DECDHM CCN1C(=O)C(=Cc2cccc(-c3nn[n-]n3)c2)SC1=S ZINC001590725760 1076672333 /nfs/dbraw/zinc/67/23/33/1076672333.db2.gz MUIIEHXAVJVZLE-JXMROGBWSA-N -1 3 317.399 2.088 20 10 DECDHM CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591359491 1076734025 /nfs/dbraw/zinc/73/40/25/1076734025.db2.gz DBTUDPPCQTXZTQ-MISXGVKJSA-N -1 3 317.393 2.038 20 10 DECDHM Cc1nnc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])s1 ZINC001600795583 1077272671 /nfs/dbraw/zinc/27/26/71/1077272671.db2.gz OVHPMXLJZYKMOV-QMMMGPOBSA-N -1 3 307.375 2.144 20 10 DECDHM Cn1cncc1CNCc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001600994107 1077316840 /nfs/dbraw/zinc/31/68/40/1077316840.db2.gz CCQABEUEKCRGJO-UHFFFAOYSA-N -1 3 316.336 2.039 20 10 DECDHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)c(O)c1 ZINC001609355921 1077840129 /nfs/dbraw/zinc/84/01/29/1077840129.db2.gz ZCRBQZIXMJWGIW-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])C(=O)NCc1ccccc1 ZINC001656962860 1080144093 /nfs/dbraw/zinc/14/40/93/1080144093.db2.gz LAEBCKIJLZKLEX-LLVKDONJSA-N -1 3 320.339 2.465 20 10 DECDHM [O-]c1cc(F)c(F)cc1CNc1cnccc1-n1ccnn1 ZINC001659165544 1080233765 /nfs/dbraw/zinc/23/37/65/1080233765.db2.gz MVJFXJJQUFBXKT-UHFFFAOYSA-N -1 3 303.272 2.258 20 10 DECDHM COC(=O)[C@H](C)N(C)Cc1cc(Br)c(C)cc1[O-] ZINC001237678720 1080473247 /nfs/dbraw/zinc/47/32/47/1080473247.db2.gz LIXNDUQRVAJFMH-VIFPVBQESA-N -1 3 316.195 2.456 20 10 DECDHM CCOC(=O)c1cc(CNCc2cc(F)c(F)cc2[O-])on1 ZINC001665489744 1081033723 /nfs/dbraw/zinc/03/37/23/1081033723.db2.gz ODCDNNQPPPTVPJ-UHFFFAOYSA-N -1 3 312.272 2.125 20 10 DECDHM Cc1ccc(F)c(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001665657660 1081056609 /nfs/dbraw/zinc/05/66/09/1081056609.db2.gz HVZHMHJANFQXCK-UHFFFAOYSA-N -1 3 313.325 2.457 20 10 DECDHM Cc1cc([O-])c(CN2CCn3cnc(CO)c3C2)cc1Cl ZINC001235508260 1084451594 /nfs/dbraw/zinc/45/15/94/1084451594.db2.gz SDXHELHTJHNGCK-UHFFFAOYSA-N -1 3 307.781 2.059 20 10 DECDHM CC(C)NC(=O)N1CC2(CN(Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001275271189 1091646197 /nfs/dbraw/zinc/64/61/97/1091646197.db2.gz KPKYIXSGYFLIGK-UHFFFAOYSA-N -1 3 323.824 2.281 20 10 DECDHM NC(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237077058 1138499689 /nfs/dbraw/zinc/49/96/89/1138499689.db2.gz CBHITXOUPWYXRD-UHFFFAOYSA-N -1 3 318.204 2.332 20 10 DECDHM CN(C1CN(Cc2cc(F)c(Cl)cc2[O-])C1)[C@@H]1CCOC1 ZINC001237950688 1138812320 /nfs/dbraw/zinc/81/23/20/1138812320.db2.gz YWADEKVZLIEQHN-LLVKDONJSA-N -1 3 314.788 2.090 20 10 DECDHM COC(=O)CN(Cc1cc(F)cc(C(C)=O)c1[O-])CC(C)C ZINC001340272633 1143313637 /nfs/dbraw/zinc/31/36/37/1143313637.db2.gz GNQMIOOJDQPJIH-UHFFFAOYSA-N -1 3 311.353 2.365 20 10 DECDHM NC(=O)c1cc(NC(=O)NCc2c([O-])cccc2F)ccc1F ZINC001309976815 1147511785 /nfs/dbraw/zinc/51/17/85/1147511785.db2.gz ISUYHOUWXOGWPF-UHFFFAOYSA-N -1 3 321.283 2.091 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1cnn(CC(F)F)c1 ZINC001310352831 1147516270 /nfs/dbraw/zinc/51/62/70/1147516270.db2.gz RTHCHYUHXJOWCC-UHFFFAOYSA-N -1 3 314.267 2.315 20 10 DECDHM [O-]c1c(F)cccc1CN1CCCN(c2ncccn2)CC1 ZINC000378492339 285380588 /nfs/dbraw/zinc/38/05/88/285380588.db2.gz HKJHIVHWOZHLET-UHFFFAOYSA-N -1 3 302.353 2.034 20 10 DECDHM CCOC(=O)CC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272547151 130040462 /nfs/dbraw/zinc/04/04/62/130040462.db2.gz DOJKUSDEKORCED-UHFFFAOYSA-N -1 3 321.373 2.212 20 10 DECDHM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(F)ccc2[O-])C1 ZINC000289275273 131370350 /nfs/dbraw/zinc/37/03/50/131370350.db2.gz GRPWMBBGDBUDGI-CYBMUJFWSA-N -1 3 321.270 2.459 20 10 DECDHM Cc1cc(C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n[nH]1 ZINC000297444914 132015864 /nfs/dbraw/zinc/01/58/64/132015864.db2.gz IYMQXTRHAOWYIN-UHFFFAOYSA-N -1 3 319.336 2.288 20 10 DECDHM CCCN(CC(=O)NC)Cc1cc(Br)ccc1[O-] ZINC000133294655 401881493 /nfs/dbraw/zinc/88/14/93/401881493.db2.gz LFFLTLUMARWAQC-UHFFFAOYSA-N -1 3 315.211 2.113 20 10 DECDHM O=C(C1CC1)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000119081884 401924165 /nfs/dbraw/zinc/92/41/65/401924165.db2.gz XMBHINJQBZBUPL-UHFFFAOYSA-N -1 3 308.809 2.490 20 10 DECDHM CCCOc1ccc(CN2CCN(C(=O)NCC)CC2)c([O-])c1 ZINC000121597040 402045917 /nfs/dbraw/zinc/04/59/17/402045917.db2.gz KPLKEMXPUVWQBT-UHFFFAOYSA-N -1 3 321.421 2.028 20 10 DECDHM Cn1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000070976683 402268317 /nfs/dbraw/zinc/26/83/17/402268317.db2.gz PHNVBFSNVGIMOE-INIZCTEOSA-N -1 3 301.390 2.307 20 10 DECDHM CCN(Cc1c([O-])cccc1Cl)[C@@H](C)CS(C)(=O)=O ZINC000126229942 402270940 /nfs/dbraw/zinc/27/09/40/402270940.db2.gz CQQOSUCKJSKEOU-JTQLQIEISA-N -1 3 305.827 2.301 20 10 DECDHM COc1cc(Cl)cc(CN2CCNC(=O)[C@H]2C(C)C)c1[O-] ZINC000184688473 402291948 /nfs/dbraw/zinc/29/19/48/402291948.db2.gz DDXUEDAFEAWAGF-CYBMUJFWSA-N -1 3 312.797 2.011 20 10 DECDHM O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cccc(O)c1[O-] ZINC000186911462 402471054 /nfs/dbraw/zinc/47/10/54/402471054.db2.gz WPTMBPXXOPSKMA-CYBMUJFWSA-N -1 3 312.369 2.354 20 10 DECDHM C[C@H](O)C[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000187187714 402486892 /nfs/dbraw/zinc/48/68/92/402486892.db2.gz HZTRKOQHNMNIGN-JSGCOSHPSA-N -1 3 315.369 2.382 20 10 DECDHM COc1cc(Cl)cc(CN2CCOC[C@@]23CCOC3)c1[O-] ZINC000195019087 286223199 /nfs/dbraw/zinc/22/31/99/286223199.db2.gz BHJAOEZXJDASCV-HNNXBMFYSA-N -1 3 313.781 2.046 20 10 DECDHM CC(C)Oc1cc(CNC(=O)c2cccc(O)c2[O-])ccn1 ZINC000193146215 402767616 /nfs/dbraw/zinc/76/76/16/402767616.db2.gz FKXJMFVBCODBNP-UHFFFAOYSA-N -1 3 302.330 2.210 20 10 DECDHM CC[C@@H]1CO[C@H](C)CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278284113 402862693 /nfs/dbraw/zinc/86/26/93/402862693.db2.gz UAMUJYULMQEHTJ-ZYHUDNBSSA-N -1 3 310.350 2.308 20 10 DECDHM COc1c([O-])c(CN(C)CCOCC2CC2)ccc1[N+](=O)[O-] ZINC000278299630 402863003 /nfs/dbraw/zinc/86/30/03/402863003.db2.gz VQCVMIMDGOKDIF-UHFFFAOYSA-N -1 3 310.350 2.167 20 10 DECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](CO)C2)c1[O-] ZINC000269344845 403132278 /nfs/dbraw/zinc/13/22/78/403132278.db2.gz HTTADFWTEXAUBV-VIFPVBQESA-N -1 3 300.742 2.158 20 10 DECDHM O=C(CCNC(=O)c1cccc(O)c1[O-])OC1CCCCC1 ZINC000282455594 403155047 /nfs/dbraw/zinc/15/50/47/403155047.db2.gz JCYDTQMLNKFUTD-UHFFFAOYSA-N -1 3 307.346 2.094 20 10 DECDHM COc1cc(Cl)cc(CN2CC[S@@](=O)C[C@H](C)C2)c1[O-] ZINC000277627118 403238571 /nfs/dbraw/zinc/23/85/71/403238571.db2.gz XMGUGGIMJOCXNO-CFMSYZGJSA-N -1 3 317.838 2.255 20 10 DECDHM CCC[C@@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271227199 403281988 /nfs/dbraw/zinc/28/19/88/403281988.db2.gz HRTWREIHJNYMNG-SNVBAGLBSA-N -1 3 314.407 2.024 20 10 DECDHM COc1ccncc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000293785084 403563658 /nfs/dbraw/zinc/56/36/58/403563658.db2.gz CAUFIDHZLCILRL-UHFFFAOYSA-N -1 3 319.317 2.002 20 10 DECDHM Cc1ccc(C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c([O-])c1O ZINC000295077800 403752846 /nfs/dbraw/zinc/75/28/46/403752846.db2.gz ZFZFKLNAPLFTPA-DOTOQJQBSA-N -1 3 303.358 2.190 20 10 DECDHM Cc1ccc(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)c([O-])c1O ZINC000364002449 404280776 /nfs/dbraw/zinc/28/07/76/404280776.db2.gz WINOQSGTHVGZJT-RDJZCZTQSA-N -1 3 305.374 2.341 20 10 DECDHM Cn1ccnc1C(N[C@H]1CCc2cccc([O-])c21)c1nccn1C ZINC000527947874 406794332 /nfs/dbraw/zinc/79/43/32/406794332.db2.gz OKDMMOYXEWAYCH-ZDUSSCGKSA-N -1 3 323.400 2.226 20 10 DECDHM O=C(/C=C/c1cncc([O-])c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000182034039 333148824 /nfs/dbraw/zinc/14/88/24/333148824.db2.gz RUVGGNSPXPJMPD-SNAWJCMRSA-N -1 3 311.297 2.298 20 10 DECDHM CCN(CCS(C)(=O)=O)Cc1c([O-])ccc2ccccc21 ZINC000156927270 521151691 /nfs/dbraw/zinc/15/16/91/521151691.db2.gz FULXVGHSNRVAGQ-UHFFFAOYSA-N -1 3 307.415 2.412 20 10 DECDHM COCCc1noc(CN(C)Cc2c([O-])cccc2Cl)n1 ZINC000129389695 522037320 /nfs/dbraw/zinc/03/73/20/522037320.db2.gz AVSLSGXYYXYNFD-UHFFFAOYSA-N -1 3 311.769 2.250 20 10 DECDHM CN(Cc1cc(F)ccc1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000180197741 523179484 /nfs/dbraw/zinc/17/94/84/523179484.db2.gz IKLAIDYFPZOGCS-ZFWWWQNUSA-N -1 3 315.410 2.319 20 10 DECDHM Cc1n[nH]cc1C1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000375822588 534850005 /nfs/dbraw/zinc/85/00/05/534850005.db2.gz FLJGPDRZPHSKGT-UHFFFAOYSA-N -1 3 315.373 2.458 20 10 DECDHM CCOC(=O)C1CCC(NC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272747740 535592478 /nfs/dbraw/zinc/59/24/78/535592478.db2.gz JHSNWAAXHIIDJR-UHFFFAOYSA-N -1 3 321.373 2.258 20 10 DECDHM Cc1cc(C(=O)N2CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235424 598610636 /nfs/dbraw/zinc/61/06/36/598610636.db2.gz XWAIZJXJKSXLMQ-UHFFFAOYSA-N -1 3 322.372 2.120 20 10 DECDHM COc1ccc(O)c([C@H](C)Nc2ncccc2-c2nnn[n-]2)c1 ZINC000737106402 598756331 /nfs/dbraw/zinc/75/63/31/598756331.db2.gz SBOUSCIOKGDOIY-VIFPVBQESA-N -1 3 312.333 2.149 20 10 DECDHM COc1ccc(O)c([C@H](C)Nc2ncccc2-c2nn[n-]n2)c1 ZINC000737106402 598756332 /nfs/dbraw/zinc/75/63/32/598756332.db2.gz SBOUSCIOKGDOIY-VIFPVBQESA-N -1 3 312.333 2.149 20 10 DECDHM Cc1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1-c1nnn[n-]1 ZINC000826309125 609522376 /nfs/dbraw/zinc/52/23/76/609522376.db2.gz FCQUFFUFHBRPRN-UHFFFAOYSA-N -1 3 323.404 2.273 20 10 DECDHM Cc1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1-c1nn[n-]n1 ZINC000826309125 609522377 /nfs/dbraw/zinc/52/23/77/609522377.db2.gz FCQUFFUFHBRPRN-UHFFFAOYSA-N -1 3 323.404 2.273 20 10 DECDHM CN(C)c1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1F ZINC000187609255 625429157 /nfs/dbraw/zinc/42/91/57/625429157.db2.gz QPGYRNMTHLFAIJ-UHFFFAOYSA-N -1 3 313.336 2.093 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000184770901 634613076 /nfs/dbraw/zinc/61/30/76/634613076.db2.gz RONVJFPNVWVDGG-UHFFFAOYSA-N -1 3 316.332 2.199 20 10 DECDHM CO[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C12CCC2 ZINC000922853759 636446171 /nfs/dbraw/zinc/44/61/71/636446171.db2.gz FSURIZGVDABYBD-KBPBESRZSA-N -1 3 308.353 2.288 20 10 DECDHM Cc1cc([O-])c(CN2CC(n3cc([C@H](C)O)nn3)C2)c(Cl)c1 ZINC000840935853 650389005 /nfs/dbraw/zinc/38/90/05/650389005.db2.gz ASVYEYQRXMNJOO-JTQLQIEISA-N -1 3 322.796 2.056 20 10 DECDHM CN(Cc1c([O-])cccc1Br)C[C@@H]1COCCO1 ZINC000862413857 640081326 /nfs/dbraw/zinc/08/13/26/640081326.db2.gz DUAHAXUISJCRNI-SNVBAGLBSA-N -1 3 316.195 2.002 20 10 DECDHM Cn1cc(CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000769307858 641215229 /nfs/dbraw/zinc/21/52/29/641215229.db2.gz KXXBXYMSRNKFPE-UHFFFAOYSA-N -1 3 320.824 2.097 20 10 DECDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)o1 ZINC000773304540 641755491 /nfs/dbraw/zinc/75/54/91/641755491.db2.gz WOGRARMAVQLZLS-UHFFFAOYSA-N -1 3 308.403 2.441 20 10 DECDHM COCCN(CC(=O)OC(C)(C)C)Cc1cc(F)ccc1[O-] ZINC000779001591 642454908 /nfs/dbraw/zinc/45/49/08/642454908.db2.gz HKSDXMAISBXTCR-UHFFFAOYSA-N -1 3 313.369 2.321 20 10 DECDHM COC(=O)Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000787618691 643517509 /nfs/dbraw/zinc/51/75/09/643517509.db2.gz SWBWNSCWFOAHHG-UHFFFAOYSA-N -1 3 301.298 2.066 20 10 DECDHM O=C(NCC[C@@H]1COc2ccccc2O1)c1cccc(O)c1[O-] ZINC000790890946 643906993 /nfs/dbraw/zinc/90/69/93/643906993.db2.gz LZTIOZWBKZVIER-LLVKDONJSA-N -1 3 315.325 2.058 20 10 DECDHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1ncccc1[O-] ZINC000792091300 644073028 /nfs/dbraw/zinc/07/30/28/644073028.db2.gz GPLOAHPODWFVPK-UHFFFAOYSA-N -1 3 314.389 2.161 20 10 DECDHM C[C@@H](O)CN1CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H](C)C1 ZINC000793591811 644276594 /nfs/dbraw/zinc/27/65/94/644276594.db2.gz QMWDDHWHMCZHOV-WDEREUQCSA-N -1 3 316.804 2.072 20 10 DECDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)C1(S(C)(=O)=O)CC1 ZINC000796491817 644744701 /nfs/dbraw/zinc/74/47/01/644744701.db2.gz RDYHKSBBOAACMK-MRVPVSSYSA-N -1 3 321.801 2.240 20 10 DECDHM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000804483903 645779895 /nfs/dbraw/zinc/77/98/95/645779895.db2.gz JKDJWGGVMUWSRW-IAQYHMDHSA-N -1 3 301.342 2.258 20 10 DECDHM Cc1cc(N(C)C)ccc1C[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000840383985 647656027 /nfs/dbraw/zinc/65/60/27/647656027.db2.gz CPFDBGJZFNVPIB-GFCCVEGCSA-N -1 3 310.405 2.144 20 10 DECDHM O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1c([O-])cccc1F ZINC000921451011 648319596 /nfs/dbraw/zinc/31/95/96/648319596.db2.gz IWPJAMGBVHLWTG-VIFPVBQESA-N -1 3 323.336 2.386 20 10 DECDHM Cc1cc([O-])c(CN2CCOC[C@H]2c2ncon2)cc1Cl ZINC000825460955 648765358 /nfs/dbraw/zinc/76/53/58/648765358.db2.gz CMSVAUCJVSNFIH-LBPRGKRZSA-N -1 3 309.753 2.311 20 10 DECDHM COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@H](C)O1 ZINC000826139829 648854541 /nfs/dbraw/zinc/85/45/41/648854541.db2.gz PLTQGEWMAULGQL-HZMBPMFUSA-N -1 3 313.781 2.116 20 10 DECDHM [O-]c1ccc(Cl)c(F)c1CN1CCN([C@@H]2CCOC2)CC1 ZINC000827120755 648975276 /nfs/dbraw/zinc/97/52/76/648975276.db2.gz VSKUBEHQRDFTSN-LLVKDONJSA-N -1 3 314.788 2.091 20 10 DECDHM [O-]c1c(F)cc(Cl)cc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000827121208 648975373 /nfs/dbraw/zinc/97/53/73/648975373.db2.gz ZBNAOWMTMYCYBM-CYBMUJFWSA-N -1 3 314.788 2.091 20 10 DECDHM O=C1CC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CC[C@H]2N1 ZINC000827133383 648978840 /nfs/dbraw/zinc/97/88/40/648978840.db2.gz UIVNGYUBMPMNTC-NOZJJQNGSA-N -1 3 312.772 2.285 20 10 DECDHM Cc1nncn1-c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000185894183 649658735 /nfs/dbraw/zinc/65/87/35/649658735.db2.gz PXKXDZYMBMHMFS-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM Cc1cc(CC(=O)[N-]OC(C)(C)CO)c(C)n1-c1ccccc1 ZINC000854754440 651552606 /nfs/dbraw/zinc/55/26/06/651552606.db2.gz OOSJUSAPRVTJNO-UHFFFAOYSA-N -1 3 316.401 2.455 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cnc(OCC2CC2)cn1 ZINC000928708288 693831223 /nfs/dbraw/zinc/83/12/23/693831223.db2.gz JQGOCLLEFIFAJB-UHFFFAOYSA-N -1 3 317.320 2.040 20 10 DECDHM CCOC(=O)N1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928710631 693831862 /nfs/dbraw/zinc/83/18/62/693831862.db2.gz VJQYNJVDYIYZKE-UHFFFAOYSA-N -1 3 324.352 2.016 20 10 DECDHM O=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(O)c1[O-] ZINC000188474395 684356890 /nfs/dbraw/zinc/35/68/90/684356890.db2.gz CQEHKVPATWBTEZ-UHFFFAOYSA-N -1 3 309.325 2.214 20 10 DECDHM CCc1cccc(NC(=O)CNC(=O)c2cccc(O)c2[O-])c1 ZINC000192997978 684462685 /nfs/dbraw/zinc/46/26/85/684462685.db2.gz OHTQMNWQHFXXJY-UHFFFAOYSA-N -1 3 314.341 2.029 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCc3ncncc3C2)c1[O-] ZINC000880595645 690937092 /nfs/dbraw/zinc/93/70/92/690937092.db2.gz TUQXIKLBOWJIIK-UHFFFAOYSA-N -1 3 301.321 2.082 20 10 DECDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])C(=O)NCc1ccco1 ZINC000882992642 691405174 /nfs/dbraw/zinc/40/51/74/691405174.db2.gz ARVXDORAGDLWGU-SECBINFHSA-N -1 3 310.300 2.058 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](C2CCOCC2)C1 ZINC000886154239 692013380 /nfs/dbraw/zinc/01/33/80/692013380.db2.gz CTOCXJMWCBFYDH-CYBMUJFWSA-N -1 3 305.374 2.377 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]1(CO)c1ccccc1 ZINC001348199511 1151131138 /nfs/dbraw/zinc/13/11/38/1151131138.db2.gz LKWNSANRHCGZAL-SFHVURJKSA-N -1 3 313.353 2.222 20 10 DECDHM Cn1cnnc1C1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140584046 777376342 /nfs/dbraw/zinc/37/63/42/777376342.db2.gz DRCYRBAYOQZSGP-UHFFFAOYSA-N -1 3 308.332 2.179 20 10 DECDHM CCOC(=O)c1c(C)nsc1NC(=O)c1cccc(O)c1[O-] ZINC001148212964 791710608 /nfs/dbraw/zinc/71/06/08/791710608.db2.gz SBFHHSPIGIGNFO-UHFFFAOYSA-N -1 3 322.342 2.292 20 10 DECDHM CCOC(=O)c1coc2c1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001148218433 791712175 /nfs/dbraw/zinc/71/21/75/791712175.db2.gz CPCOWZSHGXQDHT-UHFFFAOYSA-N -1 3 317.297 2.024 20 10 DECDHM O=C(Nc1ccc(C2OCCO2)cc1)c1cccc(O)c1[O-] ZINC001148218513 791712344 /nfs/dbraw/zinc/71/23/44/791712344.db2.gz CLJSFDUBCYKQTD-UHFFFAOYSA-N -1 3 301.298 2.396 20 10 DECDHM CC(C)(F)c1ncncc1CNC(=O)c1cccc(O)c1[O-] ZINC001148224347 791715068 /nfs/dbraw/zinc/71/50/68/791715068.db2.gz IBPKBHBZYJCEKW-UHFFFAOYSA-N -1 3 305.309 2.022 20 10 DECDHM O=C(Nc1cccc(Cl)c1CO)c1cc(O)c([O-])c(O)c1 ZINC001148586043 791777640 /nfs/dbraw/zinc/77/76/40/791777640.db2.gz GAQKTHDBMGORMZ-UHFFFAOYSA-N -1 3 309.705 2.201 20 10 DECDHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc2N1 ZINC001115815290 794929279 /nfs/dbraw/zinc/92/92/79/794929279.db2.gz BAKNDWLCSNHBSC-UHFFFAOYSA-N -1 3 318.354 2.078 20 10 DECDHM CN(C)C1(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC1 ZINC001182603204 795718282 /nfs/dbraw/zinc/71/82/82/795718282.db2.gz VIYGOUVMFBEHOA-UHFFFAOYSA-N -1 3 319.792 2.304 20 10 DECDHM [O-]c1cccc(Br)c1CN1Cc2cncnc2C1 ZINC001140098562 796477530 /nfs/dbraw/zinc/47/75/30/796477530.db2.gz FGDAURWQQGLDMJ-UHFFFAOYSA-N -1 3 306.163 2.461 20 10 DECDHM Cc1cnc(O[C@H]2CCN(Cc3cc(F)c(F)cc3[O-])C2)nc1 ZINC001142531320 796747860 /nfs/dbraw/zinc/74/78/60/796747860.db2.gz UAMGXUNZUXOHKP-LBPRGKRZSA-N -1 3 321.327 2.422 20 10 DECDHM CNC(=S)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001200609328 798662191 /nfs/dbraw/zinc/66/21/91/798662191.db2.gz JWXKPFZKSCVQOX-UHFFFAOYSA-N -1 3 312.350 2.084 20 10 DECDHM CN1CC[C@H](Oc2cccc3c2C(=O)c2cccc([O-])c2C3=O)C1 ZINC001229187189 801238850 /nfs/dbraw/zinc/23/88/50/801238850.db2.gz WPIXJGJNKKFUFR-NSHDSACASA-N -1 3 323.348 2.251 20 10 DECDHM [O-]c1cccc(Br)c1CN1CCNCC(F)(F)C1 ZINC001211341395 801549491 /nfs/dbraw/zinc/54/94/91/801549491.db2.gz KCXFWKMRLYIYDU-UHFFFAOYSA-N -1 3 321.165 2.195 20 10 DECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c([O-])c1 ZINC001231455612 801669630 /nfs/dbraw/zinc/66/96/30/801669630.db2.gz RTDNFRJJPROMQI-AWEZNQCLSA-N -1 3 313.300 2.091 20 10 DECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c([O-])c1 ZINC001231455612 801669633 /nfs/dbraw/zinc/66/96/33/801669633.db2.gz RTDNFRJJPROMQI-AWEZNQCLSA-N -1 3 313.300 2.091 20 10 DECDHM COC(=O)[C@@]1(C)COCCN1Cc1ccc2ccccc2c1[O-] ZINC001231883711 801743816 /nfs/dbraw/zinc/74/38/16/801743816.db2.gz NIRBVLHDWUPKSI-GOSISDBHSA-N -1 3 315.369 2.309 20 10 DECDHM COCCCCN1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233080540 802022156 /nfs/dbraw/zinc/02/21/56/802022156.db2.gz WPTKIPYUBPJKFZ-UHFFFAOYSA-N -1 3 314.376 2.215 20 10 DECDHM CCOc1ccc(C[NH2+][C@H](C[C@@H]2CCCOC2)C(=O)[O-])c([O-])c1 ZINC001597101484 986717957 /nfs/dbraw/zinc/71/79/57/986717957.db2.gz VWDANPHHRDQRMR-SWLSCSKDSA-N -1 3 323.389 2.150 20 10 DECDHM COc1ccc(O)c(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC001599598723 993784905 /nfs/dbraw/zinc/78/49/05/993784905.db2.gz RGQWXAPZUGVNMK-OAHLLOKOSA-N -1 3 305.305 2.455 20 10 DECDHM CO[C@@]1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCSC1 ZINC001599090578 997184406 /nfs/dbraw/zinc/18/44/06/997184406.db2.gz ADPMBGFXDZDDSP-MEBBXXQBSA-N -1 3 311.403 2.263 20 10 DECDHM COC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])C1CCOCC1 ZINC001599173896 998641269 /nfs/dbraw/zinc/64/12/69/998641269.db2.gz SWZVCKVNDCRHCI-NHYWBVRUSA-N -1 3 323.389 2.183 20 10 DECDHM CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603278652 1069929848 /nfs/dbraw/zinc/92/98/48/1069929848.db2.gz RZEGMLNYZKUPGD-NWDGAFQWSA-N -1 3 319.409 2.020 20 10 DECDHM CC(C)CCOCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603283592 1069933417 /nfs/dbraw/zinc/93/34/17/1069933417.db2.gz XCIMAUVSMMIWRV-LBPRGKRZSA-N -1 3 319.409 2.286 20 10 DECDHM C[C@@H]([NH2+]CCC1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661917 1070031783 /nfs/dbraw/zinc/03/17/83/1070031783.db2.gz DMZIOZFPOXNVGN-LLVKDONJSA-N -1 3 317.393 2.040 20 10 DECDHM Cc1ccc(O)c([C@@H](C)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001605876015 1070961401 /nfs/dbraw/zinc/96/14/01/1070961401.db2.gz ZGBNUMAGZMVZRG-SECBINFHSA-N -1 3 316.390 2.188 20 10 DECDHM O=[N+]([O-])c1ccc(N2Cc3cccc(O)c3C2)c(-c2nnn[n-]2)c1 ZINC001607082052 1071290798 /nfs/dbraw/zinc/29/07/98/1071290798.db2.gz KXXUNYQHQJPOHE-UHFFFAOYSA-N -1 3 324.300 2.001 20 10 DECDHM O=[N+]([O-])c1ccc(N2Cc3cccc(O)c3C2)c(-c2nn[n-]n2)c1 ZINC001607082052 1071290809 /nfs/dbraw/zinc/29/08/09/1071290809.db2.gz KXXUNYQHQJPOHE-UHFFFAOYSA-N -1 3 324.300 2.001 20 10 DECDHM COc1cccc([O-])c1C[NH2+]CCc1ccccc1C(=O)[O-] ZINC001607326952 1071410544 /nfs/dbraw/zinc/41/05/44/1071410544.db2.gz YFHKQJYALLQJMC-UHFFFAOYSA-N -1 3 301.342 2.431 20 10 DECDHM NC(=O)[C@@H](F)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001474691947 1060916133 /nfs/dbraw/zinc/91/61/33/1060916133.db2.gz XBQYHATXWUEVGE-LBPRGKRZSA-N -1 3 318.751 2.220 20 10 DECDHM [O-]c1cc(F)c(F)cc1CNCc1nc2c(s1)COCC2 ZINC001474718709 1060922979 /nfs/dbraw/zinc/92/29/79/1060922979.db2.gz PDKREKWUIVMOPO-UHFFFAOYSA-N -1 3 312.341 2.489 20 10 DECDHM O=C(NCc1cccc(CO)c1)NCc1c([O-])cccc1F ZINC001631364578 1078362755 /nfs/dbraw/zinc/36/27/55/1078362755.db2.gz FHMRPDFZWVPPQX-UHFFFAOYSA-N -1 3 304.321 2.023 20 10 DECDHM O=C(C[C@@H]1C(=O)Nc2ccccc21)NCc1c([O-])cccc1F ZINC001646035469 1079084538 /nfs/dbraw/zinc/08/45/38/1079084538.db2.gz WNTSYIPRHFPAFE-NSHDSACASA-N -1 3 314.316 2.274 20 10 DECDHM O=C(NCc1cc2ccccc2[nH]c1=O)c1cccc(O)c1[O-] ZINC001558856197 1075106629 /nfs/dbraw/zinc/10/66/29/1075106629.db2.gz XSDWXDMPJDHFSO-UHFFFAOYSA-N -1 3 310.309 2.282 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1C[C@H](CO)Cc2cccc(F)c21 ZINC001583267733 1076252182 /nfs/dbraw/zinc/25/21/82/1076252182.db2.gz HZXHOYBMUIVBJB-SNVBAGLBSA-N -1 3 317.316 2.048 20 10 DECDHM C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962918 1076536640 /nfs/dbraw/zinc/53/66/40/1076536640.db2.gz VFIAUTCVZMGHEW-IUCAKERBSA-N -1 3 309.320 2.268 20 10 DECDHM CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C1CC1 ZINC001591326445 1076723609 /nfs/dbraw/zinc/72/36/09/1076723609.db2.gz LDRNMYAHHDIMKV-YHAQOWFVSA-N -1 3 317.393 2.036 20 10 DECDHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1O ZINC001591728513 1076777901 /nfs/dbraw/zinc/77/79/01/1076777901.db2.gz YMAYNJDIEMUQLN-SNVBAGLBSA-N -1 3 324.344 2.455 20 10 DECDHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1O ZINC001591728513 1076777906 /nfs/dbraw/zinc/77/79/06/1076777906.db2.gz YMAYNJDIEMUQLN-SNVBAGLBSA-N -1 3 324.344 2.455 20 10 DECDHM C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1c([O-])cccc1F ZINC001596911940 1077085000 /nfs/dbraw/zinc/08/50/00/1077085000.db2.gz JEZBZOVYMWOKEU-LLVKDONJSA-N -1 3 319.332 2.107 20 10 DECDHM O=C([O-])c1cc(C2CC[NH+](Cc3ccccc3[O-])CC2)no1 ZINC001602252751 1077534496 /nfs/dbraw/zinc/53/44/96/1077534496.db2.gz MDLGIURYGXKYKX-UHFFFAOYSA-N -1 3 302.330 2.458 20 10 DECDHM C[C@H](NCc1cc(F)cc(F)c1[O-])C(=O)NCc1ccccc1 ZINC001656962861 1080143176 /nfs/dbraw/zinc/14/31/76/1080143176.db2.gz LAEBCKIJLZKLEX-NSHDSACASA-N -1 3 320.339 2.465 20 10 DECDHM CN1c2ccccc2C[C@@H](NCc2ccc(F)c(F)c2[O-])C1=O ZINC001660268087 1080298879 /nfs/dbraw/zinc/29/88/79/1080298879.db2.gz NWPYKIPBPMEHEY-CYBMUJFWSA-N -1 3 318.323 2.348 20 10 DECDHM [O-]c1c(CNCc2nc(-c3ccccn3)n[nH]2)ccc(F)c1F ZINC001664724193 1080949644 /nfs/dbraw/zinc/94/96/44/1080949644.db2.gz WZHWYUOSRGHKOQ-UHFFFAOYSA-N -1 3 317.299 2.140 20 10 DECDHM C[C@H](NCc1c([O-])cccc1Br)c1nncn1C ZINC000706829143 1086651781 /nfs/dbraw/zinc/65/17/81/1086651781.db2.gz MCOPTZWRYPUBRO-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM COCC1CN(Cc2c([O-])cc(OC)cc2Br)C1 ZINC001237061358 1138493292 /nfs/dbraw/zinc/49/32/92/1138493292.db2.gz FHZRBNOTCVGTAD-UHFFFAOYSA-N -1 3 316.195 2.242 20 10 DECDHM COc1cc([O-])c(CN2CC(C)(OC)C2)c(Br)c1 ZINC001237063482 1138493279 /nfs/dbraw/zinc/49/32/79/1138493279.db2.gz RCWDKUODMJHGFA-UHFFFAOYSA-N -1 3 316.195 2.384 20 10 DECDHM [O-]c1cc(Cl)c(F)cc1CN1CCN([C@@H]2CCOC2)CC1 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20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccccc2F)C1 ZINC000187068799 402481173 /nfs/dbraw/zinc/48/11/73/402481173.db2.gz KZBFMUVLUHRSCV-HNNXBMFYSA-N -1 3 317.316 2.451 20 10 DECDHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000187211204 402488112 /nfs/dbraw/zinc/48/81/12/402488112.db2.gz VBZMFNFOBISZJH-LBPRGKRZSA-N -1 3 301.346 2.415 20 10 DECDHM COc1cc(Cl)cc(CN2CC[C@@H](C)[S@](=O)CC2)c1[O-] ZINC000277348394 286223229 /nfs/dbraw/zinc/22/32/29/286223229.db2.gz DHRWIFMVHULCFU-CFMSYZGJSA-N -1 3 317.838 2.397 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c([O-])c1O ZINC000179456071 402590707 /nfs/dbraw/zinc/59/07/07/402590707.db2.gz QDODDWCZCFADPN-NSHDSACASA-N -1 3 301.346 2.149 20 10 DECDHM Cc1ccc(C(=O)N2CCCC[C@H]2c2ncon2)c([O-])c1O ZINC000182480314 402693587 /nfs/dbraw/zinc/69/35/87/402693587.db2.gz PVNLRHQDBPDSPH-NSHDSACASA-N -1 3 303.318 2.157 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c([O-])c1O ZINC000183548820 402775538 /nfs/dbraw/zinc/77/55/38/402775538.db2.gz HBRIIBUYABFZKH-UHFFFAOYSA-N -1 3 324.340 2.454 20 10 DECDHM CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1O ZINC000271392380 402865716 /nfs/dbraw/zinc/86/57/16/402865716.db2.gz UIIDWOFIJAFQJE-PELKAZGASA-N -1 3 300.742 2.157 20 10 DECDHM CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1O ZINC000271392388 402865771 /nfs/dbraw/zinc/86/57/71/402865771.db2.gz UIIDWOFIJAFQJE-QPUJVOFHSA-N -1 3 300.742 2.157 20 10 DECDHM COc1c([O-])c(CN[C@H]2CCCc3c[nH]nc32)ccc1[N+](=O)[O-] ZINC000278545698 402868134 /nfs/dbraw/zinc/86/81/34/402868134.db2.gz YESKJRAEKDCTKF-NSHDSACASA-N -1 3 318.333 2.199 20 10 DECDHM COC(=O)[C@H](C)N(C)Cc1cc(Br)ccc1[O-] ZINC000280203014 402974890 /nfs/dbraw/zinc/97/48/90/402974890.db2.gz BOBRYSBUEMUEPX-QMMMGPOBSA-N -1 3 302.168 2.148 20 10 DECDHM COc1cc(Cl)cc(CN2CC[S@@](=O)C[C@@H](C)C2)c1[O-] ZINC000277627127 403238437 /nfs/dbraw/zinc/23/84/37/403238437.db2.gz XMGUGGIMJOCXNO-WVDJIFEKSA-N -1 3 317.838 2.255 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCC[C@](F)(CO)C1 ZINC000289849286 404003700 /nfs/dbraw/zinc/00/37/00/404003700.db2.gz PWSFVDWZFKNLGR-CYBMUJFWSA-N -1 3 318.186 2.451 20 10 DECDHM Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000366151028 404763636 /nfs/dbraw/zinc/76/36/36/404763636.db2.gz HOLTZQALPYELBA-CYBMUJFWSA-N -1 3 301.346 2.117 20 10 DECDHM Cc1nnc2n1CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000371376003 227069898 /nfs/dbraw/zinc/06/98/98/227069898.db2.gz WUHJMYBRDMCHGR-UHFFFAOYSA-N -1 3 323.194 2.070 20 10 DECDHM Cc1noc([C@H]2CCCCN2C(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000286322796 424891909 /nfs/dbraw/zinc/89/19/09/424891909.db2.gz HKQGDYPYTYLAEC-GFCCVEGCSA-N -1 3 317.345 2.465 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000186880963 280209298 /nfs/dbraw/zinc/20/92/98/280209298.db2.gz BZTSLNQXOBOPHY-HNNXBMFYSA-N -1 3 317.316 2.451 20 10 DECDHM CCc1ccc([C@H]2COCCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000187110298 524056419 /nfs/dbraw/zinc/05/64/19/524056419.db2.gz OUTLDMZPRIZZHW-CYBMUJFWSA-N -1 3 317.341 2.467 20 10 DECDHM COCCCOC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272799946 536595975 /nfs/dbraw/zinc/59/59/75/536595975.db2.gz YJMFCPZLACTVKX-UHFFFAOYSA-N -1 3 323.389 2.064 20 10 DECDHM C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117114 598623953 /nfs/dbraw/zinc/62/39/53/598623953.db2.gz DECBMZYJKSIGSD-MRVPVSSYSA-N -1 3 315.358 2.125 20 10 DECDHM CN(CC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1CCSC1 ZINC000890760689 623198864 /nfs/dbraw/zinc/19/88/64/623198864.db2.gz WGXHJKQAGLSOLE-LLVKDONJSA-N -1 3 314.838 2.099 20 10 DECDHM Cc1cc([O-])c(CN2CCN3C(=O)OCC[C@@H]3C2)c(Cl)c1 ZINC000840920487 650382155 /nfs/dbraw/zinc/38/21/55/650382155.db2.gz KLEXQHJGCOIJSU-LLVKDONJSA-N -1 3 310.781 2.381 20 10 DECDHM CCc1c(C)nc2ncnn2c1NCc1c([O-])cccc1F ZINC000895832916 638224261 /nfs/dbraw/zinc/22/42/61/638224261.db2.gz QFWPISBGTLRGFE-UHFFFAOYSA-N -1 3 301.325 2.452 20 10 DECDHM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1O ZINC000897675786 640898421 /nfs/dbraw/zinc/89/84/21/640898421.db2.gz CAGVVBWZNXSKGU-RDDDGLTNSA-N -1 3 304.159 2.106 20 10 DECDHM COC(=O)[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000768459613 641084689 /nfs/dbraw/zinc/08/46/89/641084689.db2.gz DWEOZWNYQVXGFC-SNVBAGLBSA-N -1 3 314.179 2.150 20 10 DECDHM COc1cccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c1O ZINC000769507545 641252761 /nfs/dbraw/zinc/25/27/61/641252761.db2.gz KPLLSCLRMJVXRU-UHFFFAOYSA-N -1 3 324.336 2.172 20 10 DECDHM COC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000770467286 641374338 /nfs/dbraw/zinc/37/43/38/641374338.db2.gz XTRUHBDXXLOANG-UHFFFAOYSA-N -1 3 301.298 2.445 20 10 DECDHM COc1cc(CN(C)C(=O)c2cccc(O)c2[O-])ccc1O ZINC000776326746 642158391 /nfs/dbraw/zinc/15/83/91/642158391.db2.gz AOPRZGMZXYVQEF-UHFFFAOYSA-N -1 3 303.314 2.084 20 10 DECDHM CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000776356404 642161662 /nfs/dbraw/zinc/16/16/62/642161662.db2.gz CBQLRWXLZYILNU-LBPRGKRZSA-N -1 3 321.373 2.293 20 10 DECDHM O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cccc(O)c1[O-] ZINC000776651963 642194728 /nfs/dbraw/zinc/19/47/28/642194728.db2.gz MFQCSEXOAKWYBX-UHFFFAOYSA-N -1 3 313.313 2.094 20 10 DECDHM Cc1ccnc(NC(=O)CN(C)Cc2cc(F)ccc2[O-])c1 ZINC000779003211 642454617 /nfs/dbraw/zinc/45/46/17/642454617.db2.gz QYACJZWVBDTGGE-UHFFFAOYSA-N -1 3 303.337 2.305 20 10 DECDHM O=C(Nc1nc(-c2cccnc2)ns1)c1cccc(O)c1[O-] ZINC000790906159 643907890 /nfs/dbraw/zinc/90/78/90/643907890.db2.gz UFKSEPKKJIBCJE-UHFFFAOYSA-N -1 3 314.326 2.264 20 10 DECDHM CC1(C)CN(Cc2cccc(Br)c2[O-])C[C@H]1O ZINC000790937153 643911016 /nfs/dbraw/zinc/91/10/16/643911016.db2.gz KOBXHAZKUPAXEN-LLVKDONJSA-N -1 3 300.196 2.357 20 10 DECDHM CCOc1ccc(C[N@H+](CCC(=O)[O-])C2CCOCC2)c([O-])c1 ZINC000843041805 650874489 /nfs/dbraw/zinc/87/44/89/650874489.db2.gz WERAHGYZSWURSH-UHFFFAOYSA-N -1 3 323.389 2.247 20 10 DECDHM CCOc1ccc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c([O-])c1 ZINC000843041805 650874491 /nfs/dbraw/zinc/87/44/91/650874491.db2.gz WERAHGYZSWURSH-UHFFFAOYSA-N -1 3 323.389 2.247 20 10 DECDHM O=C1NCC2(CCN(Cc3c([O-])ccc(Cl)c3F)CC2)O1 ZINC000792179703 644085329 /nfs/dbraw/zinc/08/53/29/644085329.db2.gz KXQBDTKVDXGCGE-UHFFFAOYSA-N -1 3 314.744 2.259 20 10 DECDHM COc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c(O)c1 ZINC000794377269 644405717 /nfs/dbraw/zinc/40/57/17/644405717.db2.gz QTVMXMSHQCVTQK-UHFFFAOYSA-N -1 3 324.336 2.172 20 10 DECDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CC(C)(C)OC2=O)c1[O-] ZINC000795653253 644613774 /nfs/dbraw/zinc/61/37/74/644613774.db2.gz QAYBIBUYRLBLIR-CYBMUJFWSA-N -1 3 309.337 2.260 20 10 DECDHM Cc1cc(C)c(CNC(=O)NCc2c([O-])cccc2F)c(=O)[nH]1 ZINC000913949810 647109541 /nfs/dbraw/zinc/10/95/41/647109541.db2.gz ZRYCMKTWXTWFAL-UHFFFAOYSA-N -1 3 319.336 2.248 20 10 DECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816588980 647156438 /nfs/dbraw/zinc/15/64/38/647156438.db2.gz HRLGFOYBSCXSPM-PWZJLYFZSA-N -1 3 312.772 2.271 20 10 DECDHM Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1c([O-])cccc1F ZINC000914187241 647210118 /nfs/dbraw/zinc/21/01/18/647210118.db2.gz BRMODIUCXSPSPQ-ZDUSSCGKSA-N -1 3 318.352 2.142 20 10 DECDHM C[C@@H](NCC(F)(F)CN)c1ccc(Br)cc1[O-] ZINC000817966806 647395997 /nfs/dbraw/zinc/39/59/97/647395997.db2.gz VWMFGFYCFDNCIN-SSDOTTSWSA-N -1 3 309.154 2.399 20 10 DECDHM COc1cc[n-]c(=NNC(=S)Nc2ccc(C)c(C)c2)n1 ZINC000914705044 647413979 /nfs/dbraw/zinc/41/39/79/647413979.db2.gz XGMJPRZHASFTBV-UHFFFAOYSA-N -1 3 303.391 2.416 20 10 DECDHM CC(C)(C)OC(=O)CCNC(=O)NCc1c([O-])cccc1F ZINC000920167367 648210869 /nfs/dbraw/zinc/21/08/69/648210869.db2.gz WUJLFJOVNGCLHD-UHFFFAOYSA-N -1 3 312.341 2.062 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000921468403 648314734 /nfs/dbraw/zinc/31/47/34/648314734.db2.gz NVHUEZJKTFRHEI-ZBINZKHDSA-N -1 3 308.353 2.288 20 10 DECDHM CCOC(=O)[C@H](C)NCc1cc(Br)ccc1[O-] ZINC000233693776 648349527 /nfs/dbraw/zinc/34/95/27/648349527.db2.gz ZCZZGKIQYOTRRC-QMMMGPOBSA-N -1 3 302.168 2.196 20 10 DECDHM C[C@@H]1c2nncn2CCN1Cc1ccc(Br)cc1[O-] ZINC000825685770 648799614 /nfs/dbraw/zinc/79/96/14/648799614.db2.gz LYTVRBKJLKMUPL-SECBINFHSA-N -1 3 323.194 2.323 20 10 DECDHM Cc1ccc(C(=O)Nc2nnc(C(F)F)s2)c([O-])c1O ZINC000182229163 648858762 /nfs/dbraw/zinc/85/87/62/648858762.db2.gz VNVNXJDYFYPUON-UHFFFAOYSA-N -1 3 301.274 2.448 20 10 DECDHM Cc1ccc(C=CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826286080 648862801 /nfs/dbraw/zinc/86/28/01/648862801.db2.gz RMWCHZQNOMSGEZ-HJWRWDBZSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ccc(C=CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826286080 648862805 /nfs/dbraw/zinc/86/28/05/648862805.db2.gz RMWCHZQNOMSGEZ-HJWRWDBZSA-N -1 3 320.356 2.246 20 10 DECDHM O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(O)c1[O-] ZINC000830468452 649449280 /nfs/dbraw/zinc/44/92/80/649449280.db2.gz NDKHSAXXDFQEJD-KWQFWETISA-N -1 3 319.279 2.328 20 10 DECDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])Oc1cccc(F)c1 ZINC000185745628 649604567 /nfs/dbraw/zinc/60/45/67/649604567.db2.gz XPWDWVDECRYZMX-SNVBAGLBSA-N -1 3 305.305 2.434 20 10 DECDHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)C(=O)OC(C)(C)C ZINC000855191067 651643767 /nfs/dbraw/zinc/64/37/67/651643767.db2.gz UGIHGEOWEDDTGQ-JTQLQIEISA-N -1 3 309.362 2.290 20 10 DECDHM [O-]c1c(Br)cccc1CN1CCC(CO)CC1 ZINC000305736648 685297276 /nfs/dbraw/zinc/29/72/76/685297276.db2.gz TYJGNINPDNPCBN-UHFFFAOYSA-N -1 3 300.196 2.359 20 10 DECDHM COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])C(C)(C)C ZINC000118964679 684075562 /nfs/dbraw/zinc/07/55/62/684075562.db2.gz XTMGSIPVZBQXHO-CQSZACIVSA-N -1 3 311.353 2.411 20 10 DECDHM Cn1nc2c(c1C(=O)NCc1c([O-])cccc1F)CCCC2 ZINC000928704546 693830419 /nfs/dbraw/zinc/83/04/19/693830419.db2.gz BQWNRXYXVZOSNM-UHFFFAOYSA-N -1 3 303.337 2.074 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1c[nH]nc1[C@H]1CCCO1 ZINC000928709986 693831148 /nfs/dbraw/zinc/83/11/48/693831148.db2.gz ONAIARLMNICVMA-CYBMUJFWSA-N -1 3 305.309 2.036 20 10 DECDHM CN(C)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1F ZINC000192992700 684462081 /nfs/dbraw/zinc/46/20/81/684462081.db2.gz MPSBLFGOKCSAGJ-UHFFFAOYSA-N -1 3 304.321 2.233 20 10 DECDHM [O-]c1cccc(Br)c1CN1CC(F)(F)C[C@H]1CO ZINC000862335720 686278015 /nfs/dbraw/zinc/27/80/15/686278015.db2.gz OENAAAQJINBSLC-QMMMGPOBSA-N -1 3 322.149 2.357 20 10 DECDHM CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000871476078 688797231 /nfs/dbraw/zinc/79/72/31/688797231.db2.gz ASMLUVTXILQEKK-GFCCVEGCSA-N -1 3 307.346 2.116 20 10 DECDHM CC(=O)c1cc(F)cc(CN[C@@]2(C)CC(C)(C)OC2=O)c1[O-] ZINC000930876038 694260701 /nfs/dbraw/zinc/26/07/01/694260701.db2.gz MIEWFILUNGNLKC-INIZCTEOSA-N -1 3 309.337 2.308 20 10 DECDHM Cc1csc([C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000874497887 689426872 /nfs/dbraw/zinc/42/68/72/689426872.db2.gz RCNYDYFFKGQVMQ-JTQLQIEISA-N -1 3 304.371 2.492 20 10 DECDHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2cc(F)ccc2O)C1 ZINC000877776124 690223764 /nfs/dbraw/zinc/22/37/64/690223764.db2.gz YPXYIQUAZPRUMG-ZDUSSCGKSA-N -1 3 320.286 2.174 20 10 DECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccnnc1 ZINC001147206010 791475389 /nfs/dbraw/zinc/47/53/89/791475389.db2.gz FTYTWWXQZVMXPE-UHFFFAOYSA-N -1 3 314.732 2.314 20 10 DECDHM Nc1ccnc(-c2cc(NC(=O)c3cccc(O)c3[O-])ccn2)c1 ZINC001148212286 791711304 /nfs/dbraw/zinc/71/13/04/791711304.db2.gz VZFGPVRBHFNDBD-UHFFFAOYSA-N -1 3 322.324 2.389 20 10 DECDHM COCCCN(C(=O)c1cccc(O)c1[O-])c1ccccc1N ZINC001148218698 791711877 /nfs/dbraw/zinc/71/18/77/791711877.db2.gz HPGUGLWYEGEBPF-UHFFFAOYSA-N -1 3 316.357 2.363 20 10 DECDHM CCOC(=O)C1=C(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC001148219935 791713248 /nfs/dbraw/zinc/71/32/48/791713248.db2.gz GYVZOFHZDSMWHF-UHFFFAOYSA-N -1 3 305.330 2.219 20 10 DECDHM COc1cccc(C(C)(C)CNC(=O)c2cccc(O)c2[O-])n1 ZINC001148224407 791715053 /nfs/dbraw/zinc/71/50/53/791715053.db2.gz KLYCJUQQWRQYOH-UHFFFAOYSA-N -1 3 316.357 2.209 20 10 DECDHM COc1cc(Cl)ncc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581836 791777512 /nfs/dbraw/zinc/77/75/12/791777512.db2.gz CAMGTIWMAHYZEY-UHFFFAOYSA-N -1 3 310.693 2.113 20 10 DECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCc2cc(F)c(F)cc2C1 ZINC001148588079 791778806 /nfs/dbraw/zinc/77/88/06/791778806.db2.gz NQWDUCCLJDGHIL-UHFFFAOYSA-N -1 3 321.279 2.280 20 10 DECDHM O=C1CCCN1C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142526956 796747242 /nfs/dbraw/zinc/74/72/42/796747242.db2.gz CTMLJUQETBMBCY-UHFFFAOYSA-N -1 3 310.344 2.257 20 10 DECDHM Cc1nccnc1O[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531439 796748218 /nfs/dbraw/zinc/74/82/18/796748218.db2.gz XMFMZGHIELHALP-LBPRGKRZSA-N -1 3 321.327 2.422 20 10 DECDHM O=C(Nc1ccc2n[nH]nc2c1)c1ccc(O)c([O-])c1Cl ZINC001193230636 797534953 /nfs/dbraw/zinc/53/49/53/797534953.db2.gz YUTTZGYNSONYIS-UHFFFAOYSA-N -1 3 304.693 2.275 20 10 DECDHM COc1cc2c(cc1C(=O)NCc1c([O-])cccc1F)OCO2 ZINC001156170180 797938257 /nfs/dbraw/zinc/93/82/57/797938257.db2.gz IGGSABCJOGGKKI-UHFFFAOYSA-N -1 3 319.288 2.199 20 10 DECDHM CN(c1cccc(F)c1[O-])S(=O)(=O)Cc1ccc(N)cc1 ZINC001210196705 801350010 /nfs/dbraw/zinc/35/00/10/801350010.db2.gz CIRMOTNDELFAIY-UHFFFAOYSA-N -1 3 310.350 2.080 20 10 DECDHM Cc1nccnc1O[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336534 802079868 /nfs/dbraw/zinc/07/98/68/802079868.db2.gz OZSFKQUDVKEVCV-LLVKDONJSA-N -1 3 321.327 2.422 20 10 DECDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000315256033 802459363 /nfs/dbraw/zinc/45/93/63/802459363.db2.gz LGAZKNJLMYAMDB-UHFFFAOYSA-N -1 3 321.354 2.273 20 10 DECDHM C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246563 994454172 /nfs/dbraw/zinc/45/41/72/994454172.db2.gz ACWOFLLISBIKDV-UZJPJQLHSA-N -1 3 311.403 2.042 20 10 DECDHM CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604023736 1070178817 /nfs/dbraw/zinc/17/88/17/1070178817.db2.gz ZXKLKHYXQDHEQJ-YGRLFVJLSA-N -1 3 319.409 2.020 20 10 DECDHM CC[C@H]([NH2+]CC1(OC)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055351 1070189810 /nfs/dbraw/zinc/18/98/10/1070189810.db2.gz MNSRYLABRGMEEI-ZDUSSCGKSA-N -1 3 317.393 2.182 20 10 DECDHM C[C@@H]([NH2+]CCCOC1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604343016 1070340547 /nfs/dbraw/zinc/34/05/47/1070340547.db2.gz OXBFLDXBIDZKAZ-GFCCVEGCSA-N -1 3 323.389 2.327 20 10 DECDHM Oc1ccc2c(c1CNc1cc(-c3nnn[n-]3)ccn1)CCCC2 ZINC001607110622 1071304897 /nfs/dbraw/zinc/30/48/97/1071304897.db2.gz GXLMHRWXTPILAZ-UHFFFAOYSA-N -1 3 322.372 2.458 20 10 DECDHM Oc1ccc2c(c1CNc1cc(-c3nn[n-]n3)ccn1)CCCC2 ZINC001607110622 1071304903 /nfs/dbraw/zinc/30/49/03/1071304903.db2.gz GXLMHRWXTPILAZ-UHFFFAOYSA-N -1 3 322.372 2.458 20 10 DECDHM COC(=O)c1cccc2c1CCN2C(=O)c1cccc(O)c1[O-] ZINC001456292450 1057840774 /nfs/dbraw/zinc/84/07/74/1057840774.db2.gz SLXHRWGAWHVCIV-UHFFFAOYSA-N -1 3 313.309 2.087 20 10 DECDHM O=C1NCCN(Cc2cc(F)c(F)cc2[O-])c2ccccc21 ZINC001462308037 1058799573 /nfs/dbraw/zinc/79/95/73/1058799573.db2.gz TVXCHJAQBFEQDB-UHFFFAOYSA-N -1 3 304.296 2.420 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC(c2cnc3ccccc3n2)C1 ZINC001637134008 1078504956 /nfs/dbraw/zinc/50/49/56/1078504956.db2.gz TWYMXCVBPFRZNC-UHFFFAOYSA-N -1 3 321.336 2.281 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@]1([C@H]2CCCCO2)CCCO1 ZINC001520694884 1069168549 /nfs/dbraw/zinc/16/85/49/1069168549.db2.gz KORMBTIRWNXEAI-WBVHZDCISA-N -1 3 323.364 2.266 20 10 DECDHM Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1-c1nnn[n-]1 ZINC001581153229 1076045299 /nfs/dbraw/zinc/04/52/99/1076045299.db2.gz MJWNCHNOVGJGPO-UHFFFAOYSA-N -1 3 321.340 2.037 20 10 DECDHM Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1-c1nn[n-]n1 ZINC001581153229 1076045304 /nfs/dbraw/zinc/04/53/04/1076045304.db2.gz MJWNCHNOVGJGPO-UHFFFAOYSA-N -1 3 321.340 2.037 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001588772065 1076463965 /nfs/dbraw/zinc/46/39/65/1076463965.db2.gz JEKBFJBIKQKGJB-ZRDIBKRKSA-N -1 3 320.356 2.328 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001588772065 1076463966 /nfs/dbraw/zinc/46/39/66/1076463966.db2.gz JEKBFJBIKQKGJB-ZRDIBKRKSA-N -1 3 320.356 2.328 20 10 DECDHM C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589950315 1076531775 /nfs/dbraw/zinc/53/17/75/1076531775.db2.gz RBPWLYNMWKCTGI-WDEREUQCSA-N -1 3 317.393 2.038 20 10 DECDHM C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C1CCOCC1 ZINC001589950311 1076531946 /nfs/dbraw/zinc/53/19/46/1076531946.db2.gz RBPWLYNMWKCTGI-MNOVXSKESA-N -1 3 317.393 2.038 20 10 DECDHM C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589950309 1076532097 /nfs/dbraw/zinc/53/20/97/1076532097.db2.gz RBPWLYNMWKCTGI-GHMZBOCLSA-N -1 3 317.393 2.038 20 10 DECDHM C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952825 1076534457 /nfs/dbraw/zinc/53/44/57/1076534457.db2.gz DGQYSVMIAYCJGJ-MNOVXSKESA-N -1 3 317.393 2.181 20 10 DECDHM CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464003 1076632091 /nfs/dbraw/zinc/63/20/91/1076632091.db2.gz NYPGMUQASWYINE-XJKSGUPXSA-N -1 3 319.409 2.020 20 10 DECDHM CC[C@@H]([NH2+]CCOC1CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466006 1076633379 /nfs/dbraw/zinc/63/33/79/1076633379.db2.gz JCHQFJHMQQYIDN-CQSZACIVSA-N -1 3 317.393 2.182 20 10 DECDHM CO[C@@](C)(C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C1CC1 ZINC001591317588 1076720467 /nfs/dbraw/zinc/72/04/67/1076720467.db2.gz GNVVPXVCXUVMAA-HWPZZCPQSA-N -1 3 317.393 2.038 20 10 DECDHM COC1(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCCC1 ZINC001591342118 1076729364 /nfs/dbraw/zinc/72/93/64/1076729364.db2.gz IIAMCUCODPMYLI-NSHDSACASA-N -1 3 317.393 2.182 20 10 DECDHM [O-]c1c(F)cccc1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001593539205 1077019142 /nfs/dbraw/zinc/01/91/42/1077019142.db2.gz SOOJLRVFHPRUMB-UHFFFAOYSA-N -1 3 317.299 2.140 20 10 DECDHM O=C(Cc1ccc2c(c1)CCO2)NCc1c([O-])cccc1F ZINC001596912003 1077084682 /nfs/dbraw/zinc/08/46/82/1077084682.db2.gz KGHRHNVFLFTRDU-UHFFFAOYSA-N -1 3 301.317 2.325 20 10 DECDHM C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780798 1077922111 /nfs/dbraw/zinc/92/21/11/1077922111.db2.gz WBMKXNDRZCLGNQ-BZNIZROVSA-N -1 3 301.342 2.475 20 10 DECDHM C[C@H](NCc1cccnc1N(C)C)c1cc(C(=O)[O-])ccc1O ZINC001609780363 1077922351 /nfs/dbraw/zinc/92/23/51/1077922351.db2.gz IWJDREHLHQKWTF-NSHDSACASA-N -1 3 315.373 2.402 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC001652196619 1079857406 /nfs/dbraw/zinc/85/74/06/1079857406.db2.gz KVUAWTCMBCPLHR-HNNXBMFYSA-N -1 3 323.343 2.339 20 10 DECDHM COC(=O)C[C@@H]1CSCCN1Cc1cc(F)c(F)cc1[O-] ZINC001658851297 1080219436 /nfs/dbraw/zinc/21/94/36/1080219436.db2.gz VDWBPXHDQHHHBK-SNVBAGLBSA-N -1 3 317.357 2.151 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1cccc2c1CNC2=O ZINC001669736282 1081465278 /nfs/dbraw/zinc/46/52/78/1081465278.db2.gz PRNUIJHLNDLONO-UHFFFAOYSA-N -1 3 315.304 2.096 20 10 DECDHM C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1O ZINC001648891791 1082118162 /nfs/dbraw/zinc/11/81/62/1082118162.db2.gz HNWQWRYOKKRBAX-QMMMGPOBSA-N -1 3 300.293 2.294 20 10 DECDHM CS(=O)(=O)C1CN(Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234996616 1084265063 /nfs/dbraw/zinc/26/50/63/1084265063.db2.gz JOISZWPINJNJKF-UHFFFAOYSA-N -1 3 317.410 2.288 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001275774234 1092102342 /nfs/dbraw/zinc/10/23/42/1092102342.db2.gz POPUEFDJPSKIAN-UHFFFAOYSA-N -1 3 319.355 2.316 20 10 DECDHM C[C@]1(O)COCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236792607 1138430549 /nfs/dbraw/zinc/43/05/49/1138430549.db2.gz FUHQOUCYVZLLGN-CYBMUJFWSA-N -1 3 306.189 2.282 20 10 DECDHM COc1cc([O-])c(CN2CC[C@](O)(CF)[C@@H](F)C2)c(Cl)c1 ZINC001236799106 1138432112 /nfs/dbraw/zinc/43/21/12/1138432112.db2.gz RKXYJCBJYIYQOA-KBPBESRZSA-N -1 3 321.751 2.299 20 10 DECDHM COc1cc([O-])c(CN2CCCOCC2)c(Br)c1 ZINC001237058519 1138492522 /nfs/dbraw/zinc/49/25/22/1138492522.db2.gz ALDBXCAVOCFKQJ-UHFFFAOYSA-N -1 3 316.195 2.386 20 10 DECDHM Cc1cc([O-])c(CN2CCN(C#N)CC2)cc1Br ZINC001237683580 1138756269 /nfs/dbraw/zinc/75/62/69/1138756269.db2.gz COOISRIJNBDEAH-UHFFFAOYSA-N -1 3 310.195 2.062 20 10 DECDHM CC(C)(O)CN1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237802709 1138792553 /nfs/dbraw/zinc/79/25/53/1138792553.db2.gz OCVHLEHTWMBXAJ-UHFFFAOYSA-N -1 3 316.804 2.073 20 10 DECDHM CN(C)C(=O)c1cc2c([nH]1)CN(Cc1cc(F)ccc1[O-])CC2 ZINC001278254586 1138860110 /nfs/dbraw/zinc/86/01/10/1138860110.db2.gz AGRGMHUJNSWODR-UHFFFAOYSA-N -1 3 317.364 2.120 20 10 DECDHM COc1cc([O-])c(CN2CCC2)cc1I ZINC001248459193 1141800287 /nfs/dbraw/zinc/80/02/87/1141800287.db2.gz RNKAGLRPYLUVCB-UHFFFAOYSA-N -1 3 319.142 2.211 20 10 DECDHM O=Cc1ccc(OCCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001303879306 1147337496 /nfs/dbraw/zinc/33/74/96/1147337496.db2.gz XFXYPTIFDCRQFQ-UHFFFAOYSA-N -1 3 317.316 2.429 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CCn3ccnc32)c1 ZINC000834829925 649852662 /nfs/dbraw/zinc/85/26/62/649852662.db2.gz ABNFCFJAWIGHCV-ZWNOBZJWSA-N -1 3 301.346 2.171 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2cnn(C)c2)c1 ZINC000273550469 130135625 /nfs/dbraw/zinc/13/56/25/130135625.db2.gz FVWAOJHCXNRLQM-MNOVXSKESA-N -1 3 303.362 2.324 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCN(CC3CC3)CC2)c1[O-] ZINC000098110848 402137613 /nfs/dbraw/zinc/13/76/13/402137613.db2.gz RPONUDNHDWLYIZ-UHFFFAOYSA-N -1 3 306.381 2.262 20 10 DECDHM Cn1cncc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000177064735 402366407 /nfs/dbraw/zinc/36/64/07/402366407.db2.gz LGIQFLLYWXKDFA-INIZCTEOSA-N -1 3 301.390 2.307 20 10 DECDHM COC(=O)[C@]1(C)CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000186396812 402427993 /nfs/dbraw/zinc/42/79/93/402427993.db2.gz QOZYAJAMKQBKQL-INIZCTEOSA-N -1 3 309.337 2.261 20 10 DECDHM Cc1ccc(C(=O)N2CCC([C@H]3CCCO3)CC2)c([O-])c1O ZINC000187553965 402504656 /nfs/dbraw/zinc/50/46/56/402504656.db2.gz RRRNULKPRSTQKL-CQSZACIVSA-N -1 3 305.374 2.437 20 10 DECDHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2ncon2)c([O-])c1O ZINC000182480296 402693266 /nfs/dbraw/zinc/69/32/66/402693266.db2.gz PVNLRHQDBPDSPH-LLVKDONJSA-N -1 3 303.318 2.157 20 10 DECDHM C[C@@H]1CCNC(=O)[C@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000193700563 402776049 /nfs/dbraw/zinc/77/60/49/402776049.db2.gz VJGXZDILKXXHMT-HQJQHLMTSA-N -1 3 303.189 2.313 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC(CCC(N)=O)CC2)c1[O-] ZINC000271273308 402851630 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652424764 /nfs/dbraw/zinc/42/47/64/652424764.db2.gz MUAKYISOWGXBMD-OAHLLOKOSA-N -1 3 315.316 2.115 20 10 DECDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])c(OC)c1 ZINC000388749967 685430161 /nfs/dbraw/zinc/43/01/61/685430161.db2.gz DMIYBKQNZKWWLP-UHFFFAOYSA-N -1 3 303.314 2.045 20 10 DECDHM CC(=O)NC[C@H](CC(=O)NCc1c([O-])cccc1F)CC(C)C ZINC000928705979 693830529 /nfs/dbraw/zinc/83/05/29/693830529.db2.gz NCLYZEIVMFTPNN-ZDUSSCGKSA-N -1 3 324.396 2.336 20 10 DECDHM COc1ccc(CCC(=O)NCc2c([O-])cccc2F)cn1 ZINC000928710373 693831649 /nfs/dbraw/zinc/83/16/49/693831649.db2.gz KZPCKKFSGVAHSA-UHFFFAOYSA-N -1 3 304.321 2.184 20 10 DECDHM CC(C)C(=O)N1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928710705 693832188 /nfs/dbraw/zinc/83/21/88/693832188.db2.gz WBWCGYCRFGTOKF-UHFFFAOYSA-N -1 3 322.380 2.042 20 10 DECDHM CCC[C@]1(C)C(=O)NCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000187352431 684335903 /nfs/dbraw/zinc/33/59/03/684335903.db2.gz PHBYUVQTLIXEQO-QGZVFWFLSA-N -1 3 322.380 2.225 20 10 DECDHM C[C@H]1c2nncn2CCN1Cc1c([O-])cccc1Br ZINC000862342056 686279633 /nfs/dbraw/zinc/27/96/33/686279633.db2.gz LZRLIBGNSZUDQZ-VIFPVBQESA-N -1 3 323.194 2.323 20 10 DECDHM COC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000874043528 689345056 /nfs/dbraw/zinc/34/50/56/689345056.db2.gz USQDMLCMFGRSHV-HNNXBMFYSA-N -1 3 313.781 2.277 20 10 DECDHM COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000874043528 689345060 /nfs/dbraw/zinc/34/50/60/689345060.db2.gz USQDMLCMFGRSHV-HNNXBMFYSA-N -1 3 313.781 2.277 20 10 DECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000874560865 689441420 /nfs/dbraw/zinc/44/14/20/689441420.db2.gz GZKDCMZXPKBLHI-KWQFWETISA-N -1 3 319.279 2.280 20 10 DECDHM CNC(=O)OC[C@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894785233 692988468 /nfs/dbraw/zinc/98/84/68/692988468.db2.gz SJPCOCRURKXCMW-GFCCVEGCSA-N -1 3 314.332 2.381 20 10 DECDHM O=C1CCN(Cc2c([O-])cccc2Br)C[C@@H]1F ZINC001140101563 776793516 /nfs/dbraw/zinc/79/35/16/776793516.db2.gz XYKGVVTXKZLEBF-JTQLQIEISA-N -1 3 302.143 2.268 20 10 DECDHM O=C(Nc1c[nH]c(=O)c(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001148212321 791710760 /nfs/dbraw/zinc/71/07/60/791710760.db2.gz XEXOHSYNJDJVAD-UHFFFAOYSA-N -1 3 314.219 2.470 20 10 DECDHM CCc1noc([C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC001148218382 791712900 /nfs/dbraw/zinc/71/29/00/791712900.db2.gz AYNNLIZFHAGXPV-JTQLQIEISA-N -1 3 317.345 2.063 20 10 DECDHM O=C(Nc1c(F)cccc1OC1COC1)c1cccc(O)c1[O-] ZINC001148218708 791713161 /nfs/dbraw/zinc/71/31/61/791713161.db2.gz IBNZRDJLSFHRIR-UHFFFAOYSA-N -1 3 319.288 2.267 20 10 DECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC(c2ccccn2)CC1 ZINC001148583809 791777437 /nfs/dbraw/zinc/77/74/37/791777437.db2.gz CAGLXDPIKHRIAQ-UHFFFAOYSA-N -1 3 314.341 2.218 20 10 DECDHM O=C(N[C@H]1CCCc2cccnc21)c1cc(O)c([O-])c(O)c1 ZINC001148589577 791778607 /nfs/dbraw/zinc/77/86/07/791778607.db2.gz CIZVGGPRNGYGAF-NSHDSACASA-N -1 3 300.314 2.006 20 10 DECDHM O=C(Nc1ccccc1-n1cccn1)c1cc(O)c([O-])c(O)c1 ZINC001148588614 791778620 /nfs/dbraw/zinc/77/86/20/791778620.db2.gz WWAJZFUMWDOVCU-UHFFFAOYSA-N -1 3 311.297 2.241 20 10 DECDHM C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NCc1c([O-])cccc1F ZINC001178413060 794921988 /nfs/dbraw/zinc/92/19/88/794921988.db2.gz MHJVDMWRTIAHIY-MGPLVRAMSA-N -1 3 321.323 2.451 20 10 DECDHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1N ZINC000070439049 795256823 /nfs/dbraw/zinc/25/68/23/795256823.db2.gz HBUHKMBQGQGNQH-UHFFFAOYSA-N -1 3 306.343 2.107 20 10 DECDHM CCOCc1ncn2c1CN(Cc1cc(F)ccc1[O-])CC2 ZINC001140055796 796470749 /nfs/dbraw/zinc/47/07/49/796470749.db2.gz VIVVGBJZFLAWRW-UHFFFAOYSA-N -1 3 305.353 2.280 20 10 DECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ncc[nH]1 ZINC001187741110 796572709 /nfs/dbraw/zinc/57/27/09/796572709.db2.gz OBAYTOIBKXLNOG-UHFFFAOYSA-N -1 3 302.721 2.247 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CCCN(c2ncccn2)CC1 ZINC001142524773 796747076 /nfs/dbraw/zinc/74/70/76/796747076.db2.gz JXUSJSLUAFZACX-UHFFFAOYSA-N -1 3 320.343 2.173 20 10 DECDHM COc1ccccc1C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001156307160 797970754 /nfs/dbraw/zinc/97/07/54/797970754.db2.gz QOBUCPGWCOCRKT-NSHDSACASA-N -1 3 301.342 2.467 20 10 DECDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](Oc2cnccn2)C1 ZINC001231912974 801749670 /nfs/dbraw/zinc/74/96/70/801749670.db2.gz BKGOQHDASCDNEU-GFCCVEGCSA-N -1 3 305.765 2.489 20 10 DECDHM CN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])ccc(F)c1F ZINC001233333299 802079053 /nfs/dbraw/zinc/07/90/53/802079053.db2.gz QTWBRJBXYKEFDU-MRXNPFEDSA-N -1 3 310.344 2.257 20 10 DECDHM COCC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1 ZINC001599199715 997282299 /nfs/dbraw/zinc/28/22/99/997282299.db2.gz PQXMYQYAPKEOMV-GFCCVEGCSA-N -1 3 323.389 2.184 20 10 DECDHM COC[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])C1CCOCC1 ZINC001599173895 998641428 /nfs/dbraw/zinc/64/14/28/998641428.db2.gz SWZVCKVNDCRHCI-IAQYHMDHSA-N -1 3 323.389 2.183 20 10 DECDHM C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594385230 999461898 /nfs/dbraw/zinc/46/18/98/999461898.db2.gz YPAONVRHQGILSB-STQMWFEESA-N -1 3 306.406 2.473 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602906119 1069790662 /nfs/dbraw/zinc/79/06/62/1069790662.db2.gz LTYVIJYEYGYCRC-ZRDIBKRKSA-N -1 3 320.356 2.328 20 10 DECDHM CC(=Cc1cccnc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602906119 1069790672 /nfs/dbraw/zinc/79/06/72/1069790672.db2.gz LTYVIJYEYGYCRC-ZRDIBKRKSA-N -1 3 320.356 2.328 20 10 DECDHM C[C@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661908 1070032260 /nfs/dbraw/zinc/03/22/60/1070032260.db2.gz DDNMAHXYXQSYKT-WDEREUQCSA-N -1 3 319.434 2.366 20 10 DECDHM CC(C)c1noc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC001604027364 1070179347 /nfs/dbraw/zinc/17/93/47/1070179347.db2.gz CYZLFGHOLGNRTR-SNVBAGLBSA-N -1 3 319.361 2.490 20 10 DECDHM CC(C)c1nc([C@H](CO)NC(=O)c2cccc(O)c2[O-])cs1 ZINC001452570862 1057107676 /nfs/dbraw/zinc/10/76/76/1057107676.db2.gz WWUXHZFQJQROHK-JTQLQIEISA-N -1 3 322.386 2.141 20 10 DECDHM C[C@@H](O)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1F ZINC001452808534 1057147988 /nfs/dbraw/zinc/14/79/88/1057147988.db2.gz CBZOVEZHUYEXLY-OTYXRUKQSA-N -1 3 305.305 2.089 20 10 DECDHM COc1ccc(C(=O)NCc2c([O-])cccc2F)cc1OC ZINC001456086732 1057813564 /nfs/dbraw/zinc/81/35/64/1057813564.db2.gz HCJCMBCDNKXAOG-UHFFFAOYSA-N -1 3 305.305 2.479 20 10 DECDHM CCOC(=O)[C@@](C)(CNC(=O)c1cccc(O)c1[O-])CC(C)C ZINC001456096878 1057815119 /nfs/dbraw/zinc/81/51/19/1057815119.db2.gz AGWYAKNCJHRSDS-QGZVFWFLSA-N -1 3 323.389 2.443 20 10 DECDHM COc1ccc(OC)c(C(=O)NCc2c([O-])cccc2F)c1 ZINC001471974602 1060354184 /nfs/dbraw/zinc/35/41/84/1060354184.db2.gz HBOVAMXYFAICCE-UHFFFAOYSA-N -1 3 305.305 2.479 20 10 DECDHM CSc1ccc([O-])c(C(=O)NCc2cccc(O)c2O)c1 ZINC001633515516 1078407237 /nfs/dbraw/zinc/40/72/37/1078407237.db2.gz DHSPHRJWMDAHHC-UHFFFAOYSA-N -1 3 305.355 2.455 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1cccc2nonc21 ZINC001671155532 1078400181 /nfs/dbraw/zinc/40/01/81/1078400181.db2.gz ICFMFXSXACGSCW-UHFFFAOYSA-N -1 3 302.265 2.389 20 10 DECDHM O=C(NCc1cc2c([nH]c1=O)CCCC2)c1cccc(O)c1[O-] ZINC001636073889 1078467722 /nfs/dbraw/zinc/46/77/22/1078467722.db2.gz HEXNGKMJERJJEU-UHFFFAOYSA-N -1 3 314.341 2.007 20 10 DECDHM COc1cccc(OCC(=O)NCc2c([O-])cccc2F)c1 ZINC001645048509 1078874243 /nfs/dbraw/zinc/87/42/43/1078874243.db2.gz YINYFTTYNKUGTF-UHFFFAOYSA-N -1 3 305.305 2.235 20 10 DECDHM CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464000 1076632322 /nfs/dbraw/zinc/63/23/22/1076632322.db2.gz NYPGMUQASWYINE-BBRMVZONSA-N -1 3 319.409 2.020 20 10 DECDHM CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465125 1076633547 /nfs/dbraw/zinc/63/35/47/1076633547.db2.gz SPEMQAWVEZLJSQ-CJNGLKHVSA-N -1 3 317.393 2.182 20 10 DECDHM CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590471563 1076636507 /nfs/dbraw/zinc/63/65/07/1076636507.db2.gz IZLXNZFJGKQASK-UHIISALHSA-N -1 3 317.393 2.038 20 10 DECDHM COC1(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCCC1 ZINC001591342116 1076728870 /nfs/dbraw/zinc/72/88/70/1076728870.db2.gz IIAMCUCODPMYLI-LLVKDONJSA-N -1 3 317.393 2.182 20 10 DECDHM Oc1ccc(F)cc1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001593540192 1077019565 /nfs/dbraw/zinc/01/95/65/1077019565.db2.gz SIDZKEZWHLNJNG-UHFFFAOYSA-N -1 3 303.272 2.463 20 10 DECDHM Oc1ccc(F)cc1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001593540192 1077019569 /nfs/dbraw/zinc/01/95/69/1077019569.db2.gz SIDZKEZWHLNJNG-UHFFFAOYSA-N -1 3 303.272 2.463 20 10 DECDHM COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001598870568 1077114350 /nfs/dbraw/zinc/11/43/50/1077114350.db2.gz DBELMFCHAGPYPJ-WZRBSPASSA-N -1 3 321.373 2.473 20 10 DECDHM Cc1c(C(=O)[O-])cc(CNCc2ccc3c(c2)CCO3)n1C ZINC001599994370 1077120575 /nfs/dbraw/zinc/12/05/75/1077120575.db2.gz WMVLJRBCVQKRKN-UHFFFAOYSA-N -1 3 300.358 2.256 20 10 DECDHM C[C@@H](N[C@H](CCO)c1ccco1)c1cc(C(=O)[O-])ccc1O ZINC001609776075 1077920994 /nfs/dbraw/zinc/92/09/94/1077920994.db2.gz PJASALONMIJFLB-ZWNOBZJWSA-N -1 3 305.330 2.458 20 10 DECDHM COC(CN(C)Cc1cc(F)cc(Br)c1[O-])OC ZINC001235304552 1084381208 /nfs/dbraw/zinc/38/12/08/1084381208.db2.gz ZGBMBINPPSIFAH-UHFFFAOYSA-N -1 3 322.174 2.345 20 10 DECDHM C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCN1C ZINC000715716571 1084945182 /nfs/dbraw/zinc/94/51/82/1084945182.db2.gz HAWBPDVGDVFQRQ-SECBINFHSA-N -1 3 317.202 2.430 20 10 DECDHM CC(C)NC(=O)N1CCC12CN(Cc1c([O-])cccc1Cl)C2 ZINC001275216723 1091618917 /nfs/dbraw/zinc/61/89/17/1091618917.db2.gz BTAGECGRGGNOLH-UHFFFAOYSA-N -1 3 323.824 2.424 20 10 DECDHM COC(=O)C1CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236801617 1138431931 /nfs/dbraw/zinc/43/19/31/1138431931.db2.gz KPJAKPDMEACOAF-UHFFFAOYSA-N -1 3 313.781 2.439 20 10 DECDHM COc1cc([O-])c(CN2CCO[C@@]3(CCOC3)C2)c(Cl)c1 ZINC001236797530 1138431982 /nfs/dbraw/zinc/43/19/82/1138431982.db2.gz FXXWMJAPXGRNLZ-HNNXBMFYSA-N -1 3 313.781 2.046 20 10 DECDHM COc1cc([O-])c(CN2CCN(CCF)CC2)c(Cl)c1 ZINC001236803563 1138433668 /nfs/dbraw/zinc/43/36/68/1138433668.db2.gz OYMRZBCNLZARGH-UHFFFAOYSA-N -1 3 302.777 2.141 20 10 DECDHM COc1cc([O-])c(CN2CCc3cnn(C)c3C2)c(Cl)c1 ZINC001236807522 1138435628 /nfs/dbraw/zinc/43/56/28/1138435628.db2.gz HFGWDFXPBAREJW-UHFFFAOYSA-N -1 3 307.781 2.346 20 10 DECDHM CCOC(=O)[C@@H]1CCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236812133 1138436878 /nfs/dbraw/zinc/43/68/78/1138436878.db2.gz RUVMDOGLVIVIQR-LLVKDONJSA-N -1 3 313.781 2.439 20 10 DECDHM CC(C)S(=O)(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001252561671 1142766679 /nfs/dbraw/zinc/76/66/79/1142766679.db2.gz RDERNLZDXGFKMB-UHFFFAOYSA-N -1 3 314.794 2.422 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001256255920 1143839467 /nfs/dbraw/zinc/83/94/67/1143839467.db2.gz ZNZNMDPXWWQQSC-UHFFFAOYSA-N -1 3 314.297 2.205 20 10 DECDHM CCCCOC(=O)CC[C@H](C)NCC(=O)c1ccc([O-])c(O)c1 ZINC001257385207 1143903052 /nfs/dbraw/zinc/90/30/52/1143903052.db2.gz FMOJOAGQKLFOFJ-LBPRGKRZSA-N -1 3 323.389 2.382 20 10 DECDHM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cccc(O)c1[O-] ZINC000369624459 533281606 /nfs/dbraw/zinc/28/16/06/533281606.db2.gz YXSBZUYPGYCSQA-CYBMUJFWSA-N -1 3 315.325 2.360 20 10 DECDHM CCn1cc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000273477890 130126852 /nfs/dbraw/zinc/12/68/52/130126852.db2.gz LIJHVNHRSBTEMW-NSHDSACASA-N -1 3 303.362 2.246 20 10 DECDHM COc1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])c(OC)n1 ZINC000289503384 131391656 /nfs/dbraw/zinc/39/16/56/131391656.db2.gz HIFKWVJAXWJRTD-UHFFFAOYSA-N -1 3 319.317 2.002 20 10 DECDHM C[C@@H](NCc1ncn(C)n1)c1ccc(Br)cc1[O-] ZINC000186214708 402411296 /nfs/dbraw/zinc/41/12/96/402411296.db2.gz XLTXQUBYQCHBFQ-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM Cc1cc([C@](C)(O)CNC(=O)c2ccc(C)c(O)c2[O-])c(C)o1 ZINC000179528840 402593882 /nfs/dbraw/zinc/59/38/82/402593882.db2.gz POLCWRMSRXRQFM-QGZVFWFLSA-N -1 3 319.357 2.254 20 10 DECDHM CC[C@H](C)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])C(=O)OC ZINC000183685922 402788846 /nfs/dbraw/zinc/78/88/46/402788846.db2.gz KGUIWDSRPKKEMC-XPTSAGLGSA-N -1 3 311.353 2.411 20 10 DECDHM COc1c([O-])c(CN2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000280492808 403005562 /nfs/dbraw/zinc/00/55/62/403005562.db2.gz FLQSGZOLOAIEJC-HZMBPMFUSA-N -1 3 322.361 2.308 20 10 DECDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H]1O ZINC000271234735 403282347 /nfs/dbraw/zinc/28/23/47/403282347.db2.gz AQMHWAYNYDWNQO-ZANVPECISA-N -1 3 300.196 2.357 20 10 DECDHM COc1cc(Cl)cc(CN(C)[C@H]2CCCCNC2=O)c1[O-] ZINC000363916251 404251766 /nfs/dbraw/zinc/25/17/66/404251766.db2.gz DTYLAAHYPYNFRB-LBPRGKRZSA-N -1 3 312.797 2.155 20 10 DECDHM Cc1ccc(C(=O)Nc2ncc(C(C)(C)O)s2)c([O-])c1O ZINC000291936838 404589043 /nfs/dbraw/zinc/58/90/43/404589043.db2.gz PBPOGFQAENGFHP-UHFFFAOYSA-N -1 3 308.359 2.342 20 10 DECDHM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000368461737 227011406 /nfs/dbraw/zinc/01/14/06/227011406.db2.gz LAYASYMRFDELRE-CQSZACIVSA-N -1 3 305.353 2.445 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ncccc2OC)c1 ZINC000834905840 649859067 /nfs/dbraw/zinc/85/90/67/649859067.db2.gz LSNWTTWOXPLSOL-NSHDSACASA-N -1 3 316.357 2.433 20 10 DECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1c([O-])ccc(Cl)c1F ZINC000364586608 303319948 /nfs/dbraw/zinc/31/99/48/303319948.db2.gz ZJRIHFOEHJTRCV-QIBSRJKCSA-N -1 3 312.772 2.271 20 10 DECDHM CC(C)NC(=O)CN[C@H](C)c1cc(Br)ccc1[O-] ZINC000181007222 519709195 /nfs/dbraw/zinc/70/91/95/519709195.db2.gz BEQDIWXPAUOKJL-SECBINFHSA-N -1 3 315.211 2.330 20 10 DECDHM COc1cc(Cl)cc(CN2CCC[C@]23CCOC3=O)c1[O-] ZINC000190035545 522536423 /nfs/dbraw/zinc/53/64/23/522536423.db2.gz IANGDSGFQRSTTP-OAHLLOKOSA-N -1 3 311.765 2.336 20 10 DECDHM CCc1nsc(N2CCN(Cc3cc(F)ccc3[O-])CC2)n1 ZINC000180196003 522965591 /nfs/dbraw/zinc/96/55/91/522965591.db2.gz MMLGPIOQRNLKQD-UHFFFAOYSA-N -1 3 322.409 2.267 20 10 DECDHM CCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736604355 598621603 /nfs/dbraw/zinc/62/16/03/598621603.db2.gz WYWHKIYPVBUXLL-UHFFFAOYSA-N -1 3 311.345 2.451 20 10 DECDHM COc1ccc(O)c([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737105509 598756365 /nfs/dbraw/zinc/75/63/65/598756365.db2.gz IGHCQRMBKCAYTD-VIFPVBQESA-N -1 3 312.333 2.149 20 10 DECDHM COc1ccc(O)c([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737105509 598756366 /nfs/dbraw/zinc/75/63/66/598756366.db2.gz IGHCQRMBKCAYTD-VIFPVBQESA-N -1 3 312.333 2.149 20 10 DECDHM Oc1ccccc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826511062 608376978 /nfs/dbraw/zinc/37/69/78/608376978.db2.gz ADEQZXBEQNJROM-UHFFFAOYSA-N -1 3 322.372 2.458 20 10 DECDHM Oc1ccccc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826511062 608376980 /nfs/dbraw/zinc/37/69/80/608376980.db2.gz ADEQZXBEQNJROM-UHFFFAOYSA-N -1 3 322.372 2.458 20 10 DECDHM Oc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000826511151 608377046 /nfs/dbraw/zinc/37/70/46/608377046.db2.gz DTXPQZDYGJIZTP-UHFFFAOYSA-N -1 3 318.340 2.155 20 10 DECDHM Oc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000826511151 608377048 /nfs/dbraw/zinc/37/70/48/608377048.db2.gz DTXPQZDYGJIZTP-UHFFFAOYSA-N -1 3 318.340 2.155 20 10 DECDHM COc1ccc(-c2nn[nH]n2)cc1NCc1cccc(F)c1[O-] ZINC000826186822 609482240 /nfs/dbraw/zinc/48/22/40/609482240.db2.gz MABBVQPBKBVUOM-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM CN(CC(=O)NCc1cccc(Cl)c1[O-])[C@H]1CCSC1 ZINC000890760690 623198550 /nfs/dbraw/zinc/19/85/50/623198550.db2.gz WGXHJKQAGLSOLE-NSHDSACASA-N -1 3 314.838 2.099 20 10 DECDHM COc1ccc(N2CCCN(c3cc(=O)[n-]c(C)n3)CC2)cc1 ZINC000891933762 624669687 /nfs/dbraw/zinc/66/96/87/624669687.db2.gz NALLMIRJVRHSRE-UHFFFAOYSA-N -1 3 314.389 2.216 20 10 DECDHM Cc1cccnc1CCNC(=O)NCc1c([O-])cccc1F ZINC000922714272 636343439 /nfs/dbraw/zinc/34/34/39/636343439.db2.gz ARDCTZRBHLXEJN-UHFFFAOYSA-N -1 3 303.337 2.277 20 10 DECDHM CCn1cc([C@H](C)NC(=O)NCc2c([O-])cccc2F)cn1 ZINC000922770463 636389310 /nfs/dbraw/zinc/38/93/10/636389310.db2.gz OKSPHVCMOBPSQI-JTQLQIEISA-N -1 3 306.341 2.308 20 10 DECDHM COc1ccc(C)cc1CCNC(=O)c1cccc(O)c1[O-] ZINC000186795575 636566366 /nfs/dbraw/zinc/56/63/66/636566366.db2.gz FZYSVHHQWGBCKN-UHFFFAOYSA-N -1 3 301.342 2.387 20 10 DECDHM C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])[C@H]1CO ZINC000894533465 637093607 /nfs/dbraw/zinc/09/36/07/637093607.db2.gz MSLILADODOAQFB-UFBFGSQYSA-N -1 3 318.186 2.497 20 10 DECDHM C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000187184322 637235152 /nfs/dbraw/zinc/23/51/52/637235152.db2.gz RWGPMRREKZTDDU-XHDPSFHLSA-N -1 3 301.342 2.340 20 10 DECDHM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(F)ccc1[O-] ZINC000895862106 638228450 /nfs/dbraw/zinc/22/84/50/638228450.db2.gz BZCKASUEXDEYAT-UONOGXRCSA-N -1 3 311.353 2.122 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898190200 641055119 /nfs/dbraw/zinc/05/51/19/641055119.db2.gz YVGDNQSISZAGMF-GHMZBOCLSA-N -1 3 304.159 2.059 20 10 DECDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](N2CCOCC2)C1 ZINC000775657881 642074541 /nfs/dbraw/zinc/07/45/41/642074541.db2.gz BARLIJFMHWZZBC-ZDUSSCGKSA-N -1 3 314.788 2.091 20 10 DECDHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000776745863 642203047 /nfs/dbraw/zinc/20/30/47/642203047.db2.gz NVTPDBVRPYNDCC-UHFFFAOYSA-N -1 3 320.370 2.176 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc2c(n1)CCCN2 ZINC000900668974 642438012 /nfs/dbraw/zinc/43/80/12/642438012.db2.gz DAEFDJLZIAEMGI-UHFFFAOYSA-N -1 3 301.321 2.214 20 10 DECDHM Cc1cc(Br)c([O-])c(CNCc2ccn(C)n2)c1 ZINC000781637055 642772893 /nfs/dbraw/zinc/77/28/93/642772893.db2.gz VRBZVNFUWMRLNF-UHFFFAOYSA-N -1 3 310.195 2.486 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000790563031 643867063 /nfs/dbraw/zinc/86/70/63/643867063.db2.gz UNRHDZUYFBZSSF-SECBINFHSA-N -1 3 319.279 2.281 20 10 DECDHM COc1cccc(O[C@@H](C)CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790793048 643894735 /nfs/dbraw/zinc/89/47/35/643894735.db2.gz PKKUYTDKTYECDC-NSHDSACASA-N -1 3 317.341 2.304 20 10 DECDHM C[C@H](C(=O)OC(C)(C)C)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000839814378 643957619 /nfs/dbraw/zinc/95/76/19/643957619.db2.gz NWAFHFJQCPLOIN-SNVBAGLBSA-N -1 3 321.373 2.433 20 10 DECDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)C1(S(C)(=O)=O)CC1 ZINC000796491821 644744677 /nfs/dbraw/zinc/74/46/77/644744677.db2.gz 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ZINC000188551967 684358782 /nfs/dbraw/zinc/35/87/82/684358782.db2.gz XRPYZFYJXCLKSM-VIFPVBQESA-N -1 3 312.329 2.163 20 10 DECDHM [O-]c1cccc(Br)c1CN1C[C@@H](F)C[C@H]1CO ZINC000862337557 686278873 /nfs/dbraw/zinc/27/88/73/686278873.db2.gz XAKLPRFAMADKPE-IUCAKERBSA-N -1 3 304.159 2.059 20 10 DECDHM Cc1noc(C2CN(Cc3c([O-])cccc3Br)C2)n1 ZINC000862389750 686290129 /nfs/dbraw/zinc/29/01/29/686290129.db2.gz VYUKMXUZWDUVEK-UHFFFAOYSA-N -1 3 324.178 2.446 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@](O)(c2ccccc2)C1 ZINC000862800352 686382688 /nfs/dbraw/zinc/38/26/88/686382688.db2.gz VXHRSCCHJOWZRD-SFHVURJKSA-N -1 3 313.353 2.222 20 10 DECDHM C[C@H](CN(C)C(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000863686539 686551778 /nfs/dbraw/zinc/55/17/78/686551778.db2.gz KJPMXNCZBWNZPW-SNVBAGLBSA-N -1 3 324.377 2.083 20 10 DECDHM CC(=O)c1cc(F)cc(CN(C)[C@H]2CCCCN(C)C2=O)c1[O-] ZINC000872263583 688967906 /nfs/dbraw/zinc/96/79/06/688967906.db2.gz RBXBEJPEUHCJFQ-HNNXBMFYSA-N -1 3 322.380 2.177 20 10 DECDHM C[C@](CO)(NCc1ccc(F)c(F)c1[O-])c1cccc(O)c1 ZINC000877648733 690178751 /nfs/dbraw/zinc/17/87/51/690178751.db2.gz SXSRUZTWSJTBRC-MRXNPFEDSA-N -1 3 309.312 2.373 20 10 DECDHM CNC(=O)c1ccc(C)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001441103168 1181848900 /nfs/dbraw/zinc/84/89/00/1181848900.db2.gz XGYUTPDFXXADCE-UHFFFAOYSA-N -1 3 300.314 2.018 20 10 DECDHM Cc1cc([N-]S(=O)(=O)c2ccc(O)c(N)c2)cc(C)c1O ZINC001211914269 780404437 /nfs/dbraw/zinc/40/44/37/780404437.db2.gz ZYMWCMYWOBSYNO-UHFFFAOYSA-N -1 3 308.359 2.098 20 10 DECDHM CC(=O)Nc1ccc(O)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148219939 791712096 /nfs/dbraw/zinc/71/20/96/791712096.db2.gz HBPQXXPRCCLWPW-UHFFFAOYSA-N -1 3 302.286 2.014 20 10 DECDHM CC1(C)CC(NC(=O)c2cccc(O)c2[O-])CC(C)(C)N1O ZINC001148220061 791714858 /nfs/dbraw/zinc/71/48/58/791714858.db2.gz NTLKYBVBDBYQIC-UHFFFAOYSA-N -1 3 308.378 2.238 20 10 DECDHM Cc1c(NC(=O)c2cc(O)c([O-])c(O)c2)ccc2c1OCCO2 ZINC001148586547 791778502 /nfs/dbraw/zinc/77/85/02/791778502.db2.gz RUWBIDZWLXKQFW-UHFFFAOYSA-N 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O=C([O-])c1ccc(C[N@@H+](CCO)Cc2cccs2)c([O-])c1 ZINC001231452001 801668246 /nfs/dbraw/zinc/66/82/46/801668246.db2.gz ZEGZTTMMDNMSKR-UHFFFAOYSA-N -1 3 307.371 2.146 20 10 DECDHM O=C([O-])c1ccc(C[NH+]2CCC(n3cccn3)CC2)c([O-])c1 ZINC001231453285 801669528 /nfs/dbraw/zinc/66/95/28/801669528.db2.gz FUPUTCRTKRWLNF-UHFFFAOYSA-N -1 3 301.346 2.124 20 10 DECDHM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232267153 801832304 /nfs/dbraw/zinc/83/23/04/801832304.db2.gz XXFZWXULIPFNPF-KOLCDFICSA-N -1 3 317.744 2.140 20 10 DECDHM COC(=O)[C@H](C(C)C)N(C)Cc1cc(Cl)c([O-])cc1O ZINC001232262748 801834045 /nfs/dbraw/zinc/83/40/45/801834045.db2.gz OKPMPRXTWCEMNI-ZDUSSCGKSA-N -1 3 301.770 2.381 20 10 DECDHM C[C@H]([NH2+]C[C@@H]1CCCS1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603655790 1070022947 /nfs/dbraw/zinc/02/29/47/1070022947.db2.gz ARJWKJSZCFONDV-UWVGGRQHSA-N -1 3 305.407 2.119 20 10 DECDHM C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603656696 1070023950 /nfs/dbraw/zinc/02/39/50/1070023950.db2.gz IAORIHZVNXKSNG-AMIZOPFISA-N -1 3 309.320 2.268 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc(-c2nc[nH]n2)cc1 ZINC001456030186 1057807810 /nfs/dbraw/zinc/80/78/10/1057807810.db2.gz RBJCTGGPOVAORW-UHFFFAOYSA-N -1 3 312.304 2.246 20 10 DECDHM CN(C)C(=O)c1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001471975931 1060354561 /nfs/dbraw/zinc/35/45/61/1060354561.db2.gz NEBDAASKZXEOQK-UHFFFAOYSA-N -1 3 316.332 2.163 20 10 DECDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001472755342 1060576807 /nfs/dbraw/zinc/57/68/07/1060576807.db2.gz UQTDSOQGXQDLSU-QMMMGPOBSA-N -1 3 305.290 2.150 20 10 DECDHM O=C(NCc1c2nc[nH]c2ccc1F)c1cccc(O)c1[O-] ZINC001631302439 1078361719 /nfs/dbraw/zinc/36/17/19/1078361719.db2.gz TWHOFZKXXVQCGB-UHFFFAOYSA-N -1 3 301.277 2.043 20 10 DECDHM CNC(=O)c1cccc(N(C)C(=O)c2ccc(C)c(O)c2[O-])c1 ZINC001638791072 1078580023 /nfs/dbraw/zinc/58/00/23/1078580023.db2.gz QCDUZXVAGOIIMX-UHFFFAOYSA-N -1 3 314.341 2.042 20 10 DECDHM C[C@H](CC(N)=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001639601212 1078620921 /nfs/dbraw/zinc/62/09/21/1078620921.db2.gz SJPRDEVWEACDCE-SNVBAGLBSA-N -1 3 314.341 2.329 20 10 DECDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@H](CO)C1 ZINC001235299311 1084379098 /nfs/dbraw/zinc/37/90/98/1084379098.db2.gz UCMPEFNLUCWQDW-SECBINFHSA-N -1 3 318.186 2.498 20 10 DECDHM CCN(C(=O)c1cccc(O)c1[O-])[C@H](CO)c1ccccc1 ZINC001558099743 1075082363 /nfs/dbraw/zinc/08/23/63/1075082363.db2.gz WIZKKIVPLOVXNJ-CQSZACIVSA-N -1 3 301.342 2.294 20 10 DECDHM COCC1(CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001591387835 1076738874 /nfs/dbraw/zinc/73/88/74/1076738874.db2.gz GDALWKVXIXGZMZ-NSHDSACASA-N -1 3 317.393 2.040 20 10 DECDHM Cc1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cn1 ZINC001592165022 1076865416 /nfs/dbraw/zinc/86/54/16/1076865416.db2.gz DKQUYNQRXQADKU-NSHDSACASA-N -1 3 310.361 2.127 20 10 DECDHM O=C([O-])[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001601772099 1077450868 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CC(=O)c1cc(F)cc(CN[C@H](c2nncn2C)C(C)C)c1[O-] ZINC000285300753 131155923 /nfs/dbraw/zinc/15/59/23/131155923.db2.gz HFXKRAJEDCMBDC-AWEZNQCLSA-N -1 3 320.368 2.349 20 10 DECDHM COc1cc(Cl)cc(CN2CCC[C@H](n3cncn3)C2)c1[O-] ZINC000184689179 402292164 /nfs/dbraw/zinc/29/21/64/402292164.db2.gz COEXIQDULCHHJD-ZDUSSCGKSA-N -1 3 322.796 2.483 20 10 DECDHM CC[C@@H](C)NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000176798042 402338435 /nfs/dbraw/zinc/33/84/35/402338435.db2.gz CZQITVOWBMZTJJ-ZBFHGGJFSA-N -1 3 320.433 2.288 20 10 DECDHM COc1ccc(OC)c2c1CN(Cc1ccccc1[O-])C[C@H]2O ZINC000179554263 402594224 /nfs/dbraw/zinc/59/42/24/402594224.db2.gz YSDFBKZSLGHSOY-OAHLLOKOSA-N -1 3 315.369 2.459 20 10 DECDHM O=C(NCc1ccco1)[C@@H]1CCCN1Cc1ccccc1[O-] ZINC000179559132 402594259 /nfs/dbraw/zinc/59/42/59/402594259.db2.gz ZVGCOTLVPUVCOD-HNNXBMFYSA-N -1 3 300.358 2.266 20 10 DECDHM C[C@@H](NCCS(C)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192773341 402749061 /nfs/dbraw/zinc/74/90/61/402749061.db2.gz 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ZINC000821109303 607305150 /nfs/dbraw/zinc/30/51/50/607305150.db2.gz GQLHJTUZATXNNQ-UHFFFAOYSA-N -1 3 310.361 2.384 20 10 DECDHM CN(CCCNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000184770574 634613173 /nfs/dbraw/zinc/61/31/73/634613173.db2.gz AUEQAJDFSXHNCP-UHFFFAOYSA-N -1 3 300.358 2.354 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000921993013 635793467 /nfs/dbraw/zinc/79/34/67/635793467.db2.gz UZVBPDBIGJTWRS-IAQYHMDHSA-N -1 3 308.353 2.288 20 10 DECDHM O=C(NCc1nc(-c2ccccc2)c[nH]1)c1cccc(O)c1[O-] ZINC000187036159 636851808 /nfs/dbraw/zinc/85/18/08/636851808.db2.gz KPSIHWSELGVDLV-UHFFFAOYSA-N -1 3 309.325 2.418 20 10 DECDHM C[C@@H]1OCC[C@]12CN(Cc1cc(F)cc(F)c1[O-])C[C@@H](C)O2 ZINC000894598107 637127365 /nfs/dbraw/zinc/12/73/65/637127365.db2.gz USTKVLLOULIGFW-GDLVEWKHSA-N -1 3 313.344 2.439 20 10 DECDHM [O-]c1c(F)cc(F)cc1CN1CCCN(CC(F)F)CC1 ZINC000894779962 637207584 /nfs/dbraw/zinc/20/75/84/637207584.db2.gz STASAMUYOQBQIZ-UHFFFAOYSA-N -1 3 306.303 2.443 20 10 DECDHM COCCN1[C@H](C)CN(Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000895078281 637511954 /nfs/dbraw/zinc/51/19/54/637511954.db2.gz GTYXEKJKJXNVSX-TXEJJXNPSA-N -1 3 314.376 2.211 20 10 DECDHM Cc1cc([O-])c(CN(CCS(C)(=O)=O)C2CC2)c(Cl)c1 ZINC000840916570 650379698 /nfs/dbraw/zinc/37/96/98/650379698.db2.gz KNGDLTIXBAKEOW-UHFFFAOYSA-N -1 3 317.838 2.363 20 10 DECDHM CC(=O)N1C[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)C[C@H]2C1 ZINC000895575779 638089386 /nfs/dbraw/zinc/08/93/86/638089386.db2.gz IZTBKPULCOJOAG-PHIMTYICSA-N -1 3 312.772 2.095 20 10 DECDHM CN(C)c1nccc(CNCc2cc(Cl)cc(F)c2[O-])n1 ZINC000757866041 639889778 /nfs/dbraw/zinc/88/97/78/639889778.db2.gz JDHVWLRMKYXHMR-UHFFFAOYSA-N -1 3 310.760 2.331 20 10 DECDHM CC(C)(C)OC(=O)CC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000888152140 640218399 /nfs/dbraw/zinc/21/83/99/640218399.db2.gz HYCIIROEJCOJSP-UHFFFAOYSA-N -1 3 309.362 2.338 20 10 DECDHM CCN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769382209 641229085 /nfs/dbraw/zinc/22/90/85/641229085.db2.gz 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[O-]c1cc(Br)ccc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000826952907 648952049 /nfs/dbraw/zinc/95/20/49/648952049.db2.gz WRZXGCOVCXUWTN-LLVKDONJSA-N -1 3 322.149 2.357 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000850499334 651940494 /nfs/dbraw/zinc/94/04/94/651940494.db2.gz NOTDQDPVBPYPOI-GBIKHYSHSA-N -1 3 316.361 2.127 20 10 DECDHM CC(C)C[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)CC(=O)[O-] ZINC000854244306 652664740 /nfs/dbraw/zinc/66/47/40/652664740.db2.gz ZEEQMNWUNPWSOV-NSHDSACASA-N -1 3 309.362 2.348 20 10 DECDHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928704871 693830427 /nfs/dbraw/zinc/83/04/27/693830427.db2.gz FYCCANWJYXMWTE-SNVBAGLBSA-N -1 3 319.380 2.377 20 10 DECDHM O=C(NCc1c([O-])cccc1F)C(F)(F)C1(O)CCCC1 ZINC000928707788 693830897 /nfs/dbraw/zinc/83/08/97/693830897.db2.gz IKFOMJBPTOASPT-UHFFFAOYSA-N -1 3 303.280 2.088 20 10 DECDHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709429 693831086 /nfs/dbraw/zinc/83/10/86/693831086.db2.gz FCQKZTNXVZPVIB-VFZGTOFNSA-N -1 3 303.337 2.237 20 10 DECDHM O=C(CCc1nnc(C(F)F)o1)NCc1c([O-])cccc1F ZINC000928710905 693831851 /nfs/dbraw/zinc/83/18/51/693831851.db2.gz XJTAMIRJDUJYEU-UHFFFAOYSA-N -1 3 315.251 2.101 20 10 DECDHM CN1CCCc2cc(CNC(=O)c3ccc(O)cc3[O-])ccc21 ZINC000194922145 685080700 /nfs/dbraw/zinc/08/07/00/685080700.db2.gz LNNHPMHYOJQMBE-UHFFFAOYSA-N -1 3 312.369 2.410 20 10 DECDHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)C1CC1 ZINC000863406572 686493146 /nfs/dbraw/zinc/49/31/46/686493146.db2.gz HLKNLMRPIBNACK-ZDUSSCGKSA-N -1 3 303.355 2.088 20 10 DECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H](C(F)(F)F)O1 ZINC000874560868 689441442 /nfs/dbraw/zinc/44/14/42/689441442.db2.gz GZKDCMZXPKBLHI-LDYMZIIASA-N -1 3 319.279 2.280 20 10 DECDHM COc1cc(CNCc2c([O-])cccc2Br)on1 ZINC000877635085 690174641 /nfs/dbraw/zinc/17/46/41/690174641.db2.gz BUMHXAKIVDODEU-UHFFFAOYSA-N -1 3 313.151 2.441 20 10 DECDHM CSCc1nc(CNCc2c([O-])ccc(Cl)c2F)n[nH]1 ZINC000886326805 692056690 /nfs/dbraw/zinc/05/66/90/692056690.db2.gz UBEVCFIIIHKUOH-UHFFFAOYSA-N -1 3 316.789 2.456 20 10 DECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCc2nc[nH]c2C1 ZINC000894953118 692992898 /nfs/dbraw/zinc/99/28/98/692992898.db2.gz FGZPVRUFXZBRKR-JTQLQIEISA-N -1 3 320.780 2.125 20 10 DECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCc2[nH]cnc2C1 ZINC000894953118 692992900 /nfs/dbraw/zinc/99/29/00/692992900.db2.gz FGZPVRUFXZBRKR-JTQLQIEISA-N -1 3 320.780 2.125 20 10 DECDHM Cc1ccc(O)c(CNC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC001147957436 791662812 /nfs/dbraw/zinc/66/28/12/791662812.db2.gz RFEMCTTYAHKEDC-UHFFFAOYSA-N -1 3 301.298 2.065 20 10 DECDHM O=C(NCc1cc(C(F)(F)F)ccn1)c1cccc(O)c1[O-] ZINC001148220051 791714989 /nfs/dbraw/zinc/71/49/89/791714989.db2.gz NMKRQKPLRAIAJY-UHFFFAOYSA-N -1 3 312.247 2.442 20 10 DECDHM COc1nc(Cl)ccc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582545 791777862 /nfs/dbraw/zinc/77/78/62/791777862.db2.gz KOGRDAPSOCVDLA-UHFFFAOYSA-N -1 3 310.693 2.113 20 10 DECDHM O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148586555 791778455 /nfs/dbraw/zinc/77/84/55/791778455.db2.gz RZVYIDZCAVZWPX-UHFFFAOYSA-N -1 3 313.265 2.162 20 10 DECDHM O=C(NCc1nc2cnccc2s1)c1cccc(O)c1[O-] ZINC001177554688 794690512 /nfs/dbraw/zinc/69/05/12/794690512.db2.gz FFCCMPYJZFZQOJ-UHFFFAOYSA-N -1 3 301.327 2.033 20 10 DECDHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccccc1O ZINC001119330673 795289867 /nfs/dbraw/zinc/28/98/67/795289867.db2.gz QGBUTSJLBZKFAY-LLVKDONJSA-N -1 3 301.346 2.006 20 10 DECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C(=O)C1CC1 ZINC001182671467 795725912 /nfs/dbraw/zinc/72/59/12/795725912.db2.gz SQRPHIUUIRVDJQ-UHFFFAOYSA-N -1 3 304.733 2.189 20 10 DECDHM CCOC[C@H]1Cn2nccc2CN(Cc2c([O-])cccc2F)C1 ZINC001137836256 796144298 /nfs/dbraw/zinc/14/42/98/796144298.db2.gz XJGSHVHWAZZJBS-CYBMUJFWSA-N -1 3 319.380 2.396 20 10 DECDHM Cc1cncnc1O[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531088 796748529 /nfs/dbraw/zinc/74/85/29/796748529.db2.gz PJSZFUBVEPKDAO-GFCCVEGCSA-N -1 3 321.327 2.422 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](Oc2ncccn2)C1 ZINC001142530306 796748547 /nfs/dbraw/zinc/74/85/47/796748547.db2.gz CJEJXBJDZBDBCG-LLVKDONJSA-N -1 3 307.300 2.114 20 10 DECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1ccccc1F ZINC001150198028 796927387 /nfs/dbraw/zinc/92/73/87/796927387.db2.gz QEQCJYMQFAFKCD-UKRRQHHQSA-N -1 3 319.332 2.479 20 10 DECDHM COC(=O)c1ccccc1NC(=S)NCc1ncccc1[O-] ZINC001198996228 798427433 /nfs/dbraw/zinc/42/74/33/798427433.db2.gz GSRXBDCCAZZGGV-UHFFFAOYSA-N -1 3 317.370 2.060 20 10 DECDHM [O-]c1ccc(Br)cc1CN1C[C@H](CO)C[C@H](F)C1 ZINC001203635643 800096653 /nfs/dbraw/zinc/09/66/53/800096653.db2.gz BVUDITBFRVHXJO-SKDRFNHKSA-N -1 3 318.186 2.307 20 10 DECDHM COc1c([O-])c(CNc2cncc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC001207082582 800677105 /nfs/dbraw/zinc/67/71/05/800677105.db2.gz FOIVQROLIKGXOZ-UHFFFAOYSA-N -1 3 318.333 2.382 20 10 DECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c([O-])c1 ZINC001231454560 801668956 /nfs/dbraw/zinc/66/89/56/801668956.db2.gz RPOFPFCZICYNKU-AWEZNQCLSA-N -1 3 314.341 2.139 20 10 DECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c([O-])c1 ZINC001231454560 801668960 /nfs/dbraw/zinc/66/89/60/801668960.db2.gz RPOFPFCZICYNKU-AWEZNQCLSA-N -1 3 314.341 2.139 20 10 DECDHM CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C[C@@H]21 ZINC001231564643 801686882 /nfs/dbraw/zinc/68/68/82/801686882.db2.gz VIASPLXFPKMPIU-INWMFGNUSA-N -1 3 305.374 2.337 20 10 DECDHM CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C[C@@H]21 ZINC001231564643 801686886 /nfs/dbraw/zinc/68/68/86/801686886.db2.gz VIASPLXFPKMPIU-INWMFGNUSA-N -1 3 305.374 2.337 20 10 DECDHM [O-]c1cc(O)c(CN2CC(Oc3cccnc3)C2)cc1Cl ZINC001232268796 801836370 /nfs/dbraw/zinc/83/63/70/801836370.db2.gz SALXHFXCAZZEKM-UHFFFAOYSA-N -1 3 306.749 2.409 20 10 DECDHM COc1ncnc2c1CCN(Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233075276 802020505 /nfs/dbraw/zinc/02/05/05/802020505.db2.gz USDKPLHRCYMVDN-UHFFFAOYSA-N -1 3 321.327 2.070 20 10 DECDHM CCNC(=O)OC1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335905 802079651 /nfs/dbraw/zinc/07/96/51/802079651.db2.gz QIDTXLGNHZIECL-UHFFFAOYSA-N -1 3 314.332 2.381 20 10 DECDHM COc1cc(Br)cc([C@H](C)[NH2+]CCC(=O)[O-])c1[O-] ZINC001594050066 957972943 /nfs/dbraw/zinc/97/29/43/957972943.db2.gz OAQWVJNEEYEKRU-ZETCQYMHSA-N -1 3 318.167 2.289 20 10 DECDHM C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246561 994454362 /nfs/dbraw/zinc/45/43/62/994454362.db2.gz ACWOFLLISBIKDV-CWKPULSASA-N -1 3 311.403 2.042 20 10 DECDHM COc1cccc(CNCc2ccc(/C=C/C(=O)[O-])o2)c1O ZINC001599673765 994859929 /nfs/dbraw/zinc/85/99/29/994859929.db2.gz JGSOPHDYUAXLQG-BQYQJAHWSA-N -1 3 303.314 2.381 20 10 DECDHM C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603551790 1069987279 /nfs/dbraw/zinc/98/72/79/1069987279.db2.gz GGXWVCHBZXVJJV-VXGBXAGGSA-N -1 3 324.388 2.422 20 10 DECDHM C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604340333 1070339329 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O=C(NCc1ccnc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC001556672783 1075038788 /nfs/dbraw/zinc/03/87/88/1075038788.db2.gz AHDDTNAYUPLKEO-UHFFFAOYSA-N -1 3 312.247 2.442 20 10 DECDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(N)c([N+](=O)[O-])c1 ZINC001558454270 1075094997 /nfs/dbraw/zinc/09/49/97/1075094997.db2.gz DNWPDQWOZAOYCR-UHFFFAOYSA-N -1 3 319.292 2.260 20 10 DECDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1ccccc1O ZINC001581134029 1076043692 /nfs/dbraw/zinc/04/36/92/1076043692.db2.gz OISXRCZITOXJNQ-NSHDSACASA-N -1 3 323.356 2.372 20 10 DECDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1ccccc1O ZINC001581134029 1076043696 /nfs/dbraw/zinc/04/36/96/1076043696.db2.gz OISXRCZITOXJNQ-NSHDSACASA-N -1 3 323.356 2.372 20 10 DECDHM C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1cncs1 ZINC001589952113 1076533921 /nfs/dbraw/zinc/53/39/21/1076533921.db2.gz LIEIOYPEWAWEMY-DTWKUNHWSA-N -1 3 316.390 2.441 20 10 DECDHM CCC[C@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])OCC ZINC001590556992 1076652002 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DECDHM Cc1cccc(S(=O)(=O)NCc2c([O-])cccc2F)c1F ZINC001664351810 1080901134 /nfs/dbraw/zinc/90/11/34/1080901134.db2.gz OFASGMWRYUXTGY-UHFFFAOYSA-N -1 3 313.325 2.457 20 10 DECDHM O=c1cc(CNCc2cccc(Cl)c2[O-])nc2ccccn12 ZINC001665135780 1080993189 /nfs/dbraw/zinc/99/31/89/1080993189.db2.gz BPVODTSDQCVCCP-UHFFFAOYSA-N -1 3 315.760 2.343 20 10 DECDHM Cc1ccc(C(=O)Nc2cccnc2-c2cnn(C)c2)c([O-])c1O ZINC001625788284 1081936762 /nfs/dbraw/zinc/93/67/62/1081936762.db2.gz RPEYVSLPMUCMDR-UHFFFAOYSA-N -1 3 324.340 2.454 20 10 DECDHM COC[C@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000707144716 1086658875 /nfs/dbraw/zinc/65/88/75/1086658875.db2.gz QSDOJWYPCCKRIU-SNVBAGLBSA-N -1 3 316.195 2.002 20 10 DECDHM COc1ccc(CN2CCC(NC(C)=O)CC2)c([O-])c1Cl ZINC001236803434 1138432792 /nfs/dbraw/zinc/43/27/92/1138432792.db2.gz UEHCNEKMQAXRLA-UHFFFAOYSA-N -1 3 312.797 2.155 20 10 DECDHM COc1cc([O-])c(CN2CCc3nn(C)cc3C2)c(Cl)c1 ZINC001236802759 1138432966 /nfs/dbraw/zinc/43/29/66/1138432966.db2.gz KOKOCZGHCCZCTE-UHFFFAOYSA-N -1 3 307.781 2.346 20 10 DECDHM COc1ccc(CN2CCC[C@H](NC(C)=O)C2)c([O-])c1Cl ZINC001236810887 1138433481 /nfs/dbraw/zinc/43/34/81/1138433481.db2.gz AYDOXYVAXPPDNQ-LBPRGKRZSA-N -1 3 312.797 2.155 20 10 DECDHM COc1ccc(CN2CC[C@H](N(C)C(C)=O)C2)c([O-])c1Cl ZINC001236810664 1138437033 /nfs/dbraw/zinc/43/70/33/1138437033.db2.gz XDBISDOGTKAJCQ-LBPRGKRZSA-N -1 3 312.797 2.107 20 10 DECDHM COCCN(C)Cc1c([O-])cc(OC)cc1Br ZINC001237064133 1138496509 /nfs/dbraw/zinc/49/65/09/1138496509.db2.gz WYQQIYLJBLYFRI-UHFFFAOYSA-N -1 3 304.184 2.242 20 10 DECDHM COc1cc([O-])c(CN2CCO[C@@H](C)C2)c(Br)c1 ZINC001237066713 1138496752 /nfs/dbraw/zinc/49/67/52/1138496752.db2.gz ZHBDUNCNIZVVNF-VIFPVBQESA-N -1 3 316.195 2.384 20 10 DECDHM CN(C1CN(Cc2cc(Cl)cc(F)c2[O-])C1)[C@@H]1CCOC1 ZINC001237622598 1138719188 /nfs/dbraw/zinc/71/91/88/1138719188.db2.gz UZCWTNJYIXEMQL-GFCCVEGCSA-N -1 3 314.788 2.090 20 10 DECDHM CN(C1CN(Cc2cc(F)c(Cl)cc2[O-])C1)[C@H]1CCOC1 ZINC001237945347 1138811563 /nfs/dbraw/zinc/81/15/63/1138811563.db2.gz 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/nfs/dbraw/zinc/54/16/69/1147541669.db2.gz VRKGDFONECASDO-UHFFFAOYSA-N -1 3 314.267 2.122 20 10 DECDHM O=C1NCCN1[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000092188682 355620254 /nfs/dbraw/zinc/62/02/54/355620254.db2.gz ZOXZSKMVDOEMPM-ZDUSSCGKSA-N -1 3 309.797 2.035 20 10 DECDHM COc1cccc2c1OCC[C@@H]2NC(=O)c1cccc(O)c1[O-] ZINC000365099777 356666618 /nfs/dbraw/zinc/66/66/18/356666618.db2.gz NDLGQGRQFOVCGE-LBPRGKRZSA-N -1 3 315.325 2.360 20 10 DECDHM COC(=O)CN(Cc1c[nH]nc1C)Cc1cc(Cl)ccc1[O-] ZINC000093277175 193223359 /nfs/dbraw/zinc/22/33/59/193223359.db2.gz PHFAFZMROHLNJG-UHFFFAOYSA-N -1 3 323.780 2.252 20 10 DECDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NC(C)(C)C ZINC000273361958 296158701 /nfs/dbraw/zinc/15/87/01/296158701.db2.gz APHPNMLZUSAUTA-NXEZZACHSA-N -1 3 309.366 2.254 20 10 DECDHM COc1ncc(/C=C/C(=O)N2CCCc3cccc([O-])c32)cn1 ZINC000492642802 249106234 /nfs/dbraw/zinc/10/62/34/249106234.db2.gz BETSZSFGODVKAA-BQYQJAHWSA-N -1 3 311.341 2.183 20 10 DECDHM COCCN(Cc1ccccn1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272859268 130069960 /nfs/dbraw/zinc/06/99/60/130069960.db2.gz UNSJZVLDTGVEIM-UHFFFAOYSA-N -1 3 316.357 2.090 20 10 DECDHM COc1cc(Cl)cc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1[O-] ZINC000273706813 130156170 /nfs/dbraw/zinc/15/61/70/130156170.db2.gz FKTHWRQBMIANPT-AUKWLOTRSA-N -1 3 317.838 2.396 20 10 DECDHM COCCCN(CCOC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000128950714 401796545 /nfs/dbraw/zinc/79/65/45/401796545.db2.gz FXCMPOQRLBNRIM-UHFFFAOYSA-N -1 3 313.369 2.219 20 10 DECDHM CC(C)NC(=O)CN[C@H](C)c1ccc(Br)cc1[O-] ZINC000184896176 402307326 /nfs/dbraw/zinc/30/73/26/402307326.db2.gz PQIJQHBNPWXDMI-SECBINFHSA-N -1 3 315.211 2.330 20 10 DECDHM O=C(NCc1ccc(N2CCCC2)nc1)c1cccc(O)c1[O-] ZINC000186884466 402469238 /nfs/dbraw/zinc/46/92/38/402469238.db2.gz QQWAUASREHDIAD-UHFFFAOYSA-N -1 3 313.357 2.023 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCN(C2CCCCC2)CC1 ZINC000193137839 402766506 /nfs/dbraw/zinc/76/65/06/402766506.db2.gz KPEBLXWFGPWELT-UHFFFAOYSA-N -1 3 304.390 2.188 20 10 DECDHM COc1c([O-])c(CN[C@H](C)c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000278829165 402875802 /nfs/dbraw/zinc/87/58/02/402875802.db2.gz IMQGYNLFCDGAJK-SECBINFHSA-N -1 3 320.349 2.202 20 10 DECDHM Cc1ccc(C(=O)N[C@@H]2CCCC23CCOCC3)c([O-])c1O ZINC000282386969 403149157 /nfs/dbraw/zinc/14/91/57/403149157.db2.gz GWPVCCKJVXXHMF-CYBMUJFWSA-N -1 3 305.374 2.485 20 10 DECDHM COc1cc(Cl)cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1[O-] ZINC000368962877 403916646 /nfs/dbraw/zinc/91/66/46/403916646.db2.gz FICCDEFMJCYFMU-DUFXMDAXSA-N -1 3 324.808 2.140 20 10 DECDHM CCCN(Cc1ccccc1O)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000158834598 276256210 /nfs/dbraw/zinc/25/62/10/276256210.db2.gz WZHICJMGDUDHMB-UHFFFAOYSA-N -1 3 301.346 2.249 20 10 DECDHM CCOC(=O)[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000182272761 521307647 /nfs/dbraw/zinc/30/76/47/521307647.db2.gz ZOMMSFAEEPLCBW-CQSZACIVSA-N -1 3 309.337 2.261 20 10 DECDHM C[C@@H](C[S@@](C)=O)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000130973690 524866350 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c1cc(N2CCCC2)ccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000823756661 606045156 /nfs/dbraw/zinc/04/51/56/606045156.db2.gz DNLQKNFEBVKDGB-UHFFFAOYSA-N -1 3 321.388 2.474 20 10 DECDHM CCN1C(=O)C(=Cc2ccccc2-c2nnn[n-]2)SC1=S ZINC000825444590 607882392 /nfs/dbraw/zinc/88/23/92/607882392.db2.gz OSGZHMXEUCRTOD-YFHOEESVSA-N -1 3 317.399 2.088 20 10 DECDHM CCN1C(=O)C(=Cc2ccccc2-c2nn[n-]n2)SC1=S ZINC000825444590 607882393 /nfs/dbraw/zinc/88/23/93/607882393.db2.gz OSGZHMXEUCRTOD-YFHOEESVSA-N -1 3 317.399 2.088 20 10 DECDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC000825977146 607927362 /nfs/dbraw/zinc/92/73/62/607927362.db2.gz YXSRRHGLVWRUQB-UHFFFAOYSA-N -1 3 309.329 2.232 20 10 DECDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC000825977146 607927363 /nfs/dbraw/zinc/92/73/63/607927363.db2.gz YXSRRHGLVWRUQB-UHFFFAOYSA-N -1 3 309.329 2.232 20 10 DECDHM Cc1ccncc1C=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000826315285 609496193 /nfs/dbraw/zinc/49/61/93/609496193.db2.gz FIUFNGAPPCGTRJ-SREVYHEPSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ccncc1C=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000826315285 609496196 /nfs/dbraw/zinc/49/61/96/609496196.db2.gz FIUFNGAPPCGTRJ-SREVYHEPSA-N -1 3 320.356 2.246 20 10 DECDHM O=C1CC2(CN1)CCN(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000295308845 625151823 /nfs/dbraw/zinc/15/18/23/625151823.db2.gz KKSSWKZIFNUAAI-UHFFFAOYSA-N -1 3 312.772 2.287 20 10 DECDHM Cc1cccc(CCNC(=O)NCc2c([O-])cccc2F)n1 ZINC000922265925 636051162 /nfs/dbraw/zinc/05/11/62/636051162.db2.gz XYEMFOMIIYUWSE-UHFFFAOYSA-N -1 3 303.337 2.277 20 10 DECDHM Cn1cnnc1C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893959648 636076476 /nfs/dbraw/zinc/07/64/76/636076476.db2.gz NJHSMEQKONUVKY-UHFFFAOYSA-N -1 3 308.332 2.179 20 10 DECDHM Cc1cc(Br)c([O-])c(CN2CC(C)(CO)C2)c1 ZINC000839144886 637788785 /nfs/dbraw/zinc/78/87/85/637788785.db2.gz CCTSVEPTMGCDRW-UHFFFAOYSA-N -1 3 300.196 2.277 20 10 DECDHM CC(C)(O)C1CN(Cc2cccc(Br)c2[O-])C1 ZINC000839140663 637803024 /nfs/dbraw/zinc/80/30/24/637803024.db2.gz SJYHGWALAACJIU-UHFFFAOYSA-N -1 3 300.196 2.357 20 10 DECDHM Cc1cc([O-])c(CN2CCN(c3cccnn3)CC2)c(Cl)c1 ZINC000840915456 650379654 /nfs/dbraw/zinc/37/96/54/650379654.db2.gz ITYLWZHKZFEEBS-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM COCc1ncc2c(n1)CCN(Cc1cc(F)ccc1[O-])C2 ZINC000895415173 638011006 /nfs/dbraw/zinc/01/10/06/638011006.db2.gz NOOHSHPFIMOHTJ-UHFFFAOYSA-N -1 3 303.337 2.026 20 10 DECDHM Cc1cc([O-])c(CNCc2nnnn2CC2CC2)c(Cl)c1 ZINC000840939407 650390187 /nfs/dbraw/zinc/39/01/87/650390187.db2.gz XLYLOOPHFVJXCL-UHFFFAOYSA-N -1 3 307.785 2.040 20 10 DECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1(C)COC1 ZINC000744402273 638217054 /nfs/dbraw/zinc/21/70/54/638217054.db2.gz LTZOTXUOQDGBSM-UHFFFAOYSA-N -1 3 313.781 2.057 20 10 DECDHM Cc1nn(C)c2ncc(NC(=O)c3ccc(C)c(O)c3[O-])cc12 ZINC000751534284 639091647 /nfs/dbraw/zinc/09/16/47/639091647.db2.gz XKLRIARRJJYEOM-UHFFFAOYSA-N -1 3 312.329 2.249 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN(CC(F)F)C1 ZINC000928708756 639487907 /nfs/dbraw/zinc/48/79/07/639487907.db2.gz SNTLPUIAYDDYAA-SNVBAGLBSA-N -1 3 316.323 2.125 20 10 DECDHM CCC(CC)N1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928712624 639491197 /nfs/dbraw/zinc/49/11/97/639491197.db2.gz UTIWGNKBTYGNDH-LLVKDONJSA-N -1 3 322.380 2.185 20 10 DECDHM Cn1nccc1[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000897558188 640798359 /nfs/dbraw/zinc/79/83/59/640798359.db2.gz FMPLIIPKYHGYPP-OAHLLOKOSA-N -1 3 307.781 2.353 20 10 DECDHM COc1c([O-])c(CN2C[C@H](C)O[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000775097981 642006107 /nfs/dbraw/zinc/00/61/07/642006107.db2.gz MZYHPYDOKTVONP-HBNTYKKESA-N -1 3 310.350 2.307 20 10 DECDHM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(O)c1[O-] ZINC000776316640 642158446 /nfs/dbraw/zinc/15/84/46/642158446.db2.gz MULCAHFDWYFABB-UHFFFAOYSA-N -1 3 315.325 2.489 20 10 DECDHM O=C(NCc1cccc2c1OCCCO2)c1cccc(O)c1[O-] ZINC000776357976 642161584 /nfs/dbraw/zinc/16/15/84/642161584.db2.gz VNHQASSUOJVTFT-UHFFFAOYSA-N -1 3 315.325 2.189 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)c([O-])c1O ZINC000780863859 642680422 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ZINC000790773871 643891885 /nfs/dbraw/zinc/89/18/85/643891885.db2.gz PKGKWNWQOATXEA-CYBMUJFWSA-N -1 3 307.733 2.215 20 10 DECDHM CC[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000796930999 644813314 /nfs/dbraw/zinc/81/33/14/644813314.db2.gz MEKVTOWSYGCZFU-CQSZACIVSA-N -1 3 320.368 2.379 20 10 DECDHM O=C(NCc1cc(Cl)ccc1O)c1cnc(C2CC2)[n-]c1=O ZINC000911897646 645869092 /nfs/dbraw/zinc/86/90/92/645869092.db2.gz LCNDKWWPLATGCZ-UHFFFAOYSA-N -1 3 319.748 2.349 20 10 DECDHM CN(C[C@]1(O)CCc2ccccc21)C(=O)c1cccc(O)c1[O-] ZINC000843962087 651055991 /nfs/dbraw/zinc/05/59/91/651055991.db2.gz WGDZSQFKLNNVFH-GOSISDBHSA-N -1 3 313.353 2.004 20 10 DECDHM CCc1nnc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])s1 ZINC000810260549 646345548 /nfs/dbraw/zinc/34/55/48/646345548.db2.gz LSBQJHIEIVPLMR-VIFPVBQESA-N -1 3 321.402 2.444 20 10 DECDHM C[C@@H](CS(C)(=O)=O)N(C)Cc1ccc2ccccc2c1[O-] ZINC000816510894 647144492 /nfs/dbraw/zinc/14/44/92/647144492.db2.gz JBQKJZSJZLRSGW-LBPRGKRZSA-N -1 3 307.415 2.410 20 10 DECDHM Cc1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)c([O-])c1O ZINC000179506990 648386668 /nfs/dbraw/zinc/38/66/68/648386668.db2.gz CXPLIHILOPWGBA-UHFFFAOYSA-N -1 3 315.251 2.417 20 10 DECDHM COC[C@]1(CO)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825158613 648714739 /nfs/dbraw/zinc/71/47/39/648714739.db2.gz SGQHRFZCGPCWAU-CQSZACIVSA-N -1 3 303.761 2.016 20 10 DECDHM CCN(CC)c1ccc(CN(C)C(=O)c2cc(=O)[n-]cn2)cc1 ZINC000858200743 652277569 /nfs/dbraw/zinc/27/75/69/652277569.db2.gz AGMJRYQAVKMLBX-UHFFFAOYSA-N -1 3 314.389 2.301 20 10 DECDHM CS(=O)(=O)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000381748573 685402208 /nfs/dbraw/zinc/40/22/08/685402208.db2.gz QVFSAYHIWQEFEN-UHFFFAOYSA-N -1 3 303.811 2.055 20 10 DECDHM CN(C/C=C\C(=O)NCc1c([O-])cccc1F)CC(F)(F)F ZINC000928705359 693830693 /nfs/dbraw/zinc/83/06/93/693830693.db2.gz HNFNNSQWXHTMIH-UTCJRWHESA-N -1 3 320.286 2.198 20 10 DECDHM CCOC(=O)N1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928712692 693831610 /nfs/dbraw/zinc/83/16/10/693831610.db2.gz WHFVJKGLPLMQOF-LLVKDONJSA-N -1 3 324.352 2.016 20 10 DECDHM C[C@H]1CCc2[nH]nc(C(=O)NCc3c([O-])cccc3F)c2C1 ZINC000928710495 693831890 /nfs/dbraw/zinc/83/18/90/693831890.db2.gz TXGBTECMTKBFTG-VIFPVBQESA-N -1 3 303.337 2.309 20 10 DECDHM O=C1OCCN1C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000864049498 686605810 /nfs/dbraw/zinc/60/58/10/686605810.db2.gz HWUVZQDFOXUWJI-UHFFFAOYSA-N -1 3 312.316 2.087 20 10 DECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000874560863 689441687 /nfs/dbraw/zinc/44/16/87/689441687.db2.gz GZKDCMZXPKBLHI-KCJUWKMLSA-N -1 3 319.279 2.280 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000874960902 689546004 /nfs/dbraw/zinc/54/60/04/689546004.db2.gz OVHJJRFGSIGUNQ-KBPBESRZSA-N -1 3 310.353 2.201 20 10 DECDHM [O-]c1c(F)cc(F)cc1CNC[C@@H](n1cncn1)C(F)(F)F ZINC000883194010 691454036 /nfs/dbraw/zinc/45/40/36/691454036.db2.gz LTMSJDKWVFHYKT-SNVBAGLBSA-N -1 3 322.237 2.155 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@]12CCC[C@H]1OCC2 ZINC000926426771 693446480 /nfs/dbraw/zinc/44/64/80/693446480.db2.gz OOMMKLMHBQFJRW-GDBMZVCRSA-N -1 3 308.353 2.290 20 10 DECDHM CC1(C)O[C@@H]2C[C@@H](NC(=O)NCc3c([O-])cccc3F)C[C@@H]2O1 ZINC000927367854 693593183 /nfs/dbraw/zinc/59/31/83/693593183.db2.gz DMSKVJJIHIKUOX-CFWWUVRLSA-N -1 3 324.352 2.013 20 10 DECDHM O=S(=O)([N-]Cc1ccc(O)cc1O)c1ccc(Cl)s1 ZINC001212222370 783045250 /nfs/dbraw/zinc/04/52/50/783045250.db2.gz FLAJTDQAOZOEGZ-UHFFFAOYSA-N -1 3 319.791 2.291 20 10 DECDHM C[C@@H]1C[C@@H](O)CN1Cc1cc(Br)c(F)cc1[O-] ZINC001144299510 790848496 /nfs/dbraw/zinc/84/84/96/790848496.db2.gz YWSDSZCINKGSCC-VXNVDRBHSA-N -1 3 304.159 2.249 20 10 DECDHM Cc1cc(N(C)C)ncc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314943 786903958 /nfs/dbraw/zinc/90/39/58/786903958.db2.gz MIUDYEDXIGLUQJ-UHFFFAOYSA-N -1 3 301.346 2.162 20 10 DECDHM COC(C)(C)c1nsc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001170713356 788688153 /nfs/dbraw/zinc/68/81/53/788688153.db2.gz UNDYSMFMMIUJPA-UHFFFAOYSA-N -1 3 309.347 2.083 20 10 DECDHM Cc1ccn2cc(CN(C)C(=O)c3cccc(O)c3[O-])nc2c1 ZINC001148218435 791712820 /nfs/dbraw/zinc/71/28/20/791712820.db2.gz CUQMQUBKVMXQKE-UHFFFAOYSA-N -1 3 311.341 2.326 20 10 DECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCO[C@H](c2ccccc2)C1 ZINC001148583915 791777767 /nfs/dbraw/zinc/77/77/67/791777767.db2.gz HIEMZPUJPOWKLT-HNNXBMFYSA-N -1 3 315.325 2.017 20 10 DECDHM O=C(NCCCOc1cccc(F)c1)c1cc(O)c([O-])c(O)c1 ZINC001148591045 791778568 /nfs/dbraw/zinc/77/85/68/791778568.db2.gz RWDPLHSOFVMJMZ-UHFFFAOYSA-N -1 3 321.304 2.141 20 10 DECDHM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc(O)c([O-])c(O)c1 ZINC001148591249 791779360 /nfs/dbraw/zinc/77/93/60/791779360.db2.gz VZFZQWLYRYTELA-MRVPVSSYSA-N -1 3 301.289 2.359 20 10 DECDHM Cc1cc(C)c(CNC(=O)c2[n-]c(=O)ccc2Cl)c(O)c1 ZINC001184816065 796132303 /nfs/dbraw/zinc/13/23/03/796132303.db2.gz ATPVBRATCZMMKU-UHFFFAOYSA-N -1 3 306.749 2.119 20 10 DECDHM CCn1ncc2c1[C@@H](COC)CN(Cc1c([O-])cccc1F)C2 ZINC001137834446 796144420 /nfs/dbraw/zinc/14/44/20/796144420.db2.gz HFIZPYWFWHFSKE-CYBMUJFWSA-N -1 3 319.380 2.494 20 10 DECDHM COc1cccc([O-])c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001138152362 796171979 /nfs/dbraw/zinc/17/19/79/796171979.db2.gz FVYDUESXNIMXHE-SNVBAGLBSA-N -1 3 317.341 2.173 20 10 DECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC2(C1)CCOC2 ZINC001139126570 796328016 /nfs/dbraw/zinc/32/80/16/796328016.db2.gz LBGXEHNUSOUBLX-UHFFFAOYSA-N -1 3 301.342 2.029 20 10 DECDHM Cc1cnc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)nc1 ZINC001140464300 796525748 /nfs/dbraw/zinc/52/57/48/796525748.db2.gz KCYWWACOKQFAOM-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM O=C1CCCC2(CCN(Cc3cc(F)c(F)cc3[O-])CC2)N1 ZINC001142517350 796747305 /nfs/dbraw/zinc/74/73/05/796747305.db2.gz KBQVMRSXHPIVLR-UHFFFAOYSA-N -1 3 310.344 2.305 20 10 DECDHM O=C(NCc1ccccc1O)c1ccc(Br)c(=O)[n-]1 ZINC001193153818 797515269 /nfs/dbraw/zinc/51/52/69/797515269.db2.gz WPLYSBCWXFIYOO-UHFFFAOYSA-N -1 3 323.146 2.185 20 10 DECDHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccc(Cl)cc1[O-] ZINC001204975918 800280522 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COc1cc([O-])c(CN2CCO[C@@H](C)C2)cc1Br ZINC001233135330 802034028 /nfs/dbraw/zinc/03/40/28/802034028.db2.gz PZSRWDXSPYKQSF-VIFPVBQESA-N -1 3 316.195 2.384 20 10 DECDHM CCOC(=O)NC1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336211 802079069 /nfs/dbraw/zinc/07/90/69/802079069.db2.gz CNKFUVDCTJISPU-UHFFFAOYSA-N -1 3 314.332 2.381 20 10 DECDHM O=C1c2cccc(OC3CC(O)C3)c2C(=O)c2cccc([O-])c21 ZINC001218258093 802160747 /nfs/dbraw/zinc/16/07/47/802160747.db2.gz RIIXXPOWWYMSNR-UHFFFAOYSA-N -1 3 310.305 2.070 20 10 DECDHM COc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1O ZINC001221606230 802596410 /nfs/dbraw/zinc/59/64/10/802596410.db2.gz BRVDEDPFHROQFT-UHFFFAOYSA-N -1 3 320.320 2.245 20 10 DECDHM CCOc1ccc(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])c([O-])c1 ZINC001597101879 986721282 /nfs/dbraw/zinc/72/12/82/986721282.db2.gz HHKLUKJPHMAHBC-GFCCVEGCSA-N -1 3 311.403 2.183 20 10 DECDHM CCOc1ccc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])c([O-])c1 ZINC001597101879 986721290 /nfs/dbraw/zinc/72/12/90/986721290.db2.gz HHKLUKJPHMAHBC-GFCCVEGCSA-N 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/nfs/dbraw/zinc/37/29/13/1078372913.db2.gz CIUWYHDQCJKMOO-UHFFFAOYSA-N -1 3 311.341 2.026 20 10 DECDHM O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cccc(O)c1[O-] ZINC001636676919 1078486637 /nfs/dbraw/zinc/48/66/37/1078486637.db2.gz LQHHCXVXPKUEOA-HNNXBMFYSA-N -1 3 323.352 2.466 20 10 DECDHM Cn1nc(C(F)(F)F)cc1C(=O)NCc1c([O-])cccc1F ZINC001646034138 1079085061 /nfs/dbraw/zinc/08/50/61/1079085061.db2.gz IAHBBVDNUNVMFP-UHFFFAOYSA-N -1 3 317.242 2.214 20 10 DECDHM O=C(C=Cc1ccc(O)c(O)c1)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001556723193 1075041229 /nfs/dbraw/zinc/04/12/29/1075041229.db2.gz WBKUYVTZVKTUGU-QHHAFSJGSA-N -1 3 311.297 2.332 20 10 DECDHM C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589962919 1076536736 /nfs/dbraw/zinc/53/67/36/1076536736.db2.gz VFIAUTCVZMGHEW-RKDXNWHRSA-N -1 3 309.320 2.268 20 10 DECDHM CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCO1 ZINC001590504773 1076642402 /nfs/dbraw/zinc/64/24/02/1076642402.db2.gz KZNLOWHIUDYQSG-IJLUTSLNSA-N -1 3 317.393 2.181 20 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COc1ccc(CN2CCC[C@@H](n3cncn3)C2)c([O-])c1Cl ZINC001236805601 1138432771 /nfs/dbraw/zinc/43/27/71/1138432771.db2.gz ASSDWJJXMQYVLX-GFCCVEGCSA-N -1 3 322.796 2.483 20 10 DECDHM C[C@]1(CO)CN(Cc2c([O-])ccc(Cl)c2Cl)CC[C@@H]1O ZINC001237077301 1138500624 /nfs/dbraw/zinc/50/06/24/1138500624.db2.gz FJDRKJULCWHFGR-GXTWGEPZSA-N -1 3 320.216 2.264 20 10 DECDHM Cc1cc(CN2CC[C@@H](O)[C@@H](F)C2)c([O-])cc1Br ZINC001250120603 1142084745 /nfs/dbraw/zinc/08/47/45/1142084745.db2.gz KKDNITDQBVFQSB-NWDGAFQWSA-N -1 3 318.186 2.368 20 10 DECDHM CC[C@@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001251790801 1142511697 /nfs/dbraw/zinc/51/16/97/1142511697.db2.gz JWXMJUMGCIOHBP-SNVBAGLBSA-N -1 3 311.337 2.350 20 10 DECDHM COc1cccc2c1OCC[C@H]2NC(=O)c1cccc(O)c1[O-] ZINC000365099776 356666629 /nfs/dbraw/zinc/66/66/29/356666629.db2.gz NDLGQGRQFOVCGE-GFCCVEGCSA-N -1 3 315.325 2.360 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCCN(c2ccccc2)CC1 ZINC000192988276 296253923 /nfs/dbraw/zinc/25/39/23/296253923.db2.gz CEIZCUAFOOFIEE-UHFFFAOYSA-N -1 3 312.369 2.450 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccnc2OC)c1 ZINC000273418984 130118667 /nfs/dbraw/zinc/11/86/67/130118667.db2.gz RMZQXGXAEYQAQI-LLVKDONJSA-N -1 3 316.357 2.433 20 10 DECDHM Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2CO)c([O-])c1O ZINC000274833245 130265108 /nfs/dbraw/zinc/26/51/08/130265108.db2.gz SDTVESZHMCUBOM-HNNXBMFYSA-N -1 3 313.353 2.138 20 10 DECDHM COc1cc(Cl)cc(CN2CCC[C@@H]2C(=O)N(C)C)c1[O-] ZINC000184676345 402290664 /nfs/dbraw/zinc/29/06/64/402290664.db2.gz JTEKVZIHGHJATN-GFCCVEGCSA-N -1 3 312.797 2.107 20 10 DECDHM COC(=O)[C@@H](C)CN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177173181 402378675 /nfs/dbraw/zinc/37/86/75/402378675.db2.gz PDNWETCSPUDMJR-VIFPVBQESA-N -1 3 313.781 2.489 20 10 DECDHM O=C(/C=C/c1cncc([O-])c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179412199 402589444 /nfs/dbraw/zinc/58/94/44/402589444.db2.gz JRHTXEKTDJRPSX-DAFODLJHSA-N -1 3 311.297 2.298 20 10 DECDHM COC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccc(C)o1 ZINC000179533345 402593560 /nfs/dbraw/zinc/59/35/60/402593560.db2.gz XPDNBSHSKTZYGS-LBPRGKRZSA-N -1 3 305.330 2.425 20 10 DECDHM C[C@H]1CCNC(=O)[C@@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000193700553 402775834 /nfs/dbraw/zinc/77/58/34/402775834.db2.gz VJGXZDILKXXHMT-WRWORJQWSA-N -1 3 303.189 2.313 20 10 DECDHM COc1c([O-])c(CN(C)C[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000278238649 402861942 /nfs/dbraw/zinc/86/19/42/402861942.db2.gz NOWWSKNBQMSDQK-GFCCVEGCSA-N -1 3 310.350 2.310 20 10 DECDHM COc1c([O-])c(CN[C@@H](CCO)c2ccco2)ccc1[N+](=O)[O-] ZINC000278292601 402862396 /nfs/dbraw/zinc/86/23/96/402862396.db2.gz BVDZDIMAHLSCMP-NSHDSACASA-N -1 3 322.317 2.115 20 10 DECDHM COc1c([O-])c(CN(CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278430546 402866609 /nfs/dbraw/zinc/86/66/09/402866609.db2.gz TXXUSLFDQQXQOG-UHFFFAOYSA-N -1 3 318.329 2.308 20 10 DECDHM COc1c([O-])c(CNc2ccc(N(C)C)cn2)ccc1[N+](=O)[O-] ZINC000278528048 402867317 /nfs/dbraw/zinc/86/73/17/402867317.db2.gz UGDVNRZJSSWLKD-UHFFFAOYSA-N -1 3 318.333 2.382 20 10 DECDHM COc1c([O-])c(CNc2ccc(CCO)cc2)ccc1[N+](=O)[O-] ZINC000278898983 402883541 /nfs/dbraw/zinc/88/35/41/402883541.db2.gz QRVOLGCBWLDIME-UHFFFAOYSA-N -1 3 318.329 2.456 20 10 DECDHM CCN(CC(=O)OC)Cc1cc(Br)cc(C)c1[O-] ZINC000271735378 402883578 /nfs/dbraw/zinc/88/35/78/402883578.db2.gz OMBUPXDVAVCSLU-UHFFFAOYSA-N -1 3 316.195 2.458 20 10 DECDHM C[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(F)ccc1[O-] ZINC000273478352 403007979 /nfs/dbraw/zinc/00/79/79/403007979.db2.gz TZWDCADMSMITDD-JTQLQIEISA-N -1 3 318.352 2.180 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[S@](=O)CC2)c1[O-] ZINC000277337766 403207105 /nfs/dbraw/zinc/20/71/05/403207105.db2.gz VXWMOGGAXQOYFF-LADRHHBVSA-N -1 3 313.394 2.077 20 10 DECDHM CC[C@H]1CCCCN1CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276578983 403188165 /nfs/dbraw/zinc/18/81/65/403188165.db2.gz LIXDMZBFZIZKHG-NSHDSACASA-N -1 3 310.369 2.231 20 10 DECDHM CCC[C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271227197 403281887 /nfs/dbraw/zinc/28/18/87/403281887.db2.gz HRTWREIHJNYMNG-JTQLQIEISA-N -1 3 314.407 2.024 20 10 DECDHM CCN(Cc1cc(Br)ccc1[O-])CC1OCCO1 ZINC000182375685 521285120 /nfs/dbraw/zinc/28/51/20/521285120.db2.gz PBNURJKQTCNXBP-UHFFFAOYSA-N -1 3 316.195 2.350 20 10 DECDHM CCN(Cc1cc(F)ccc1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000180156360 521292173 /nfs/dbraw/zinc/29/21/73/521292173.db2.gz CFNMWYWSIPHNHG-NSHDSACASA-N -1 3 303.399 2.176 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NC[C@](C)(O)C(F)(F)F)c1 ZINC000273343713 536793821 /nfs/dbraw/zinc/79/38/21/536793821.db2.gz AENIBZLETUPKKH-SDBXPKJASA-N -1 3 321.295 2.143 20 10 DECDHM Cc1cc(C(=O)NC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235798 598609515 /nfs/dbraw/zinc/60/95/15/598609515.db2.gz ZNQFVLSQIAYGQV-UHFFFAOYSA-N -1 3 322.372 2.166 20 10 DECDHM COc1cc(O)c(CN2CCCC[C@H]2CNC(=O)[O-])cc1OC ZINC000833887346 605989441 /nfs/dbraw/zinc/98/94/41/605989441.db2.gz FCRRZVNWDKKHJV-LBPRGKRZSA-N -1 3 324.377 2.032 20 10 DECDHM CN(Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)OCO2 ZINC000825965851 609173611 /nfs/dbraw/zinc/17/36/11/609173611.db2.gz GDMDZADVHLTNDA-UHFFFAOYSA-N -1 3 315.358 2.293 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C2OCCO2)c1[O-] ZINC000933905894 624651489 /nfs/dbraw/zinc/65/14/89/624651489.db2.gz VBXMIFPSYKEUSE-CQSZACIVSA-N -1 3 309.337 2.071 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000921636766 633841424 /nfs/dbraw/zinc/84/14/24/633841424.db2.gz QARNRMRYSNURPY-VCTAVGKDSA-N -1 3 320.364 2.288 20 10 DECDHM Cc1nnc([C@H](C)NC(=O)NCc2c([O-])cccc2F)s1 ZINC000921958990 635761629 /nfs/dbraw/zinc/76/16/29/635761629.db2.gz RMXPYEGAOBCAIP-ZETCQYMHSA-N -1 3 310.354 2.252 20 10 DECDHM CC(C)OC(=O)CCCNC(=O)NCc1c([O-])cccc1F ZINC000921988412 635789636 /nfs/dbraw/zinc/78/96/36/635789636.db2.gz CQEGQVPZOUTMOG-UHFFFAOYSA-N -1 3 312.341 2.062 20 10 DECDHM C[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)c2nccn21 ZINC000922743486 636373056 /nfs/dbraw/zinc/37/30/56/636373056.db2.gz JLHKKPSHBHHFDI-BXKDBHETSA-N -1 3 304.325 2.233 20 10 DECDHM CCOC(=O)c1cnc(NCc2c([O-])cccc2F)nc1C ZINC000895832618 638224673 /nfs/dbraw/zinc/22/46/73/638224673.db2.gz IYHQBRSGPYSUCP-UHFFFAOYSA-N -1 3 305.309 2.419 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cnc2n1CCCCC2 ZINC000928712829 639492835 /nfs/dbraw/zinc/49/28/35/639492835.db2.gz VTUUYIRUUKLTMC-UHFFFAOYSA-N -1 3 303.337 2.384 20 10 DECDHM C[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(F)cc1[O-] ZINC000756492002 639665971 /nfs/dbraw/zinc/66/59/71/639665971.db2.gz YQYDZENVCOPXSQ-LLVKDONJSA-N -1 3 313.336 2.358 20 10 DECDHM CCN(CC)c1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000841806196 650568566 /nfs/dbraw/zinc/56/85/66/650568566.db2.gz DPJFTDKQGWXWAP-INIZCTEOSA-N -1 3 316.405 2.182 20 10 DECDHM COc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c([O-])c1 ZINC000763282578 640526746 /nfs/dbraw/zinc/52/67/46/640526746.db2.gz GFUAPHSWJBRWIY-SNVBAGLBSA-N -1 3 317.341 2.173 20 10 DECDHM COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770488690 641376169 /nfs/dbraw/zinc/37/61/69/641376169.db2.gz OJSZZWQDEXMOCC-UHFFFAOYSA-N -1 3 304.302 2.082 20 10 DECDHM C[C@@H]1[C@@H](C)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000775987271 642120521 /nfs/dbraw/zinc/12/05/21/642120521.db2.gz VIYGLMNLMSZLSJ-NXEZZACHSA-N -1 3 313.785 2.478 20 10 DECDHM CCC1(CC)CN(Cc2cc(F)ccc2[O-])CCS1(=O)=O ZINC000779225408 642474536 /nfs/dbraw/zinc/47/45/36/642474536.db2.gz RSBFLQIVXJTBRQ-UHFFFAOYSA-N -1 3 315.410 2.321 20 10 DECDHM [O-]c1ccc(Br)cc1CN1C[C@H](O)CC(F)(F)C1 ZINC000787438335 643492309 /nfs/dbraw/zinc/49/23/09/643492309.db2.gz OARHMIHIEZZHPN-SNVBAGLBSA-N -1 3 322.149 2.357 20 10 DECDHM CC(C)[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccnn1C ZINC000788538492 643622460 /nfs/dbraw/zinc/62/24/60/643622460.db2.gz OJMCCEDCZWJADL-GFCCVEGCSA-N -1 3 303.362 2.001 20 10 DECDHM COc1ccc(CCNC(=O)c2cccc(O)c2[O-])c(OC)c1 ZINC000790599210 643871008 /nfs/dbraw/zinc/87/10/08/643871008.db2.gz VMYCHHGAHGCLQF-UHFFFAOYSA-N -1 3 317.341 2.088 20 10 DECDHM CCOC(=O)Cc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000790710996 643884290 /nfs/dbraw/zinc/88/42/90/643884290.db2.gz HVMNQVFJPPNJNA-UHFFFAOYSA-N -1 3 315.325 2.456 20 10 DECDHM O=C(NCC[C@H]1COc2ccccc2O1)c1cccc(O)c1[O-] ZINC000790890947 643906570 /nfs/dbraw/zinc/90/65/70/643906570.db2.gz LZTIOZWBKZVIER-NSHDSACASA-N -1 3 315.325 2.058 20 10 DECDHM O=C(NCCc1cc(F)c(F)c(F)c1)c1cccc(O)c1[O-] ZINC000790923589 643909996 /nfs/dbraw/zinc/90/99/96/643909996.db2.gz WNVLARKCIHDHEN-UHFFFAOYSA-N -1 3 311.259 2.488 20 10 DECDHM CC1(C)CN(Cc2c([O-])ccc(Cl)c2F)CCN1CCO ZINC000792179760 644085374 /nfs/dbraw/zinc/08/53/74/644085374.db2.gz MOWNEOCHJMECQE-UHFFFAOYSA-N -1 3 316.804 2.073 20 10 DECDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)S(=O)[C@@H](C)C2)c1[O-] ZINC000792387905 644111492 /nfs/dbraw/zinc/11/14/92/644111492.db2.gz IVEBZKODUXPYKS-UWVGGRQHSA-N -1 3 313.394 2.075 20 10 DECDHM O=C1N=NCN1C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000798182622 644980189 /nfs/dbraw/zinc/98/01/89/644980189.db2.gz IHNYRDIPYWXZTO-UHFFFAOYSA-N -1 3 308.769 2.180 20 10 DECDHM Cc1cc(C)cc([C@@H](O)CNC(=O)c2cccc(O)c2[O-])c1 ZINC000801538051 645410877 /nfs/dbraw/zinc/41/08/77/645410877.db2.gz YCARFQPXTWKJFZ-HNNXBMFYSA-N -1 3 301.342 2.178 20 10 DECDHM COC(=O)C1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000917194032 647980901 /nfs/dbraw/zinc/98/09/01/647980901.db2.gz TZSPMYQQRNXZDX-UHFFFAOYSA-N -1 3 324.352 2.062 20 10 DECDHM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000821190600 648005642 /nfs/dbraw/zinc/00/56/42/648005642.db2.gz BTGVAEVUDHEOGE-ZDUSSCGKSA-N -1 3 315.391 2.174 20 10 DECDHM Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000919612267 648165565 /nfs/dbraw/zinc/16/55/65/648165565.db2.gz ZPFIIYZBPITYND-SECBINFHSA-N -1 3 306.341 2.134 20 10 DECDHM CCN(Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000824515159 648599930 /nfs/dbraw/zinc/59/99/30/648599930.db2.gz LEFZQRRTALQWAD-GFCCVEGCSA-N -1 3 317.838 2.363 20 10 DECDHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)cc1Cl ZINC000824851105 648662081 /nfs/dbraw/zinc/66/20/81/648662081.db2.gz SQQAZHREXZDKLV-GHMZBOCLSA-N -1 3 317.838 2.361 20 10 DECDHM COc1cccnc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000825250101 648730553 /nfs/dbraw/zinc/73/05/53/648730553.db2.gz VACFUGRKKXIGHP-UHFFFAOYSA-N -1 3 319.317 2.002 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@](O)(C(F)F)C2)c1[O-] ZINC000831175008 649548944 /nfs/dbraw/zinc/54/89/44/649548944.db2.gz CCUULUDYZNUUCI-AWEZNQCLSA-N -1 3 319.735 2.450 20 10 DECDHM CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000848291669 651450195 /nfs/dbraw/zinc/45/01/95/651450195.db2.gz ACJDKWRMNCRPLL-UHFFFAOYSA-N -1 3 314.407 2.024 20 10 DECDHM C[C@@H](NCc1c([O-])cccc1Br)c1ncnn1C ZINC000858160138 652268984 /nfs/dbraw/zinc/26/89/84/652268984.db2.gz OKBFCRLHBVXAFH-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM C[C@H]([C@H](C)N(C)Cc1cc(Cl)ccc1[O-])S(C)(=O)=O ZINC000093420637 684049935 /nfs/dbraw/zinc/04/99/35/684049935.db2.gz DAUDKMAXVJRICI-VHSXEESVSA-N -1 3 305.827 2.299 20 10 DECDHM C[C@H]1CCn2ncc(C(=O)NCc3c([O-])cccc3F)c2C1 ZINC000928705855 693830381 /nfs/dbraw/zinc/83/03/81/693830381.db2.gz LYSJTGXGPSBQKB-JTQLQIEISA-N -1 3 303.337 2.240 20 10 DECDHM CCON1CCC(CC(=O)NCc2c([O-])cccc2F)CC1 ZINC000928706178 693830447 /nfs/dbraw/zinc/83/04/47/693830447.db2.gz OUBKRIONWNSLQV-UHFFFAOYSA-N -1 3 310.369 2.201 20 10 DECDHM Cc1cc(C)nc(SCC(=O)NCc2c([O-])cccc2F)n1 ZINC000928710267 693831214 /nfs/dbraw/zinc/83/12/14/693831214.db2.gz SADRBRFCJMZMNX-UHFFFAOYSA-N -1 3 321.377 2.347 20 10 DECDHM CCc1nc(C)c(CC(=O)NCc2c([O-])cccc2F)c(C)n1 ZINC000928710500 693831699 /nfs/dbraw/zinc/83/16/99/693831699.db2.gz NIBZMEFLWZGRTR-UHFFFAOYSA-N -1 3 317.364 2.359 20 10 DECDHM C[C@](O)(CCNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000193169734 685033759 /nfs/dbraw/zinc/03/37/59/685033759.db2.gz IKCUANSFUQFFHG-KRWDZBQOSA-N -1 3 301.342 2.125 20 10 DECDHM COCCO[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877502651 690133496 /nfs/dbraw/zinc/13/34/96/690133496.db2.gz OZVUILCHDFMMPN-LBPRGKRZSA-N -1 3 301.333 2.298 20 10 DECDHM CCOC(=O)[C@@]1(C)CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000877703640 690197457 /nfs/dbraw/zinc/19/74/57/690197457.db2.gz BRMKDOJSBDOKCO-OAHLLOKOSA-N -1 3 313.781 2.200 20 10 DECDHM C[C@H]1C[C@@H](CO)N(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298391 790846058 /nfs/dbraw/zinc/84/60/58/790846058.db2.gz CVDVCLRNCTZJGY-WPRPVWTQSA-N -1 3 318.186 2.497 20 10 DECDHM Cc1cncc(N(Cc2ncc[nH]2)C(=O)c2cccc(O)c2[O-])c1 ZINC001147294550 791493782 /nfs/dbraw/zinc/49/37/82/791493782.db2.gz ODISIKRMPYJQJF-UHFFFAOYSA-N -1 3 324.340 2.371 20 10 DECDHM COc1cccnc1C(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC001148224787 791714311 /nfs/dbraw/zinc/71/43/11/791714311.db2.gz VGCYUQFNCJEEAI-UHFFFAOYSA-N -1 3 316.357 2.209 20 10 DECDHM O=C(Nc1c(Cl)cnnc1Cl)c1cc(O)c([O-])c(O)c1 ZINC001148582139 791777275 /nfs/dbraw/zinc/77/72/75/791777275.db2.gz YJZUIIPFISWBJI-UHFFFAOYSA-N -1 3 316.100 2.153 20 10 DECDHM O=C(Nc1cnccc1OC(F)F)c1cc(O)c([O-])c(O)c1 ZINC001148583118 791777446 /nfs/dbraw/zinc/77/74/46/791777446.db2.gz UJMYHFCSBKBCIO-UHFFFAOYSA-N -1 3 312.228 2.052 20 10 DECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001148582534 791777804 /nfs/dbraw/zinc/77/78/04/791777804.db2.gz JYXOKJOLQJTDNS-GFCCVEGCSA-N -1 3 323.242 2.168 20 10 DECDHM C[C@H]1C(=O)CCN(C(=O)c2cc(O)c([O-])c(O)c2)C12CCCC2 ZINC001148588303 791778361 /nfs/dbraw/zinc/77/83/61/791778361.db2.gz RTRODWJQOROPJZ-JTQLQIEISA-N -1 3 319.357 2.167 20 10 DECDHM O=C(Nc1ccc(C2OCCO2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148588302 791778444 /nfs/dbraw/zinc/77/84/44/791778444.db2.gz RQUYPMQLWYFHQK-UHFFFAOYSA-N -1 3 317.297 2.101 20 10 DECDHM COc1cc(OC)cc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001178410254 794920990 /nfs/dbraw/zinc/92/09/90/794920990.db2.gz OGVQNDIHXBKNEW-UHFFFAOYSA-N -1 3 305.305 2.479 20 10 DECDHM O=C([N-]C1CC[NH+](Cc2cc(F)ccc2[O-])CC1)C(F)(F)F ZINC001140054982 796471566 /nfs/dbraw/zinc/47/15/66/796471566.db2.gz CJYPOJHOGJCXEH-UHFFFAOYSA-N -1 3 320.286 2.174 20 10 DECDHM COC[C@@H]1Cn2ccnc2CN(Cc2cc(F)ccc2[O-])C1 ZINC001140063694 796472161 /nfs/dbraw/zinc/47/21/61/796472161.db2.gz WEQSGCYYTDCRNM-LBPRGKRZSA-N -1 3 305.353 2.006 20 10 DECDHM COC(=O)CC[C@@H]1COCCN1Cc1c([O-])cccc1Cl ZINC001140342347 796510800 /nfs/dbraw/zinc/51/08/00/796510800.db2.gz FUSOVAAVQPPKJV-LLVKDONJSA-N -1 3 313.781 2.200 20 10 DECDHM Cc1ccnc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC001140342362 796511044 /nfs/dbraw/zinc/51/10/44/796511044.db2.gz GJFANOUITILKQU-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM [O-]c1cc(Cl)ccc1CN1CCN(c2cnccn2)CC1 ZINC001140461901 796525908 /nfs/dbraw/zinc/52/59/08/796525908.db2.gz XGYJIXHKVLAQOJ-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM [O-]c1cc(Cl)ccc1CN1CCN(c2cncnc2)CC1 ZINC001140465416 796526224 /nfs/dbraw/zinc/52/62/24/796526224.db2.gz MORFZRLWAHMNGC-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM C[C@@H]([N-]S(=O)(=O)c1ncc(F)cc1F)c1ccccc1O ZINC001190197211 796962084 /nfs/dbraw/zinc/96/20/84/796962084.db2.gz VPDKFDSTCNYXBN-MRVPVSSYSA-N -1 3 314.313 2.105 20 10 DECDHM N[C@H]1CN(Cc2c([O-])cccc2Br)CCC1(F)F ZINC001206668328 798525745 /nfs/dbraw/zinc/52/57/45/798525745.db2.gz QAMUTCROGSBUNL-NSHDSACASA-N -1 3 321.165 2.323 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCOc2c(F)c(F)ccc21 ZINC001162772327 799169855 /nfs/dbraw/zinc/16/98/55/799169855.db2.gz AVBMKLGOTTZOEA-UHFFFAOYSA-N -1 3 307.252 2.415 20 10 DECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CCN1c1ccccn1 ZINC001203664836 800101993 /nfs/dbraw/zinc/10/19/93/800101993.db2.gz YMGYWDYODPWHLT-UHFFFAOYSA-N -1 3 317.776 2.289 20 10 DECDHM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccc(Cl)cc1[O-] ZINC001204975916 800280116 /nfs/dbraw/zinc/28/01/16/800280116.db2.gz NNVGBSVHTRVZMX-CHWSQXEVSA-N -1 3 313.781 2.198 20 10 DECDHM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccc(Cl)cc1[O-] ZINC001204975917 800280208 /nfs/dbraw/zinc/28/02/08/800280208.db2.gz NNVGBSVHTRVZMX-OLZOCXBDSA-N -1 3 313.781 2.198 20 10 DECDHM COC(=O)COc1ccccc1CNCc1c([O-])cccc1F ZINC001207623177 800791490 /nfs/dbraw/zinc/79/14/90/800791490.db2.gz SCJBACUYNHYHJW-UHFFFAOYSA-N -1 3 319.332 2.373 20 10 DECDHM CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452566 801669157 /nfs/dbraw/zinc/66/91/57/801669157.db2.gz CHVJJRUFCFAEOE-CQSZACIVSA-N -1 3 321.373 2.256 20 10 DECDHM CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452566 801669162 /nfs/dbraw/zinc/66/91/62/801669162.db2.gz CHVJJRUFCFAEOE-CQSZACIVSA-N -1 3 321.373 2.256 20 10 DECDHM CCN1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233026973 802005593 /nfs/dbraw/zinc/00/55/93/802005593.db2.gz JSDBHWHQJYUMAX-UHFFFAOYSA-N -1 3 317.202 2.431 20 10 DECDHM [O-]c1cc(Br)cc(F)c1CN1C[C@@H]2COC[C@@H]2C1 ZINC001233027535 802005636 /nfs/dbraw/zinc/00/56/36/802005636.db2.gz BFTCBXIFYFGEPF-DTORHVGOSA-N -1 3 316.170 2.372 20 10 DECDHM COCC1CN(Cc2cc(Br)c(OC)cc2[O-])C1 ZINC001233134996 802034944 /nfs/dbraw/zinc/03/49/44/802034944.db2.gz JCSHBKCYNFONMZ-UHFFFAOYSA-N -1 3 316.195 2.242 20 10 DECDHM C[C@@H]1CN(CCN(C)Cc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC001331548636 1149524117 /nfs/dbraw/zinc/52/41/17/1149524117.db2.gz MKYRSHCKAJXMAE-TXEJJXNPSA-N -1 3 314.376 2.211 20 10 DECDHM CCOc1ccc(C[NH2+][C@@H](C[C@@H]2CCCOC2)C(=O)[O-])c([O-])c1 ZINC001597101485 986717847 /nfs/dbraw/zinc/71/78/47/986717847.db2.gz VWDANPHHRDQRMR-WFASDCNBSA-N -1 3 323.389 2.150 20 10 DECDHM COC1([C@H](C)[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCOCC1 ZINC001599084035 997062344 /nfs/dbraw/zinc/06/23/44/997062344.db2.gz OQLDVUAUCQUZOL-NEPJUHHUSA-N -1 3 323.389 2.325 20 10 DECDHM C[C@H]([NH2+]CC[C@H]1CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661907 1070030458 /nfs/dbraw/zinc/03/04/58/1070030458.db2.gz DDNMAHXYXQSYKT-QWRGUYRKSA-N -1 3 319.434 2.366 20 10 DECDHM CC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056255 1070189374 /nfs/dbraw/zinc/18/93/74/1070189374.db2.gz RLNSFKDYIUOPDM-SMDDNHRTSA-N -1 3 317.393 2.040 20 10 DECDHM C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329130 1070330115 /nfs/dbraw/zinc/33/01/15/1070330115.db2.gz IDYMQZVEMAMSPD-GVXVVHGQSA-N -1 3 304.390 2.366 20 10 DECDHM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)ccn2)cc1F ZINC001605291101 1070672639 /nfs/dbraw/zinc/67/26/39/1070672639.db2.gz IAZGLMSJAOZEPN-UHFFFAOYSA-N -1 3 314.324 2.046 20 10 DECDHM COc1ccc(N(C)Cc2cc(-c3nn[n-]n3)ccn2)cc1F ZINC001605291101 1070672643 /nfs/dbraw/zinc/67/26/43/1070672643.db2.gz IAZGLMSJAOZEPN-UHFFFAOYSA-N -1 3 314.324 2.046 20 10 DECDHM COc1ccc2c(c1)CCCN2Cc1ccncc1-c1nnn[n-]1 ZINC001605308840 1070678381 /nfs/dbraw/zinc/67/83/81/1070678381.db2.gz OAMWUIZFKKPFSY-UHFFFAOYSA-N -1 3 322.372 2.223 20 10 DECDHM COc1ccc2c(c1)CCCN2Cc1ccncc1-c1nn[n-]n1 ZINC001605308840 1070678393 /nfs/dbraw/zinc/67/83/93/1070678393.db2.gz OAMWUIZFKKPFSY-UHFFFAOYSA-N -1 3 322.372 2.223 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC001462335863 1058803080 /nfs/dbraw/zinc/80/30/80/1058803080.db2.gz SASIGRJDPVQJCD-ZDUSSCGKSA-N -1 3 313.344 2.440 20 10 DECDHM O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1c([O-])cccc1F ZINC001471975796 1060353889 /nfs/dbraw/zinc/35/38/89/1060353889.db2.gz HRVVCCVQHFGCHJ-UHFFFAOYSA-N -1 3 322.267 2.438 20 10 DECDHM O=C1Nc2ccccc2C[C@@H]1NCc1cc(F)cc(F)c1[O-] ZINC001474233967 1060832726 /nfs/dbraw/zinc/83/27/26/1060832726.db2.gz GORLTQDEOGEXOI-AWEZNQCLSA-N -1 3 304.296 2.323 20 10 DECDHM NC(=O)[C@H](F)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001474691946 1060916070 /nfs/dbraw/zinc/91/60/70/1060916070.db2.gz XBQYHATXWUEVGE-GFCCVEGCSA-N -1 3 318.751 2.220 20 10 DECDHM CN(C)C(=O)O[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001621345428 1078173008 /nfs/dbraw/zinc/17/30/08/1078173008.db2.gz STKWYFRYGGYRAQ-NSHDSACASA-N -1 3 314.332 2.333 20 10 DECDHM COC(=O)c1cnc(NCc2c([O-])cccc2F)c([N+](=O)[O-])c1 ZINC001640434880 1078660529 /nfs/dbraw/zinc/66/05/29/1078660529.db2.gz NLHWPQDLWSLKBX-UHFFFAOYSA-N -1 3 321.264 2.233 20 10 DECDHM Cn1c(=O)[nH]c2ccc(C(=O)NCc3c([O-])cccc3F)cc21 ZINC001646034946 1079085235 /nfs/dbraw/zinc/08/52/35/1079085235.db2.gz OWXHKMXFZDJXLW-UHFFFAOYSA-N -1 3 315.304 2.054 20 10 DECDHM COCCOc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001558455152 1075094985 /nfs/dbraw/zinc/09/49/85/1075094985.db2.gz QLAAKPNTFMOREC-UHFFFAOYSA-N -1 3 319.332 2.487 20 10 DECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1C(=O)N(C)C ZINC001586520605 1076400861 /nfs/dbraw/zinc/40/08/61/1076400861.db2.gz DUSOPSCNKBDFBM-UHFFFAOYSA-N -1 3 314.341 2.360 20 10 DECDHM Oc1c(CNc2ccc(-c3nn[n-]n3)cn2)ccc2cccnc21 ZINC001593539337 1077019378 /nfs/dbraw/zinc/01/93/78/1077019378.db2.gz ZABFBIXSBIGLLP-UHFFFAOYSA-N -1 3 319.328 2.128 20 10 DECDHM C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780169 1077922123 /nfs/dbraw/zinc/92/21/23/1077922123.db2.gz SIDXERGGUKSSDP-BXKDBHETSA-N -1 3 301.346 2.022 20 10 DECDHM COc1ncccc1CN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610371149 1078009791 /nfs/dbraw/zinc/00/97/91/1078009791.db2.gz PACAOQBTDPGOHD-JTQLQIEISA-N -1 3 302.330 2.345 20 10 DECDHM O=C(N1CCCC1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001657630815 1080180664 /nfs/dbraw/zinc/18/06/64/1080180664.db2.gz ZXNHCTVSVABDTL-UHFFFAOYSA-N -1 3 323.824 2.379 20 10 DECDHM COc1ccccc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001664352747 1080900622 /nfs/dbraw/zinc/90/06/22/1080900622.db2.gz YINACAFYXCYYLP-UHFFFAOYSA-N -1 3 311.334 2.018 20 10 DECDHM C[C@@H]1CN(Cc2cc(F)cc(Br)c2[O-])CCN1C ZINC001235303590 1084379743 /nfs/dbraw/zinc/37/97/43/1084379743.db2.gz OQBNCDYUEULHMU-SECBINFHSA-N -1 3 317.202 2.430 20 10 DECDHM COc1cccnc1N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137840059 1086653960 /nfs/dbraw/zinc/65/39/60/1086653960.db2.gz QJPFXIBPCMBBFJ-UHFFFAOYSA-N -1 3 317.364 2.257 20 10 DECDHM CN(C)c1cc(F)c(CN[C@@H](CC(F)F)C(=O)[O-])cc1F ZINC001118979547 1090024853 /nfs/dbraw/zinc/02/48/53/1090024853.db2.gz LGHQIAQDRXIDOJ-JTQLQIEISA-N -1 3 308.275 2.229 20 10 DECDHM COCCN1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236790473 1138428341 /nfs/dbraw/zinc/42/83/41/1138428341.db2.gz OVFOFQDACXMIGM-UHFFFAOYSA-N -1 3 319.232 2.463 20 10 DECDHM COC(=O)C[C@H]1CCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236809725 1138434804 /nfs/dbraw/zinc/43/48/04/1138434804.db2.gz NXCHKOPGOVUICI-SNVBAGLBSA-N -1 3 313.781 2.439 20 10 DECDHM COc1ccc(CN2CCC[C@H](n3ccnn3)C2)c([O-])c1Cl ZINC001236809296 1138435117 /nfs/dbraw/zinc/43/51/17/1138435117.db2.gz KTQNMUUOLCDQBU-LBPRGKRZSA-N -1 3 322.796 2.483 20 10 DECDHM [O-]c1ccc(F)c(Cl)c1CN1CCN([C@H]2CCOC2)CC1 ZINC001237122037 1138508290 /nfs/dbraw/zinc/50/82/90/1138508290.db2.gz RCFPBBWNYPYQDR-NSHDSACASA-N -1 3 314.788 2.091 20 10 DECDHM COC(=O)CN(C)Cc1cc(Br)c(C)cc1[O-] ZINC001237680954 1138756776 /nfs/dbraw/zinc/75/67/76/1138756776.db2.gz GBUUSQWIRDYTIJ-UHFFFAOYSA-N -1 3 302.168 2.068 20 10 DECDHM COc1cc(NC(=S)NCc2ncccc2[O-])cc(OC)c1 ZINC001245004526 1140516609 /nfs/dbraw/zinc/51/66/09/1140516609.db2.gz XZDYIXIDUNAFCO-UHFFFAOYSA-N -1 3 319.386 2.291 20 10 DECDHM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Cl)ccc1[O-] ZINC000370365388 533043559 /nfs/dbraw/zinc/04/35/59/533043559.db2.gz FOXYHWYKEXZLSB-STQMWFEESA-N -1 3 313.781 2.198 20 10 DECDHM Cc1ccc(C(=O)NC[C@@H](O)CCc2ccccc2)c([O-])c1O ZINC000273326746 130107591 /nfs/dbraw/zinc/10/75/91/130107591.db2.gz XVFQFVLMGVHOPG-AWEZNQCLSA-N -1 3 315.369 2.130 20 10 DECDHM C[C@H](NC[C@@](C)(O)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273546781 130134785 /nfs/dbraw/zinc/13/47/85/130134785.db2.gz ZOAPDUGXTKRXKN-WRWORJQWSA-N -1 3 308.256 2.264 20 10 DECDHM C[C@H](NCc1cnnn1C)c1ccc(Br)cc1[O-] ZINC000287385904 131278206 /nfs/dbraw/zinc/27/82/06/131278206.db2.gz PTMXZGVYKGGTOW-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM CCCN(CC(=O)N(C)C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000122713062 402091513 /nfs/dbraw/zinc/09/15/13/402091513.db2.gz ATEWUPSFBDNPKN-UHFFFAOYSA-N -1 3 310.369 2.034 20 10 DECDHM Cc1noc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000109761481 402275969 /nfs/dbraw/zinc/27/59/69/402275969.db2.gz LOQZYQTVGTUHSP-CQSZACIVSA-N -1 3 303.362 2.265 20 10 DECDHM CCCCN(CC(N)=O)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184681791 402291301 /nfs/dbraw/zinc/29/13/01/402291301.db2.gz BJBSBVGAKYHQDW-UHFFFAOYSA-N -1 3 300.786 2.142 20 10 DECDHM CN(C)[C@@H](CNC(=O)c1cccc(O)c1[O-])c1cccs1 ZINC000186766106 402462584 /nfs/dbraw/zinc/46/25/84/402462584.db2.gz ZRGRLLUAHILZPF-NSHDSACASA-N -1 3 306.387 2.192 20 10 DECDHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@H]1c1ccccc1 ZINC000180014549 402604811 /nfs/dbraw/zinc/60/48/11/402604811.db2.gz UMKXBKULBKQFDT-INIZCTEOSA-N -1 3 300.333 2.204 20 10 DECDHM COc1c([O-])c(CN(C)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000278516089 402867519 /nfs/dbraw/zinc/86/75/19/402867519.db2.gz QYEFIIBWJZHZJH-UHFFFAOYSA-N -1 3 303.318 2.336 20 10 DECDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000279278867 402926107 /nfs/dbraw/zinc/92/61/07/402926107.db2.gz LGROCAYSKPMULG-LBPRGKRZSA-N -1 3 309.362 2.194 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CC[C@H](C)[S@@](=O)CC2)c1[O-] ZINC000277337764 403206984 /nfs/dbraw/zinc/20/69/84/403206984.db2.gz VXWMOGGAXQOYFF-CWKPULSASA-N -1 3 313.394 2.077 20 10 DECDHM Cc1ccc(C(=O)N2CCOC[C@@H](C3CCC3)C2)c([O-])c1O ZINC000293938551 403604393 /nfs/dbraw/zinc/60/43/93/403604393.db2.gz QZSHVQDLWRPHSQ-ZDUSSCGKSA-N -1 3 305.374 2.295 20 10 DECDHM CC[C@@H](C)N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000295337574 403865480 /nfs/dbraw/zinc/86/54/80/403865480.db2.gz XZEBJKKILYMKTA-GFCCVEGCSA-N -1 3 323.393 2.225 20 10 DECDHM COc1cc(Cl)cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1[O-] ZINC000368962879 403916437 /nfs/dbraw/zinc/91/64/37/403916437.db2.gz FICCDEFMJCYFMU-WFBYXXMGSA-N -1 3 324.808 2.140 20 10 DECDHM CN(CCN(C)C1CC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290496738 404192733 /nfs/dbraw/zinc/19/27/33/404192733.db2.gz OWPNVZRKDSJDIY-UHFFFAOYSA-N -1 3 313.785 2.480 20 10 DECDHM COc1cc(Cl)cc(CN(C)[C@@H](C)C[S@](C)=O)c1[O-] ZINC000187826867 533953013 /nfs/dbraw/zinc/95/30/13/533953013.db2.gz SOFMUMHKMZHYBG-UGZDLDLSSA-N -1 3 305.827 2.253 20 10 DECDHM Cc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)c([O-])c1O ZINC000371664120 534267386 /nfs/dbraw/zinc/26/73/86/534267386.db2.gz GJCIMTSZTGDCRD-HNNXBMFYSA-N -1 3 313.353 2.450 20 10 DECDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C[C@H](O)C(F)(F)F ZINC000189525584 521293773 /nfs/dbraw/zinc/29/37/73/521293773.db2.gz JWTUFBZLUNPDOM-LBPRGKRZSA-N -1 3 323.286 2.479 20 10 DECDHM COc1cc(Cl)cc(CN2CC(F)(F)C[C@H]2CO)c1[O-] ZINC000364843054 522536016 /nfs/dbraw/zinc/53/60/16/522536016.db2.gz VPBMBICXQLLTQW-JTQLQIEISA-N -1 3 307.724 2.256 20 10 DECDHM O=C(NCc1ccco1)[C@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000179918187 526778595 /nfs/dbraw/zinc/77/85/95/526778595.db2.gz XQSPKVGUWVWDQF-OAHLLOKOSA-N -1 3 318.348 2.405 20 10 DECDHM COc1cc(Br)cc(C[NH2+]CCCC(=O)[O-])c1[O-] ZINC000818556030 597265501 /nfs/dbraw/zinc/26/55/01/597265501.db2.gz JFLLTVWIPADZTG-UHFFFAOYSA-N -1 3 318.167 2.118 20 10 DECDHM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000318796863 635730606 /nfs/dbraw/zinc/73/06/06/635730606.db2.gz QRCLSUUWQDEMJQ-LLVKDONJSA-N -1 3 307.346 2.044 20 10 DECDHM C[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)c2nccn21 ZINC000922743489 636373005 /nfs/dbraw/zinc/37/30/05/636373005.db2.gz JLHKKPSHBHHFDI-SKDRFNHKSA-N -1 3 304.325 2.233 20 10 DECDHM Cc1nc2ccccc2n1CCNC(=O)c1cccc(O)c1[O-] ZINC000186807487 636567935 /nfs/dbraw/zinc/56/79/35/636567935.db2.gz MPLUAEGGSQZUJS-UHFFFAOYSA-N -1 3 311.341 2.186 20 10 DECDHM O=C(Nc1ccn(CCc2ccncc2)n1)c1cccc(O)c1[O-] ZINC000187055585 636905537 /nfs/dbraw/zinc/90/55/37/636905537.db2.gz VIUKYSNQXDRKMY-UHFFFAOYSA-N -1 3 324.340 2.184 20 10 DECDHM CCn1ncc(CNCc2cccc(Br)c2[O-])n1 ZINC000839054204 637763956 /nfs/dbraw/zinc/76/39/56/637763956.db2.gz AWGGGMZPFJQITB-UHFFFAOYSA-N -1 3 311.183 2.056 20 10 DECDHM COC(=O)C[C@H]1CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000840918547 650382293 /nfs/dbraw/zinc/38/22/93/650382293.db2.gz VSEVYVJHKNVELD-NSHDSACASA-N -1 3 313.781 2.118 20 10 DECDHM Cc1cc([O-])c(CN2CCC[C@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000840938245 650388932 /nfs/dbraw/zinc/38/89/32/650388932.db2.gz AABZUMHGSDSJTG-NSHDSACASA-N -1 3 317.838 2.363 20 10 DECDHM O=C1CC2(CCC2)N(Cc2cc(Cl)c(F)cc2[O-])CCN1 ZINC000895926743 638269861 /nfs/dbraw/zinc/26/98/61/638269861.db2.gz DORFJACWUVZBPV-UHFFFAOYSA-N -1 3 312.772 2.429 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C2OCCO2)c1[O-] ZINC000748049483 638503209 /nfs/dbraw/zinc/50/32/09/638503209.db2.gz CTLWTZGCMMAAHA-OAHLLOKOSA-N -1 3 323.364 2.461 20 10 DECDHM Cn1cc(CNCc2c([O-])cccc2F)c(Br)n1 ZINC000896639017 638621319 /nfs/dbraw/zinc/62/13/19/638621319.db2.gz DCQZFXLCDFUWFG-UHFFFAOYSA-N -1 3 314.158 2.317 20 10 DECDHM C[C@H](OCc1ccncc1)C(=O)NCc1c([O-])cccc1F ZINC000928704948 639483894 /nfs/dbraw/zinc/48/38/94/639483894.db2.gz BGPVJAVNUQEASE-NSHDSACASA-N -1 3 304.321 2.148 20 10 DECDHM COc1cc(Cl)cc([C@H]2NC3(CCCC3)C(=O)N2C)c1[O-] ZINC000758820353 639997561 /nfs/dbraw/zinc/99/75/61/639997561.db2.gz OQAOCPFKKFDUBH-ZDUSSCGKSA-N -1 3 310.781 2.427 20 10 DECDHM COc1nnc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)[n-]1 ZINC000770542124 641384087 /nfs/dbraw/zinc/38/40/87/641384087.db2.gz BQAPHORXRLPNAZ-UHFFFAOYSA-N -1 3 311.345 2.473 20 10 DECDHM COc1nc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[n-]1 ZINC000770542124 641384091 /nfs/dbraw/zinc/38/40/91/641384091.db2.gz BQAPHORXRLPNAZ-UHFFFAOYSA-N -1 3 311.345 2.473 20 10 DECDHM COc1n[n-]c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000770542124 641384095 /nfs/dbraw/zinc/38/40/95/641384095.db2.gz BQAPHORXRLPNAZ-UHFFFAOYSA-N -1 3 311.345 2.473 20 10 DECDHM O=C(NCc1ccc(OC(F)F)cn1)c1cccc(O)c1[O-] ZINC000773605375 641804328 /nfs/dbraw/zinc/80/43/28/641804328.db2.gz WDIZHRHFQWYMKR-UHFFFAOYSA-N -1 3 310.256 2.024 20 10 DECDHM COc1c([O-])c(CN2CCOC(C)(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000774904288 641979021 /nfs/dbraw/zinc/97/90/21/641979021.db2.gz GDRMRLCQPMMUND-SNVBAGLBSA-N -1 3 310.350 2.308 20 10 DECDHM CCNC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780857769 642680051 /nfs/dbraw/zinc/68/00/51/642680051.db2.gz WHPVXWUKZWPYPZ-UHFFFAOYSA-N -1 3 314.341 2.408 20 10 DECDHM O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2n[n-]nc21 ZINC000783573604 643022488 /nfs/dbraw/zinc/02/24/88/643022488.db2.gz YTMGYYUVFVHOHJ-UHFFFAOYSA-N -1 3 323.356 2.047 20 10 DECDHM CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(O)c1[O-] ZINC000790467166 643855601 /nfs/dbraw/zinc/85/56/01/643855601.db2.gz ZEGORUZNEAYUJK-NSHDSACASA-N -1 3 315.325 2.010 20 10 DECDHM COc1cccc(CCNC(=O)c2cccc(O)c2[O-])c1OC ZINC000790551870 643866292 /nfs/dbraw/zinc/86/62/92/643866292.db2.gz PWUIKQDRVQSMMV-UHFFFAOYSA-N -1 3 317.341 2.088 20 10 DECDHM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000790923275 643909747 /nfs/dbraw/zinc/90/97/47/643909747.db2.gz VEMQOEOEECCTLB-SNVBAGLBSA-N -1 3 324.377 2.131 20 10 DECDHM Cc1nonc1CNCc1cc(C)cc(Br)c1[O-] ZINC000809745080 646274708 /nfs/dbraw/zinc/27/47/08/646274708.db2.gz LTBPFGZWSHSKNT-UHFFFAOYSA-N -1 3 312.167 2.444 20 10 DECDHM CCS(=O)(=O)CCN(C)Cc1ccc2ccccc2c1[O-] ZINC000816514823 647145655 /nfs/dbraw/zinc/14/56/55/647145655.db2.gz IGEJULRPYRYDDR-UHFFFAOYSA-N -1 3 307.415 2.412 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000921468401 648315000 /nfs/dbraw/zinc/31/50/00/648315000.db2.gz NVHUEZJKTFRHEI-WDBKCZKBSA-N -1 3 308.353 2.288 20 10 DECDHM O=S(=O)(C[C@H]1CCCC1(F)F)NCc1c([O-])cccc1F ZINC000921451010 648319572 /nfs/dbraw/zinc/31/95/72/648319572.db2.gz IWPJAMGBVHLWTG-SECBINFHSA-N -1 3 323.336 2.386 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CC[C@@](O)(C(F)F)C1 ZINC000826052452 648842886 /nfs/dbraw/zinc/84/28/86/648842886.db2.gz DOIVDSRQVQDKJI-LBPRGKRZSA-N -1 3 322.149 2.357 20 10 DECDHM CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000827545223 649049263 /nfs/dbraw/zinc/04/92/63/649049263.db2.gz XJAGGODUPJCVRN-GFCCVEGCSA-N -1 3 311.813 2.233 20 10 DECDHM C[C@@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1(C)C ZINC000846257180 651318098 /nfs/dbraw/zinc/31/80/98/651318098.db2.gz ALBQEWRMVBJPDT-SNVBAGLBSA-N -1 3 318.377 2.001 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000856424338 651926366 /nfs/dbraw/zinc/92/63/66/651926366.db2.gz STHAKUJMNSNYHB-CALCHBBNSA-N -1 3 303.358 2.131 20 10 DECDHM O=C1[C@H](NCc2c([O-])ccc(Cl)c2F)CCN1C1CCC1 ZINC000858341780 652312751 /nfs/dbraw/zinc/31/27/51/652312751.db2.gz FIIWSWQAEWPSEK-GFCCVEGCSA-N -1 3 312.772 2.428 20 10 DECDHM CCOC(=O)N(C)CCCC(=O)NCc1c([O-])cccc1F ZINC000928710377 693831801 /nfs/dbraw/zinc/83/18/01/693831801.db2.gz LCEWZGJAJHXXAX-UHFFFAOYSA-N -1 3 312.341 2.016 20 10 DECDHM CONC(=O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000877786072 690228318 /nfs/dbraw/zinc/22/83/18/690228318.db2.gz SSQZMRDJIJECJL-UHFFFAOYSA-N -1 3 316.760 2.074 20 10 DECDHM CC(=O)c1cc(F)cc(Cn2cc(C(=O)C3CCC3)nn2)c1[O-] ZINC000880996401 691010673 /nfs/dbraw/zinc/01/06/73/691010673.db2.gz UPMZMIGINQADNU-UHFFFAOYSA-N -1 3 317.320 2.357 20 10 DECDHM CCOC(=O)c1cc(CNCc2cc(F)cc(F)c2[O-])on1 ZINC000883197636 691454868 /nfs/dbraw/zinc/45/48/68/691454868.db2.gz PPGQTIQUYXMNNO-UHFFFAOYSA-N -1 3 312.272 2.125 20 10 DECDHM C[C@H](NCc1nnc(C2CCOCC2)[nH]1)c1c([O-])cccc1F ZINC000886645192 692145959 /nfs/dbraw/zinc/14/59/59/692145959.db2.gz SPDYCXYBSLHDBW-JTQLQIEISA-N -1 3 320.368 2.394 20 10 DECDHM C[C@@H]1CN(C2CN(Cc3ccc(Cl)cc3[O-])C2)C[C@H](C)O1 ZINC001140468380 777201597 /nfs/dbraw/zinc/20/15/97/777201597.db2.gz ISXMOIBGFAJEIF-TXEJJXNPSA-N -1 3 310.825 2.339 20 10 DECDHM O=C1NCCC2(CCN(Cc3cc(F)c(F)cc3[O-])CC2)O1 ZINC001142527497 780794740 /nfs/dbraw/zinc/79/47/40/780794740.db2.gz WZZIYCHTNNHWBA-UHFFFAOYSA-N -1 3 312.316 2.135 20 10 DECDHM CCn1nccc(NCc2cc(Br)ccc2[O-])c1=O ZINC001171176668 790896883 /nfs/dbraw/zinc/89/68/83/790896883.db2.gz UVUDCKUBNOGBGR-UHFFFAOYSA-N -1 3 324.178 2.343 20 10 DECDHM CCOC(=O)[C@H](C)NCc1ccc(Br)cc1[O-] ZINC000691426236 785359901 /nfs/dbraw/zinc/35/99/01/785359901.db2.gz HRHKMCBAPJQXTQ-QMMMGPOBSA-N -1 3 302.168 2.196 20 10 DECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccn[nH]1 ZINC001146842313 791390054 /nfs/dbraw/zinc/39/00/54/791390054.db2.gz DSOBSVUMKIDOQD-UHFFFAOYSA-N -1 3 302.721 2.247 20 10 DECDHM CN1C(=O)NCc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC001148219383 791712088 /nfs/dbraw/zinc/71/20/88/791712088.db2.gz XAURZBRLHNUJQH-UHFFFAOYSA-N -1 3 313.313 2.010 20 10 DECDHM O=C(N[C@H]1CCc2c1c(F)ccc2F)c1cc(O)c([O-])c(O)c1 ZINC001148590447 791778481 /nfs/dbraw/zinc/77/84/81/791778481.db2.gz KGDIUJKUNVWGIR-NSHDSACASA-N -1 3 321.279 2.499 20 10 DECDHM NC(=O)c1csc(CNCc2ccc3ccccc3c2[O-])n1 ZINC001182941895 795781903 /nfs/dbraw/zinc/78/19/03/795781903.db2.gz OOSFEXCDXLQMMG-UHFFFAOYSA-N -1 3 313.382 2.391 20 10 DECDHM CCOCc1nnn2c1CN(Cc1cc(F)ccc1[O-])CCC2 ZINC001140054411 796471127 /nfs/dbraw/zinc/47/11/27/796471127.db2.gz PRQLIMNAEPOKRA-UHFFFAOYSA-N -1 3 320.368 2.065 20 10 DECDHM O=C1C[C@H](Oc2cccc(NCc3cccc(F)c3[O-])c2)N1 ZINC001206269928 800499309 /nfs/dbraw/zinc/49/93/09/800499309.db2.gz IKTRDBIPJDUBJP-HNNXBMFYSA-N -1 3 302.305 2.368 20 10 DECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c([O-])c1 ZINC001231455509 801669352 /nfs/dbraw/zinc/66/93/52/801669352.db2.gz QLDRDTSSVVDZQH-OAHLLOKOSA-N -1 3 314.341 2.139 20 10 DECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c([O-])c1 ZINC001231455509 801669354 /nfs/dbraw/zinc/66/93/54/801669354.db2.gz QLDRDTSSVVDZQH-OAHLLOKOSA-N -1 3 314.341 2.139 20 10 DECDHM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215146067 801812293 /nfs/dbraw/zinc/81/22/93/801812293.db2.gz ZRPUXMZSHRCTNS-UHFFFAOYSA-N -1 3 318.220 2.257 20 10 DECDHM COc1cc([O-])c(CN2CCc3cnn(C)c3C2)cc1Cl ZINC001232268541 801833611 /nfs/dbraw/zinc/83/36/11/801833611.db2.gz OUYSSPBAYZGEIL-UHFFFAOYSA-N -1 3 307.781 2.346 20 10 DECDHM C[C@H]1C[C@@H](CO)N(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233028952 802008457 /nfs/dbraw/zinc/00/84/57/802008457.db2.gz WXELDFMJHAGDOF-WPRPVWTQSA-N -1 3 318.186 2.497 20 10 DECDHM CCN(Cc1c([O-])cc(Br)cc1F)C1CN(C)C1 ZINC001233030466 802008725 /nfs/dbraw/zinc/00/87/25/802008725.db2.gz USKQPRBOJRNWSQ-UHFFFAOYSA-N -1 3 317.202 2.430 20 10 DECDHM COC[C@H]1CCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001233143055 802033900 /nfs/dbraw/zinc/03/39/00/802033900.db2.gz VGQUYAHLCIYBLK-SNVBAGLBSA-N -1 3 316.195 2.384 20 10 DECDHM [O-]c1ccc(F)c(F)c1CN1CCC(N2CC(F)C2)CC1 ZINC001233335077 802080422 /nfs/dbraw/zinc/08/04/22/802080422.db2.gz GNEXHRFPSFHARF-UHFFFAOYSA-N -1 3 300.324 2.289 20 10 DECDHM CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])C(C)C ZINC001596186571 983558971 /nfs/dbraw/zinc/55/89/71/983558971.db2.gz KLPMVOFZYJIWQH-ABAIWWIYSA-N -1 3 322.405 2.244 20 10 DECDHM C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246560 994454208 /nfs/dbraw/zinc/45/42/08/994454208.db2.gz ACWOFLLISBIKDV-CHNSCGDPSA-N -1 3 311.403 2.042 20 10 DECDHM C[C@H]([NH2+][C@H]1CCCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603659301 1070027361 /nfs/dbraw/zinc/02/73/61/1070027361.db2.gz ZXUAUHDMUXHQFO-UWVGGRQHSA-N -1 3 305.407 2.119 20 10 DECDHM C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603697351 1070049139 /nfs/dbraw/zinc/04/91/39/1070049139.db2.gz YJACPSJDHCWSJZ-WDEREUQCSA-N -1 3 319.409 2.020 20 10 DECDHM Cc1nc(N(C)C)sc1C(=O)NCc1c([O-])cccc1F ZINC001351000534 1151446557 /nfs/dbraw/zinc/44/65/57/1151446557.db2.gz VYUBSPNKEZMDMG-UHFFFAOYSA-N -1 3 309.366 2.292 20 10 DECDHM CC[C@H]([NH2+]CCCCCOC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604057210 1070190705 /nfs/dbraw/zinc/19/07/05/1070190705.db2.gz YMFPGHOOMMPVQS-AWEZNQCLSA-N -1 3 319.409 2.430 20 10 DECDHM CC[C@H]([NH2+]CCC[C@@H](C)CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056592 1070190744 /nfs/dbraw/zinc/19/07/44/1070190744.db2.gz VCQNXUCEMMUBQM-RISCZKNCSA-N -1 3 319.409 2.022 20 10 DECDHM O=C(CSCc1cccnc1)NCc1c([O-])cccc1F ZINC001471975377 1060354371 /nfs/dbraw/zinc/35/43/71/1060354371.db2.gz XMLIBWGTBKHURD-UHFFFAOYSA-N -1 3 306.362 2.476 20 10 DECDHM O=C(c1cccc(O)c1[O-])N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC001628485590 1078298815 /nfs/dbraw/zinc/29/88/15/1078298815.db2.gz OXAXEHMTZDORJT-VXGBXAGGSA-N -1 3 323.414 2.225 20 10 DECDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N)cc2)cc1F ZINC001579607531 1067383281 /nfs/dbraw/zinc/38/32/81/1067383281.db2.gz BVZUGPHHGZOSGQ-UHFFFAOYSA-N -1 3 312.341 2.334 20 10 DECDHM Cc1ccc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)c([O-])c1O ZINC001639395004 1078609887 /nfs/dbraw/zinc/60/98/87/1078609887.db2.gz YJYCZZDVPCWQLP-UHFFFAOYSA-N -1 3 315.251 2.411 20 10 DECDHM O=C(NCc1ccnc(Br)c1)c1cccc(O)c1[O-] ZINC001642840333 1078772797 /nfs/dbraw/zinc/77/27/97/1078772797.db2.gz NLKANWYUJRYLCZ-UHFFFAOYSA-N -1 3 323.146 2.185 20 10 DECDHM COc1cccc([C@H](CNC(=O)c2cccc(O)c2[O-])OC)c1 ZINC001167675785 1078801699 /nfs/dbraw/zinc/80/16/99/1078801699.db2.gz WDMJICJSAOPTAO-HNNXBMFYSA-N -1 3 317.341 2.224 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc2[nH]cnc2c1F ZINC001646035458 1079084923 /nfs/dbraw/zinc/08/49/23/1079084923.db2.gz WHXVDTZDYCEGCW-UHFFFAOYSA-N -1 3 303.268 2.477 20 10 DECDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])c(N)c1[N+](=O)[O-] ZINC001646259516 1074391230 /nfs/dbraw/zinc/39/12/30/1074391230.db2.gz OAIKOOFFGRLEAE-UHFFFAOYSA-N -1 3 303.274 2.149 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](CO)Cc2cccc(F)c21 ZINC001583267725 1076252074 /nfs/dbraw/zinc/25/20/74/1076252074.db2.gz HZXHOYBMUIVBJB-JTQLQIEISA-N -1 3 317.316 2.048 20 10 DECDHM C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589901503 1076526505 /nfs/dbraw/zinc/52/65/05/1076526505.db2.gz POUXEPNGJYFVJN-NWDGAFQWSA-N -1 3 324.388 2.249 20 10 DECDHM C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590203868 1076583384 /nfs/dbraw/zinc/58/33/84/1076583384.db2.gz XEEXSDBEPCTWQQ-GMTAPVOTSA-N -1 3 317.393 2.179 20 10 DECDHM CC[C@H]([NH2+]CCCSC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464800 1076632133 /nfs/dbraw/zinc/63/21/33/1076632133.db2.gz FBRCINFUYORPFK-LBPRGKRZSA-N -1 3 307.423 2.366 20 10 DECDHM CC[C@@H]([NH2+]C1CC(F)(F)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467774 1076634167 /nfs/dbraw/zinc/63/41/67/1076634167.db2.gz UABGDIIJUZIYLH-LLVKDONJSA-N -1 3 309.320 2.411 20 10 DECDHM CC[C@@H]([NH2+]CCc1ccco1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590471020 1076635100 /nfs/dbraw/zinc/63/51/00/1076635100.db2.gz UOQBXZKPXYVDRS-CQSZACIVSA-N -1 3 313.361 2.449 20 10 DECDHM Cc1nccn1CCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607989826 1077573797 /nfs/dbraw/zinc/57/37/97/1077573797.db2.gz XFPJYQNBBCNLDS-LLVKDONJSA-N -1 3 303.362 2.336 20 10 DECDHM Cc1cc([O-])c(CN[C@H](C(N)=O)c2ccccn2)cc1Cl ZINC001652520457 1079881706 /nfs/dbraw/zinc/88/17/06/1079881706.db2.gz ZZLYCDWSNYHLKC-AWEZNQCLSA-N -1 3 305.765 2.065 20 10 DECDHM C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001659497560 1080242703 /nfs/dbraw/zinc/24/27/03/1080242703.db2.gz KFNVUEHNLMOZLL-VIFPVBQESA-N -1 3 300.349 2.405 20 10 DECDHM O=C(N1CCCCO1)[C@]12C[C@H]1CCN2Cc1c([O-])cccc1F ZINC001277492847 1084000841 /nfs/dbraw/zinc/00/08/41/1084000841.db2.gz FFRMBZVTWFEDEJ-PXAZEXFGSA-N -1 3 320.364 2.050 20 10 DECDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@H](CO)C1 ZINC001235301838 1084379059 /nfs/dbraw/zinc/37/90/59/1084379059.db2.gz JKTXDTXQBKECIG-QMMMGPOBSA-N -1 3 304.159 2.108 20 10 DECDHM COC(=O)C(C)(C)NCc1c([O-])cccc1Br ZINC000706799899 1086648917 /nfs/dbraw/zinc/64/89/17/1086648917.db2.gz HXIBYOIWMIXZTP-UHFFFAOYSA-N -1 3 302.168 2.196 20 10 DECDHM [O-]c1cccc(F)c1CN1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001276354297 1089227992 /nfs/dbraw/zinc/22/79/92/1089227992.db2.gz PVKTXOATJGTHNT-UHFFFAOYSA-N -1 3 301.365 2.177 20 10 DECDHM CNC(=O)[C@@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001274149087 1093820720 /nfs/dbraw/zinc/82/07/20/1093820720.db2.gz JGRBLIPXHYBOLI-NSHDSACASA-N -1 3 310.344 2.019 20 10 DECDHM COc1cc([O-])c(CN2CCO[C@H](C)C2)c(Br)c1 ZINC001237066712 1138494811 /nfs/dbraw/zinc/49/48/11/1138494811.db2.gz ZHBDUNCNIZVVNF-SECBINFHSA-N -1 3 316.195 2.384 20 10 DECDHM C[C@H]1C[C@@H]1c1nnc(-c2ccc([O-])c(CN3CCOCC3)c2)o1 ZINC001256774284 1143866715 /nfs/dbraw/zinc/86/67/15/1143866715.db2.gz RHWJIDOYHFMTTG-FZMZJTMJSA-N -1 3 315.373 2.398 20 10 DECDHM C[C@]1(C(=O)NCc2c([O-])cccc2F)COc2ccccc2O1 ZINC001303876153 1147337037 /nfs/dbraw/zinc/33/70/37/1147337037.db2.gz WOGVHHBHHNHGRW-QGZVFWFLSA-N -1 3 317.316 2.378 20 10 DECDHM Cc1cc(CNCc2cc(Br)ccc2[O-])n(C)n1 ZINC000284081057 131046839 /nfs/dbraw/zinc/04/68/39/131046839.db2.gz VAWRADTUQGGNRX-UHFFFAOYSA-N -1 3 310.195 2.486 20 10 DECDHM Cc1noc([C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000286778571 131249848 /nfs/dbraw/zinc/24/98/48/131249848.db2.gz YSDZBBIUOMUKPZ-NSHDSACASA-N -1 3 303.318 2.075 20 10 DECDHM C[C@H](NCc1cnnn1C)c1cc(Br)ccc1[O-] ZINC000287515756 131284385 /nfs/dbraw/zinc/28/43/85/131284385.db2.gz ZKWZGDNNVYEBOP-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM CS(=O)(=O)C[C@H](NCc1ccccc1[O-])c1ccccc1 ZINC000154933971 402238918 /nfs/dbraw/zinc/23/89/18/402238918.db2.gz HSWIBRGTVBXXMY-HNNXBMFYSA-N -1 3 305.399 2.268 20 10 DECDHM Cc1ccc(NCCCNC(=O)c2cccc(O)c2[O-])nc1 ZINC000185792554 402377531 /nfs/dbraw/zinc/37/75/31/402377531.db2.gz PPNXXBMCZOYSQI-UHFFFAOYSA-N -1 3 301.346 2.033 20 10 DECDHM CC(C)(C)CCN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000186995615 402476602 /nfs/dbraw/zinc/47/66/02/402476602.db2.gz LVULYYVPINXRTB-UHFFFAOYSA-N -1 3 306.406 2.292 20 10 DECDHM CCCOc1ccc(CN2CCO[C@]3(CCOC3)C2)c([O-])c1 ZINC000187532738 402503989 /nfs/dbraw/zinc/50/39/89/402503989.db2.gz MKLRMHZQCOBCEN-QGZVFWFLSA-N -1 3 307.390 2.172 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](Cc2ccccc2)C1 ZINC000193153499 402767177 /nfs/dbraw/zinc/76/71/77/402767177.db2.gz AHLWHXBIEMPTGC-CQSZACIVSA-N -1 3 313.353 2.182 20 10 DECDHM COc1c([O-])c(CNCc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000278854901 402878530 /nfs/dbraw/zinc/87/85/30/402878530.db2.gz LJPDOZBCBFAREE-UHFFFAOYSA-N -1 3 307.306 2.204 20 10 DECDHM CCCOc1ccc(CN2CC[S@](=O)C[C@H](C)C2)c([O-])c1 ZINC000277572744 403232499 /nfs/dbraw/zinc/23/24/99/403232499.db2.gz SSNMIXYMOOGBJN-ASSNKEHSSA-N -1 3 311.447 2.381 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293963341 403611261 /nfs/dbraw/zinc/61/12/61/403611261.db2.gz BBNAFIIHHZAYMX-OAHLLOKOSA-N -1 3 303.358 2.129 20 10 DECDHM COCC1(O)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295440532 403926470 /nfs/dbraw/zinc/92/64/70/403926470.db2.gz UMSHUZGTBDBEFA-UHFFFAOYSA-N -1 3 303.761 2.158 20 10 DECDHM COc1cc(OC)cc(N(C)C(=O)/C=C\c2cncc([O-])c2)c1 ZINC000492003398 406805974 /nfs/dbraw/zinc/80/59/74/406805974.db2.gz AFGUCHCXSIKLGC-PLNGDYQASA-N -1 3 314.341 2.481 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000368514624 518286307 /nfs/dbraw/zinc/28/63/07/518286307.db2.gz PMUJNUQUOFXHLC-JKSUJKDBSA-N -1 3 323.364 2.114 20 10 DECDHM Cc1ccc(C(=O)N[C@H](C)CC(=O)c2ccco2)c([O-])c1O ZINC000182604870 526207515 /nfs/dbraw/zinc/20/75/15/526207515.db2.gz OXNLVKLNYFJKGM-SNVBAGLBSA-N -1 3 303.314 2.391 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000246860950 527211881 /nfs/dbraw/zinc/21/18/81/527211881.db2.gz FOSLZQKSWAXSGY-HZPDHXFCSA-N -1 3 323.364 2.114 20 10 DECDHM CCc1nc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000273539526 536153629 /nfs/dbraw/zinc/15/36/29/536153629.db2.gz YADLURKEKVBIHJ-IUCAKERBSA-N -1 3 305.338 2.393 20 10 DECDHM COc1ccc(O)c([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737105507 598756082 /nfs/dbraw/zinc/75/60/82/598756082.db2.gz IGHCQRMBKCAYTD-SECBINFHSA-N -1 3 312.333 2.149 20 10 DECDHM COc1ccc(O)c([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737105507 598756084 /nfs/dbraw/zinc/75/60/84/598756084.db2.gz IGHCQRMBKCAYTD-SECBINFHSA-N -1 3 312.333 2.149 20 10 DECDHM CCN1C(=O)C(C)(C)N[C@@H]1c1cc(Br)ccc1[O-] ZINC000840832856 623959432 /nfs/dbraw/zinc/95/94/32/623959432.db2.gz NYPLOWBZKVRRRU-NSHDSACASA-N -1 3 313.195 2.384 20 10 DECDHM COc1ccc(N2CCC(Nc3cc(=O)[n-]cn3)CC2)cc1 ZINC000892269049 624911775 /nfs/dbraw/zinc/91/17/75/624911775.db2.gz JUGICUKFNSQHSZ-UHFFFAOYSA-N -1 3 300.362 2.272 20 10 DECDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cccc(O)c1[O-] ZINC000187195330 637251095 /nfs/dbraw/zinc/25/10/95/637251095.db2.gz FUGMVLITMMDKKP-MEBBXXQBSA-N -1 3 319.332 2.479 20 10 DECDHM COC[C@H]1C(=O)N[C@H](c2cc(-c3ccccc3)ccc2[O-])N1C ZINC000840830300 650363817 /nfs/dbraw/zinc/36/38/17/650363817.db2.gz CEMPFONKMACBJO-RDJZCZTQSA-N -1 3 312.369 2.134 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C2OCCO2)c1[O-] ZINC000748049482 638502827 /nfs/dbraw/zinc/50/28/27/638502827.db2.gz CTLWTZGCMMAAHA-HNNXBMFYSA-N -1 3 323.364 2.461 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCC(=O)c2cccn21 ZINC000928707595 639487095 /nfs/dbraw/zinc/48/70/95/639487095.db2.gz FWBDAXYRBREICQ-CYBMUJFWSA-N -1 3 302.305 2.167 20 10 DECDHM COc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c([O-])c1 ZINC000763282576 640526280 /nfs/dbraw/zinc/52/62/80/640526280.db2.gz GFUAPHSWJBRWIY-JTQLQIEISA-N -1 3 317.341 2.173 20 10 DECDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)[C@H](C)CN1CCO ZINC000841891202 650594541 /nfs/dbraw/zinc/59/45/41/650594541.db2.gz KIAJBGOJFSYESD-GHMZBOCLSA-N -1 3 316.804 2.072 20 10 DECDHM [O-]c1cccc(Br)c1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898187777 641054012 /nfs/dbraw/zinc/05/40/12/641054012.db2.gz IZYFWVPNGJOYSB-JQWIXIFHSA-N -1 3 304.159 2.059 20 10 DECDHM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(O)c1[O-] ZINC000776315862 642158762 /nfs/dbraw/zinc/15/87/62/642158762.db2.gz DWLJUKZVRLMBOG-UHFFFAOYSA-N -1 3 301.298 2.099 20 10 DECDHM COC(=O)NCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000776658116 642195479 /nfs/dbraw/zinc/19/54/79/642195479.db2.gz UPRCEOKUWKHCAW-UHFFFAOYSA-N -1 3 316.313 2.206 20 10 DECDHM O=C(NCCCOc1ccccc1F)c1cccc(O)c1[O-] ZINC000790485509 643857776 /nfs/dbraw/zinc/85/77/76/643857776.db2.gz NLEMFGQSSVLUHE-UHFFFAOYSA-N -1 3 305.305 2.436 20 10 DECDHM CCNC(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790504181 643860277 /nfs/dbraw/zinc/86/02/77/643860277.db2.gz INIMJAYVGLADCF-UHFFFAOYSA-N -1 3 300.314 2.100 20 10 DECDHM COCCOc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790542255 643865112 /nfs/dbraw/zinc/86/51/12/643865112.db2.gz NSILJLUGGJAQOH-UHFFFAOYSA-N -1 3 317.341 2.053 20 10 DECDHM O=C1NC2(CO1)CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000792174269 644084300 /nfs/dbraw/zinc/08/43/00/644084300.db2.gz POVKKOHRRNBKHM-UHFFFAOYSA-N -1 3 314.744 2.259 20 10 DECDHM C[C@@H](O)CN1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H](C)C1 ZINC000793591041 644276473 /nfs/dbraw/zinc/27/64/73/644276473.db2.gz QMWDDHWHMCZHOV-GHMZBOCLSA-N -1 3 316.804 2.072 20 10 DECDHM CCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCNC1=O ZINC000799738050 645216510 /nfs/dbraw/zinc/21/65/10/645216510.db2.gz SANRJJMYNVSUHS-NSHDSACASA-N -1 3 303.189 2.409 20 10 DECDHM CCc1ccc([C@@H](O)CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000804157219 645733320 /nfs/dbraw/zinc/73/33/20/645733320.db2.gz RNNUYYKKSDYBHJ-HNNXBMFYSA-N -1 3 301.342 2.124 20 10 DECDHM O=S(=O)(CCOCC1CC1)Nc1ccc([O-])c(Cl)c1 ZINC000818047727 647413991 /nfs/dbraw/zinc/41/39/91/647413991.db2.gz JERJMOZFZSMBDS-UHFFFAOYSA-N -1 3 305.783 2.214 20 10 DECDHM CC(=O)c1cc(F)cc(CN[C@H](CCO)C(F)(F)F)c1[O-] ZINC000821318316 648032507 /nfs/dbraw/zinc/03/25/07/648032507.db2.gz WGNRDQQTJBKZAS-LLVKDONJSA-N -1 3 309.259 2.137 20 10 DECDHM CC1(C)[C@H](NC(=O)NCc2c([O-])cccc2F)[C@@H]2CCO[C@@H]21 ZINC000920126563 648209276 /nfs/dbraw/zinc/20/92/76/648209276.db2.gz SWQSXVPFPBSMMB-FZZIBODNSA-N -1 3 308.353 2.144 20 10 DECDHM Cc1cc([O-])c(CN2CCS(=O)(=O)CC[C@@H]2C)cc1Cl ZINC000825699242 648801226 /nfs/dbraw/zinc/80/12/26/648801226.db2.gz SROOUPQXDCBANR-NSHDSACASA-N -1 3 317.838 2.363 20 10 DECDHM CO[C@@]1(CO)CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000826951689 648951887 /nfs/dbraw/zinc/95/18/87/648951887.db2.gz BIPIBXCYTOCIFJ-AWEZNQCLSA-N -1 3 303.761 2.158 20 10 DECDHM CC(C)(C)c1cc2n(n1)CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000834491268 649806569 /nfs/dbraw/zinc/80/65/69/649806569.db2.gz YTHDNFDJFNSHJA-UHFFFAOYSA-N -1 3 315.373 2.248 20 10 DECDHM CCn1nncc1CNCc1c([O-])cccc1Br ZINC000858202581 652276796 /nfs/dbraw/zinc/27/67/96/652276796.db2.gz CSWODUXRFMCYRP-UHFFFAOYSA-N -1 3 311.183 2.056 20 10 DECDHM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928706161 693830234 /nfs/dbraw/zinc/83/02/34/693830234.db2.gz OKRLJQZEXGDILN-MWLCHTKSSA-N -1 3 303.337 2.237 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCN1c1nccs1 ZINC000928707112 693830674 /nfs/dbraw/zinc/83/06/74/693830674.db2.gz ACMQXCRDANDQQG-GFCCVEGCSA-N -1 3 321.377 2.273 20 10 DECDHM COCCNc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000191210244 684422823 /nfs/dbraw/zinc/42/28/23/684422823.db2.gz VXWSEKQPIRWOOU-UHFFFAOYSA-N -1 3 302.330 2.408 20 10 DECDHM C[C@@H]1c2nncn2CCN1Cc1c([O-])cccc1Br ZINC000862342055 686280078 /nfs/dbraw/zinc/28/00/78/686280078.db2.gz LZRLIBGNSZUDQZ-SECBINFHSA-N -1 3 323.194 2.323 20 10 DECDHM COC[C@H](C)n1ccc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC000930992071 694289366 /nfs/dbraw/zinc/28/93/66/694289366.db2.gz LMVUSENUPOMHRK-JTQLQIEISA-N -1 3 322.340 2.257 20 10 DECDHM COC(=O)C[C@@H]1CCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001348232464 1151135186 /nfs/dbraw/zinc/13/51/86/1151135186.db2.gz BHQFEHYHWYTLLS-GXFFZTMASA-N -1 3 324.352 2.062 20 10 DECDHM [O-]c1ccc(F)cc1CN1CCN(c2nccnc2Cl)CC1 ZINC001140058154 776738275 /nfs/dbraw/zinc/73/82/75/776738275.db2.gz TUHWPOHUKMATEY-UHFFFAOYSA-N -1 3 322.771 2.297 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@](C)(O)c1ccccc1 ZINC001144684307 790994869 /nfs/dbraw/zinc/99/48/69/790994869.db2.gz ZHDZNPGJGNZVGE-PIGZYNQJSA-N -1 3 301.342 2.124 20 10 DECDHM CN(C)/C=C/c1ccncc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170320478 786907911 /nfs/dbraw/zinc/90/79/11/786907911.db2.gz CKISITLIVBHUQC-SOFGYWHQSA-N -1 3 313.357 2.320 20 10 DECDHM Cc1c(NC(=O)c2cccc(O)c2[O-])ccc2c1OCCO2 ZINC001148219958 791712556 /nfs/dbraw/zinc/71/25/56/791712556.db2.gz IGXNPZKFQLTFOP-UHFFFAOYSA-N -1 3 301.298 2.430 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCN2CCc3ccccc3[C@@H]2C1 ZINC001148218423 791713297 /nfs/dbraw/zinc/71/32/97/791713297.db2.gz CGWBJLGOUQCACN-INIZCTEOSA-N -1 3 324.380 2.153 20 10 DECDHM Cn1ccc2cc(CNC(=O)c3cc(O)c([O-])c(O)c3)ccc21 ZINC001148580640 791776473 /nfs/dbraw/zinc/77/64/73/791776473.db2.gz JEGNZOYIQGDLPE-UHFFFAOYSA-N -1 3 312.325 2.225 20 10 DECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1ccccc1 ZINC001177249869 794619626 /nfs/dbraw/zinc/61/96/26/794619626.db2.gz FXCVRSMPSQGKID-UKRRQHHQSA-N -1 3 301.342 2.340 20 10 DECDHM COC(=O)[C@H](CNC(=O)c1cccc(O)c1[O-])CC1CCCC1 ZINC001180206694 795257209 /nfs/dbraw/zinc/25/72/09/795257209.db2.gz PEEWJHACQKBZBA-LBPRGKRZSA-N -1 3 321.373 2.197 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001183293351 795846428 /nfs/dbraw/zinc/84/64/28/795846428.db2.gz ZDAURLSMLBTCBY-IAGOWNOFSA-N -1 3 321.323 2.295 20 10 DECDHM COc1c([O-])c(CNCc2cc(C)ccn2)ccc1[N+](=O)[O-] ZINC001183597373 795901391 /nfs/dbraw/zinc/90/13/91/795901391.db2.gz LQDODOVYDVENLK-UHFFFAOYSA-N -1 3 303.318 2.302 20 10 DECDHM O=C(C1CCC1)N1CCCN(Cc2c([O-])cccc2F)CC1 ZINC001137837648 796144263 /nfs/dbraw/zinc/14/42/63/796144263.db2.gz PPJPVZSPTLTBTO-UHFFFAOYSA-N -1 3 306.381 2.366 20 10 DECDHM O=C(N[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1)C1CCC1 ZINC001138130778 796167623 /nfs/dbraw/zinc/16/76/23/796167623.db2.gz HWHKVDHZDNRBLC-CQSZACIVSA-N -1 3 306.381 2.412 20 10 DECDHM CCCN1CCN(Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139129338 796328848 /nfs/dbraw/zinc/32/88/48/796328848.db2.gz WMRVNQIOSMQUAP-UHFFFAOYSA-N -1 3 316.401 2.335 20 10 DECDHM O=C1NCCC2(CCN(Cc3c([O-])cc(F)cc3F)CC2)O1 ZINC001140584589 796541767 /nfs/dbraw/zinc/54/17/67/796541767.db2.gz XUJPCPCMLHTRLC-UHFFFAOYSA-N -1 3 312.316 2.135 20 10 DECDHM O=C(C1CCC1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664152 796544745 /nfs/dbraw/zinc/54/47/45/796544745.db2.gz OSUNBXGGJLAXJH-UHFFFAOYSA-N -1 3 308.809 2.490 20 10 DECDHM O=C(Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O)NC1CC1 ZINC001191482201 797205571 /nfs/dbraw/zinc/20/55/71/797205571.db2.gz DSVLWUSOCIIAEA-UHFFFAOYSA-N -1 3 322.320 2.452 20 10 DECDHM Cc1nc(CN2CCN(Cc3ccc(Cl)cc3[O-])CC2)no1 ZINC001204866364 800268450 /nfs/dbraw/zinc/26/84/50/800268450.db2.gz MENDNUNOBYTSNG-UHFFFAOYSA-N -1 3 322.796 2.055 20 10 DECDHM O=C(CNCc1cc(F)cc(F)c1[O-])N1CCc2ccccc21 ZINC001207381949 800740704 /nfs/dbraw/zinc/74/07/04/800740704.db2.gz OLVCYXAOMRPXQU-UHFFFAOYSA-N -1 3 318.323 2.349 20 10 DECDHM O=C([O-])c1ccc(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c1 ZINC001231448812 801667207 /nfs/dbraw/zinc/66/72/07/801667207.db2.gz QBUVHKYFNMTYKK-UHFFFAOYSA-N -1 3 312.369 2.413 20 10 DECDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c1 ZINC001231566048 801688299 /nfs/dbraw/zinc/68/82/99/801688299.db2.gz OLRHTWIQFGHBLG-CYBMUJFWSA-N -1 3 305.374 2.339 20 10 DECDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H](COCC3CC3)C2)c1 ZINC001231566048 801688303 /nfs/dbraw/zinc/68/83/03/801688303.db2.gz OLRHTWIQFGHBLG-CYBMUJFWSA-N -1 3 305.374 2.339 20 10 DECDHM CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc(Cl)c([O-])cc1O ZINC001232257736 801831005 /nfs/dbraw/zinc/83/10/05/801831005.db2.gz IRJPBUFHLSRJQX-BMIGLBTASA-N -1 3 311.765 2.279 20 10 DECDHM CCC(=O)N1CCN(Cc2cc(Cl)c(OC)cc2[O-])CC1 ZINC001232264376 801832983 /nfs/dbraw/zinc/83/29/83/801832983.db2.gz GPVMNKWEUAJPOZ-UHFFFAOYSA-N -1 3 312.797 2.108 20 10 DECDHM CCN1CC(Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937161 803297148 /nfs/dbraw/zinc/29/71/48/803297148.db2.gz DDBQCLZFDSHXIM-UHFFFAOYSA-N -1 3 313.353 2.412 20 10 DECDHM CN1CC[C@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937569 803297411 /nfs/dbraw/zinc/29/74/11/803297411.db2.gz MKVZEEBKPBPBED-ZDUSSCGKSA-N -1 3 313.353 2.412 20 10 DECDHM C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593353209 994975574 /nfs/dbraw/zinc/97/55/74/994975574.db2.gz PZOHLEJATHHBIM-SWLSCSKDSA-N -1 3 315.369 2.345 20 10 DECDHM COc1ccc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC001599556388 998098962 /nfs/dbraw/zinc/09/89/62/998098962.db2.gz GWRDBTAMTIJQFN-LLVKDONJSA-N -1 3 316.357 2.387 20 10 DECDHM CC[C@@H]([NH2+]CCCCCCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604057040 1070191408 /nfs/dbraw/zinc/19/14/08/1070191408.db2.gz XXYMRVWPAFNBSQ-CQSZACIVSA-N -1 3 319.409 2.166 20 10 DECDHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1O ZINC001605439760 1070711676 /nfs/dbraw/zinc/71/16/76/1070711676.db2.gz YMAYNJDIEMUQLN-JTQLQIEISA-N -1 3 324.344 2.455 20 10 DECDHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1O ZINC001605439760 1070711686 /nfs/dbraw/zinc/71/16/86/1070711686.db2.gz YMAYNJDIEMUQLN-JTQLQIEISA-N -1 3 324.344 2.455 20 10 DECDHM O=C1C[C@@H](Oc2ccc(NCc3cccc(F)c3[O-])cc2)N1 ZINC001621334463 1071176743 /nfs/dbraw/zinc/17/67/43/1071176743.db2.gz NQHVPZJQGVOCNG-OAHLLOKOSA-N -1 3 302.305 2.368 20 10 DECDHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1cc(Cl)ccc1O ZINC001328840184 1148840510 /nfs/dbraw/zinc/84/05/10/1148840510.db2.gz JSSWBODREAYBLO-UHFFFAOYSA-N -1 3 321.764 2.099 20 10 DECDHM CN(C)Cc1csc(CNCc2cc(F)c(F)cc2[O-])n1 ZINC001474711267 1060924095 /nfs/dbraw/zinc/92/40/95/1060924095.db2.gz PGYBEYDOSDAVRY-UHFFFAOYSA-N -1 3 313.373 2.478 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1cnn(C(F)F)c1 ZINC001623357497 1078201529 /nfs/dbraw/zinc/20/15/29/1078201529.db2.gz YKHJPASTZWGLLK-UHFFFAOYSA-N -1 3 300.240 2.445 20 10 DECDHM O=C(Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cccc(O)c1[O-] ZINC001642885540 1078776237 /nfs/dbraw/zinc/77/62/37/1078776237.db2.gz NJJSGWGDJMHJSI-ZDUSSCGKSA-N -1 3 312.325 2.301 20 10 DECDHM O=C(Nc1cccc([C@H]2CCC(=O)N2)c1)c1cccc(O)c1[O-] ZINC001642885539 1078776383 /nfs/dbraw/zinc/77/63/83/1078776383.db2.gz NJJSGWGDJMHJSI-CYBMUJFWSA-N -1 3 312.325 2.301 20 10 DECDHM O=C(Nc1cccc2c1OCC[C@H]2O)c1cccc(O)c1[O-] ZINC001556126946 1075019943 /nfs/dbraw/zinc/01/99/43/1075019943.db2.gz GGRFXQNKNLLWFK-GFCCVEGCSA-N -1 3 301.298 2.166 20 10 DECDHM O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1c([O-])cccc1F ZINC001558454197 1075094958 /nfs/dbraw/zinc/09/49/58/1075094958.db2.gz BBCNWIMPPJHVKA-AWEZNQCLSA-N -1 3 314.316 2.022 20 10 DECDHM COC1(OC)CCOC[C@@H]1NCc1cc(Cl)cc(F)c1[O-] ZINC001560574539 1075142167 /nfs/dbraw/zinc/14/21/67/1075142167.db2.gz VAPAATLAEYJBAY-LBPRGKRZSA-N -1 3 319.760 2.052 20 10 DECDHM CC[C@H]([NH2+]CC(C)(C)OC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462851 1076631417 /nfs/dbraw/zinc/63/14/17/1076631417.db2.gz GANVBQNKQZPJGV-LBPRGKRZSA-N -1 3 305.382 2.038 20 10 DECDHM CCOCC(C)(C)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590799697 1076679153 /nfs/dbraw/zinc/67/91/53/1076679153.db2.gz PNHZVIJHJANKHR-NSHDSACASA-N -1 3 319.409 2.286 20 10 DECDHM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC001591032389 1076704275 /nfs/dbraw/zinc/70/42/75/1076704275.db2.gz JXTMVIGZAJRWQZ-UHFFFAOYSA-N -1 3 313.340 2.079 20 10 DECDHM CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1F ZINC001591032389 1076704278 /nfs/dbraw/zinc/70/42/78/1076704278.db2.gz JXTMVIGZAJRWQZ-UHFFFAOYSA-N -1 3 313.340 2.079 20 10 DECDHM Cc1ccc(CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])o1 ZINC001592152222 1076859581 /nfs/dbraw/zinc/85/95/81/1076859581.db2.gz RRXBXMGOPIYTBD-NSHDSACASA-N -1 3 313.361 2.367 20 10 DECDHM C[C@H]([NH2+]CCOc1cccnc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778582 1077921340 /nfs/dbraw/zinc/92/13/40/1077921340.db2.gz ISGSXHXQWQJEDS-NSHDSACASA-N -1 3 302.330 2.215 20 10 DECDHM COCc1nnc2n1CCN(Cc1c([O-])cc(C)cc1Cl)C2 ZINC001652779612 1079898240 /nfs/dbraw/zinc/89/82/40/1079898240.db2.gz UFCMXQDNDMIZDK-UHFFFAOYSA-N -1 3 322.796 2.108 20 10 DECDHM NC(=O)[C@H](F)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001665576332 1081042074 /nfs/dbraw/zinc/04/20/74/1081042074.db2.gz DSCDIDMHSMPOJA-GFCCVEGCSA-N -1 3 318.751 2.220 20 10 DECDHM CCn1cc(CNCc2c([O-])cccc2Br)nn1 ZINC000706825427 1086652121 /nfs/dbraw/zinc/65/21/21/1086652121.db2.gz XOWSXIHRZAFZDC-UHFFFAOYSA-N -1 3 311.183 2.056 20 10 DECDHM CCNC(=O)CN(CC)Cc1c([O-])cccc1Br ZINC000707152555 1086662388 /nfs/dbraw/zinc/66/23/88/1086662388.db2.gz PPSGNNAEIQUZTL-UHFFFAOYSA-N -1 3 315.211 2.113 20 10 DECDHM COc1ccc(CN2CCC[C@H](n3cncn3)C2)c([O-])c1Cl ZINC001236805604 1138434193 /nfs/dbraw/zinc/43/41/93/1138434193.db2.gz ASSDWJJXMQYVLX-LBPRGKRZSA-N -1 3 322.796 2.483 20 10 DECDHM COc1cc([O-])c(CN2CCN[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC001236995620 1138477458 /nfs/dbraw/zinc/47/74/58/1138477458.db2.gz KBACGEMDKUNJPV-GFCCVEGCSA-N -1 3 324.730 2.390 20 10 DECDHM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc2c(c1)CCO2 ZINC001259356149 1144090071 /nfs/dbraw/zinc/09/00/71/1144090071.db2.gz NVYVVQYPIUWZLK-UHFFFAOYSA-N -1 3 309.318 2.267 20 10 DECDHM CN(C)c1cccc(CNCc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC001308337977 1147466517 /nfs/dbraw/zinc/46/65/17/1147466517.db2.gz QIKQXGHIUWHGMO-UHFFFAOYSA-N -1 3 302.334 2.051 20 10 DECDHM Cc1cc(S(=O)(=O)NCc2c([O-])cccc2F)ccc1F ZINC001309878155 1147508692 /nfs/dbraw/zinc/50/86/92/1147508692.db2.gz 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ZINC001232265841 781983251 /nfs/dbraw/zinc/98/32/51/781983251.db2.gz GEALJLPUNNFYSV-UONOGXRCSA-N -1 3 303.761 2.349 20 10 DECDHM Cc1ccc(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)c([O-])c1O ZINC000272665769 130051518 /nfs/dbraw/zinc/05/15/18/130051518.db2.gz OAHGYEWSDVHUQC-ZDUSSCGKSA-N -1 3 314.341 2.314 20 10 DECDHM COc1cc(Cl)cc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c1[O-] ZINC000273706815 130157097 /nfs/dbraw/zinc/15/70/97/130157097.db2.gz FKTHWRQBMIANPT-VUPYVKPUSA-N -1 3 317.838 2.396 20 10 DECDHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)c([O-])c1O ZINC000275503526 130327073 /nfs/dbraw/zinc/32/70/73/130327073.db2.gz WCXVUBBMEPGYKT-XJKSGUPXSA-N -1 3 314.341 2.061 20 10 DECDHM CN(Cc1c([O-])ccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014285132 401811344 /nfs/dbraw/zinc/81/13/44/401811344.db2.gz RQFAYLLIVCIOCF-ZDUSSCGKSA-N -1 3 305.399 2.164 20 10 DECDHM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(O)c1[O-] ZINC000193147717 402767571 /nfs/dbraw/zinc/76/75/71/402767571.db2.gz WNCJRZNTMRYGLU-DFBGVHRSSA-N -1 3 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ZINC000775203047 642016053 /nfs/dbraw/zinc/01/60/53/642016053.db2.gz AKGVWBFHNVQAAU-UHFFFAOYSA-N -1 3 303.761 2.158 20 10 DECDHM COc1ccccc1O[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000776347377 642160790 /nfs/dbraw/zinc/16/07/90/642160790.db2.gz CKFUEUYZLQPSEU-NSHDSACASA-N -1 3 317.341 2.304 20 10 DECDHM O=C(NCc1cc(=O)[nH]c2ccccc12)c1cccc(O)c1[O-] ZINC000776349192 642160979 /nfs/dbraw/zinc/16/09/79/642160979.db2.gz AWPKWQQSRVRFBJ-UHFFFAOYSA-N -1 3 310.309 2.282 20 10 DECDHM C[C@H](NCc1cccc(Br)c1[O-])c1nncn1C ZINC000042412005 642582792 /nfs/dbraw/zinc/58/27/92/642582792.db2.gz QBJVOJJBMCGVQK-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc3c2oc(=O)n3C)c([O-])c1O ZINC000780994792 642700487 /nfs/dbraw/zinc/70/04/87/642700487.db2.gz GRXVBTMGFUZHRH-UHFFFAOYSA-N -1 3 314.297 2.103 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(OCCO)c(C)c2)c([O-])c1O ZINC000782847236 642929173 /nfs/dbraw/zinc/92/91/73/642929173.db2.gz YIMBVOPEZZCJAI-UHFFFAOYSA-N -1 3 317.341 2.338 20 10 DECDHM O=C(NCCc1ccc(O)c(O)c1)c1cc([O-])ccc1Cl ZINC000788307668 643593699 /nfs/dbraw/zinc/59/36/99/643593699.db2.gz LEHZFHIFYFKXSZ-UHFFFAOYSA-N -1 3 307.733 2.429 20 10 DECDHM CC(=O)c1cc(F)cc(CN(C)Cc2cnn(C)c2C)c1[O-] ZINC000790445460 643853660 /nfs/dbraw/zinc/85/36/60/643853660.db2.gz SWQNRLODVQLDJV-UHFFFAOYSA-N -1 3 305.353 2.408 20 10 DECDHM CN(C(=O)c1cccc(O)c1[O-])[C@H](CCO)c1ccccc1 ZINC000790910753 643908616 /nfs/dbraw/zinc/90/86/16/643908616.db2.gz AUOLHTWNQYFIKK-CQSZACIVSA-N -1 3 301.342 2.294 20 10 DECDHM CC(C)N1C[C@@H](NCc2c([O-])ccc(Cl)c2F)CC1=O ZINC000790967238 643915167 /nfs/dbraw/zinc/91/51/67/643915167.db2.gz LOYPYNPUIPERDH-VIFPVBQESA-N -1 3 300.761 2.284 20 10 DECDHM C[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(N(C)C)cc1 ZINC000792179464 644084881 /nfs/dbraw/zinc/08/48/81/644084881.db2.gz PVTLJMLBBXCZLG-GFCCVEGCSA-N -1 3 314.389 2.414 20 10 DECDHM CNC(=O)[C@H](CCSC)NCc1c([O-])ccc(Cl)c1F ZINC000808436985 646084760 /nfs/dbraw/zinc/08/47/60/646084760.db2.gz HMBIUVAHNSTHIY-JTQLQIEISA-N -1 3 320.817 2.142 20 10 DECDHM CN(Cc1ccc2ccccc2c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000816480650 647139364 /nfs/dbraw/zinc/13/93/64/647139364.db2.gz SOSXXQBUPVHJJU-CQSZACIVSA-N -1 3 305.399 2.164 20 10 DECDHM CC(=O)NC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816498717 647142861 /nfs/dbraw/zinc/14/28/61/647142861.db2.gz INFBOSBRIJFFGP-UHFFFAOYSA-N -1 3 300.761 2.285 20 10 DECDHM Cc1cc([O-])c(CN(C)[C@H](C)CS(C)(=O)=O)cc1Cl ZINC000824809687 648655479 /nfs/dbraw/zinc/65/54/79/648655479.db2.gz YRNWPJLUGUHIIN-SNVBAGLBSA-N -1 3 305.827 2.219 20 10 DECDHM Cc1nc2n(n1)CCN(Cc1ccc(Br)cc1[O-])C2 ZINC000824819492 648657658 /nfs/dbraw/zinc/65/76/58/648657658.db2.gz ONGVGPGACQBNCI-UHFFFAOYSA-N -1 3 323.194 2.070 20 10 DECDHM COC(=O)[C@@H](C)N(C)Cc1ccc(Br)cc1[O-] ZINC000825745092 648808295 /nfs/dbraw/zinc/80/82/95/648808295.db2.gz VXBCNMPIJGRMDY-MRVPVSSYSA-N -1 3 302.168 2.148 20 10 DECDHM O=C1OCCN1[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000827000761 648959073 /nfs/dbraw/zinc/95/90/73/648959073.db2.gz 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnncc1[O-] ZINC001335744333 1150518057 /nfs/dbraw/zinc/51/80/57/1150518057.db2.gz XTLOOYDQDMYHRX-UHFFFAOYSA-N -1 3 314.389 2.299 20 10 DECDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@@]2(CCCOC2)O1 ZINC001350320538 1151344263 /nfs/dbraw/zinc/34/42/63/1151344263.db2.gz ZXVBVXNEGDCUMR-BDJLRTHQSA-N -1 3 313.344 2.440 20 10 DECDHM COc1nc(NC(=O)c2cccc(O)c2[O-])cc2cccnc21 ZINC001148212974 791710064 /nfs/dbraw/zinc/71/00/64/791710064.db2.gz SSTOUIUSCNIDGM-UHFFFAOYSA-N -1 3 311.297 2.302 20 10 DECDHM O=C(NC[C@H](O)c1cc2ccccc2o1)c1cccc(O)c1[O-] ZINC001148225560 791715942 /nfs/dbraw/zinc/71/59/42/791715942.db2.gz PLNCFEOIQVZWTH-ZDUSSCGKSA-N -1 3 313.309 2.307 20 10 DECDHM O=C(Nc1cc(-c2ccncc2)no1)c1cc(O)c([O-])c(O)c1 ZINC001148582097 791777256 /nfs/dbraw/zinc/77/72/56/791777256.db2.gz WXIAYIVYDSUCSU-UHFFFAOYSA-N -1 3 313.269 2.106 20 10 DECDHM O=C(Nc1cccc(-c2nnco2)c1)c1cc(O)c([O-])c(O)c1 ZINC001148588127 791778183 /nfs/dbraw/zinc/77/81/83/791778183.db2.gz OYNDZLFMIYKSMU-UHFFFAOYSA-N -1 3 313.269 2.106 20 10 DECDHM O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1cccc(O)c1[O-] ZINC001176958198 794542261 /nfs/dbraw/zinc/54/22/61/794542261.db2.gz KRHVXBLXTVRYKQ-LBPRGKRZSA-N -1 3 321.760 2.085 20 10 DECDHM COC(=O)c1cc(C(=O)NCc2c([O-])cccc2F)c(C)o1 ZINC001178412655 794921613 /nfs/dbraw/zinc/92/16/13/794921613.db2.gz CTTWMQLZURARSL-UHFFFAOYSA-N -1 3 307.277 2.149 20 10 DECDHM CN(c1nnc(-c2sc3ncccc3c2[O-])n1C)C1CC1 ZINC001121460406 795633612 /nfs/dbraw/zinc/63/36/12/795633612.db2.gz HWHWOYMKIAJKJN-UHFFFAOYSA-N -1 3 301.375 2.396 20 10 DECDHM CC[C@H](CO)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001183169737 795813495 /nfs/dbraw/zinc/81/34/95/795813495.db2.gz KCMIBYQUGVUGGR-SECBINFHSA-N -1 3 308.765 2.229 20 10 DECDHM C[S@@](=O)Cc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001138116307 796166609 /nfs/dbraw/zinc/16/66/09/796166609.db2.gz QYNADUSHUFKUJD-OAQYLSRUSA-N -1 3 305.355 2.229 20 10 DECDHM COc1cccnc1N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138129498 796168112 /nfs/dbraw/zinc/16/81/12/796168112.db2.gz HOQOIDDTZNRMGX-UHFFFAOYSA-N -1 3 317.364 2.257 20 10 DECDHM COCCCCN1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585982 796541738 /nfs/dbraw/zinc/54/17/38/796541738.db2.gz YJPPUFJOBBROCQ-UHFFFAOYSA-N -1 3 314.376 2.215 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC001142508492 796746671 /nfs/dbraw/zinc/74/66/71/796746671.db2.gz APFWOEAPCJCRLB-LBPRGKRZSA-N -1 3 311.250 2.417 20 10 DECDHM Cc1nccnc1O[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531438 796748430 /nfs/dbraw/zinc/74/84/30/796748430.db2.gz XMFMZGHIELHALP-GFCCVEGCSA-N -1 3 321.327 2.422 20 10 DECDHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCc2cccc(O)c2C1 ZINC001154209025 797484872 /nfs/dbraw/zinc/48/48/72/797484872.db2.gz UAEABOSHNIIHFW-UHFFFAOYSA-N -1 3 309.325 2.173 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccn(-c2ccncc2)n1 ZINC001156171253 797938413 /nfs/dbraw/zinc/93/84/13/797938413.db2.gz YUJAQBINXSMPKM-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM COc1ccc(NC(=S)NCc2ncccc2[O-])cc1OC ZINC001201068889 798707609 /nfs/dbraw/zinc/70/76/09/798707609.db2.gz MAGJMXCVKJHZIR-UHFFFAOYSA-N -1 3 319.386 2.291 20 10 DECDHM COC(=O)CC[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC001203665518 800101978 /nfs/dbraw/zinc/10/19/78/800101978.db2.gz NOHGQJVPQVPHNS-ZDUSSCGKSA-N -1 3 313.781 2.200 20 10 DECDHM CC(C)OCCN1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001204690334 800246973 /nfs/dbraw/zinc/24/69/73/800246973.db2.gz OZEUTDKEMCHIIO-UHFFFAOYSA-N -1 3 314.376 2.213 20 10 DECDHM CC(C)[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCN(C)CC1 ZINC001231568946 801688052 /nfs/dbraw/zinc/68/80/52/801688052.db2.gz SFZUATYJVAKHAQ-UHFFFAOYSA-N -1 3 306.406 2.395 20 10 DECDHM CC(C)[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCN(C)CC1 ZINC001231568946 801688057 /nfs/dbraw/zinc/68/80/57/801688057.db2.gz SFZUATYJVAKHAQ-UHFFFAOYSA-N -1 3 306.406 2.395 20 10 DECDHM CCOC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232268481 801832416 /nfs/dbraw/zinc/83/24/16/801832416.db2.gz PLMMGUCFMOPRHY-UHFFFAOYSA-N -1 3 314.769 2.025 20 10 DECDHM [O-]c1c(O)cc(-c2nc(-c3cccc4ccnn43)no2)cc1O ZINC001215328473 801837210 /nfs/dbraw/zinc/83/72/10/801837210.db2.gz GXVVRCVFEOUEGZ-UHFFFAOYSA-N -1 3 310.269 2.168 20 10 DECDHM [O-]c1c(CN2CC[C@H](Oc3cnccn3)C2)ccc(F)c1F ZINC001233080225 802022373 /nfs/dbraw/zinc/02/23/73/802022373.db2.gz SSBZACSMMQYUDG-NSHDSACASA-N -1 3 307.300 2.114 20 10 DECDHM C[C@@H]([NH2+]CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1[O-] ZINC001599841328 988838738 /nfs/dbraw/zinc/83/87/38/988838738.db2.gz ZLINXKIXKJAOEJ-LLVKDONJSA-N -1 3 314.341 2.380 20 10 DECDHM C[C@@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccncc1 ZINC001603551788 1069986618 /nfs/dbraw/zinc/98/66/18/1069986618.db2.gz GGXWVCHBZXVJJV-NWDGAFQWSA-N -1 3 324.388 2.422 20 10 DECDHM CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056492 1070190832 /nfs/dbraw/zinc/19/08/32/1070190832.db2.gz ULWQBYFWZHOBCB-GYSYKLTISA-N -1 3 317.393 2.181 20 10 DECDHM C[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604332148 1070332545 /nfs/dbraw/zinc/33/25/45/1070332545.db2.gz IDVWYCUKXDOQPR-XHDPSFHLSA-N -1 3 300.358 2.441 20 10 DECDHM COC1CCC([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001605029653 1070583678 /nfs/dbraw/zinc/58/36/78/1070583678.db2.gz MHTXVVVTNXELQD-VOMCLLRMSA-N -1 3 317.393 2.181 20 10 DECDHM COc1ccc(F)cc1CCNC(=O)c1cccc(O)c1[O-] ZINC001455793220 1057774536 /nfs/dbraw/zinc/77/45/36/1057774536.db2.gz OVMQXHWPBBJQPH-UHFFFAOYSA-N -1 3 305.305 2.218 20 10 DECDHM O=C(NCc1c[nH]c(=O)c2ccccc12)c1cccc(O)c1[O-] ZINC001455909622 1057791261 /nfs/dbraw/zinc/79/12/61/1057791261.db2.gz UAXPHLFKOCBNAB-UHFFFAOYSA-N -1 3 310.309 2.282 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1nc2cnccc2s1 ZINC001456029357 1057807798 /nfs/dbraw/zinc/80/77/98/1057807798.db2.gz MRUSZYZPVMBPRR-UHFFFAOYSA-N -1 3 303.318 2.466 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccnc(OC(F)F)c1 ZINC001456031532 1057808265 /nfs/dbraw/zinc/80/82/65/1057808265.db2.gz YASKMLGPLFNGET-UHFFFAOYSA-N -1 3 312.247 2.458 20 10 DECDHM COc1cccc2c(C(=O)NCc3c([O-])cccc3F)cnn21 ZINC001456026938 1057808382 /nfs/dbraw/zinc/80/83/82/1057808382.db2.gz CHJFTWSHANMFNP-UHFFFAOYSA-N -1 3 315.304 2.118 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC001621135837 1078170235 /nfs/dbraw/zinc/17/02/35/1078170235.db2.gz YWKWOKOTKCQMNK-GXTWGEPZSA-N -1 3 301.358 2.377 20 10 DECDHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc(N)cc2)c1 ZINC001579822459 1067431509 /nfs/dbraw/zinc/43/15/09/1067431509.db2.gz YANHOIMKYUGMPY-UHFFFAOYSA-N -1 3 311.794 2.104 20 10 DECDHM CCC(=O)NC1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC001644510550 1078849097 /nfs/dbraw/zinc/84/90/97/1078849097.db2.gz DQJSLVJSUPLMQS-UHFFFAOYSA-N -1 3 322.380 2.225 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cc(C(F)(F)F)ncn1 ZINC001645050288 1078873701 /nfs/dbraw/zinc/87/37/01/1078873701.db2.gz GBGLMTJSEQRUDA-UHFFFAOYSA-N -1 3 315.226 2.270 20 10 DECDHM CO[C@@H](Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001645047890 1078873809 /nfs/dbraw/zinc/87/38/09/1078873809.db2.gz BVYKYYIUYLTVET-INIZCTEOSA-N -1 3 303.333 2.405 20 10 DECDHM O=C(N[C@H](CCO)c1ccccc1F)c1cccc(O)c1[O-] ZINC001557175590 1075057905 /nfs/dbraw/zinc/05/79/05/1075057905.db2.gz OPNPXKUSVFZFKV-CYBMUJFWSA-N -1 3 305.305 2.090 20 10 DECDHM COc1ncc(NCc2ccc(Cl)cc2[O-])cc1C(N)=O ZINC001560704329 1075144486 /nfs/dbraw/zinc/14/44/86/1075144486.db2.gz DPVHEOONWXGQDJ-UHFFFAOYSA-N -1 3 307.737 2.160 20 10 DECDHM CC[C@@H]([NH2+][C@@H](C)CSC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590461346 1076630745 /nfs/dbraw/zinc/63/07/45/1076630745.db2.gz BEYCZQQLOOLVFX-JOYOIKCWSA-N -1 3 307.423 2.365 20 10 DECDHM CC[C@H]([NH2+]C[C@H](OC)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462462 1076631536 /nfs/dbraw/zinc/63/15/36/1076631536.db2.gz CQKUVAIOZJBCSB-KBPBESRZSA-N -1 3 317.393 2.038 20 10 DECDHM CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462885 1076631716 /nfs/dbraw/zinc/63/17/16/1076631716.db2.gz GGVJAJIDWNWPNV-SMDDNHRTSA-N -1 3 319.409 2.020 20 10 DECDHM CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464897 1076633043 /nfs/dbraw/zinc/63/30/43/1076633043.db2.gz RCXLMTUNNOAHGC-SUNKGSAMSA-N -1 3 319.409 2.020 20 10 DECDHM Cc1cc(Br)cc(CN2CC(C)(C(=O)[O-])C2)c1O ZINC001610433639 1078019326 /nfs/dbraw/zinc/01/93/26/1078019326.db2.gz YXVDPXYGEWDQNL-UHFFFAOYSA-N -1 3 314.179 2.370 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001651795637 1079834022 /nfs/dbraw/zinc/83/40/22/1079834022.db2.gz BIYLJCKPWFGSKE-VIFPVBQESA-N -1 3 302.286 2.497 20 10 DECDHM [O-]c1cc(F)c(F)cc1CNc1cccc(-n2cnnn2)c1 ZINC001658578150 1080211748 /nfs/dbraw/zinc/21/17/48/1080211748.db2.gz VXHKHMCMTISMIE-UHFFFAOYSA-N -1 3 303.272 2.258 20 10 DECDHM [O-]c1cc(Cl)ccc1C[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC001659541628 1080243421 /nfs/dbraw/zinc/24/34/21/1080243421.db2.gz AVEBYIFPXLLWOJ-LBPRGKRZSA-N -1 3 308.769 2.305 20 10 DECDHM COC(=O)[C@@H](C)N(C)Cc1cc(Br)c(C)cc1[O-] ZINC001237678717 1080473345 /nfs/dbraw/zinc/47/33/45/1080473345.db2.gz LIXNDUQRVAJFMH-SECBINFHSA-N -1 3 316.195 2.456 20 10 DECDHM [O-]c1c(Br)cc(F)cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC001235294105 1084375416 /nfs/dbraw/zinc/37/54/16/1084375416.db2.gz NFXRVTJQKBJZEB-AOOOYVTPSA-N -1 3 316.170 2.372 20 10 DECDHM O=C(N[C@@H]1CCCN(Cc2c([O-])cccc2F)C1)C1CCC1 ZINC001137841523 1086721638 /nfs/dbraw/zinc/72/16/38/1086721638.db2.gz IJFNBTOKDLYXIY-CYBMUJFWSA-N -1 3 306.381 2.412 20 10 DECDHM COc1ccc(CN2CCc3nccn3CC2)c([O-])c1Cl ZINC001236808382 1138435036 /nfs/dbraw/zinc/43/50/36/1138435036.db2.gz XWOGBVDDWIWBSE-UHFFFAOYSA-N -1 3 307.781 2.309 20 10 DECDHM CCOC(=O)[C@H]1COCCN1Cc1cc2ccccc2cc1[O-] ZINC001236836539 1138441582 /nfs/dbraw/zinc/44/15/82/1138441582.db2.gz KIGSOBRUEPYYLI-MRXNPFEDSA-N -1 3 315.369 2.309 20 10 DECDHM COc1cc([O-])c(CN2C[C@@H]3C[C@H]2CO3)c(Br)c1 ZINC001237073023 1138498704 /nfs/dbraw/zinc/49/87/04/1138498704.db2.gz NGQVXBUAEKKLJA-WPRPVWTQSA-N -1 3 314.179 2.136 20 10 DECDHM CN(C1CN(Cc2cc(Cl)cc(F)c2[O-])C1)[C@H]1CCOC1 ZINC001237622599 1138720122 /nfs/dbraw/zinc/72/01/22/1138720122.db2.gz UZCWTNJYIXEMQL-LBPRGKRZSA-N -1 3 314.788 2.090 20 10 DECDHM CNC(=O)N[C@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237940900 1138811803 /nfs/dbraw/zinc/81/18/03/1138811803.db2.gz PABCGGWHDSLPGP-JTQLQIEISA-N -1 3 315.776 2.078 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC001262023901 1144286278 /nfs/dbraw/zinc/28/62/78/1144286278.db2.gz KISCZGGZTBJDIF-ZBFHGGJFSA-N -1 3 313.353 2.436 20 10 DECDHM CNC(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000194805418 529842393 /nfs/dbraw/zinc/84/23/93/529842393.db2.gz RDLLHFMYMGWIIV-UHFFFAOYSA-N -1 3 324.808 2.206 20 10 DECDHM CCCCN(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055157361 402076628 /nfs/dbraw/zinc/07/66/28/402076628.db2.gz JWFVYUZUOKZYRK-UHFFFAOYSA-N -1 3 314.407 2.026 20 10 DECDHM COc1cc(Cl)cc(CN2CCC[C@H]2C(=O)NC2CC2)c1[O-] ZINC000184680541 402291564 /nfs/dbraw/zinc/29/15/64/402291564.db2.gz SIYMKOKIVAKYSQ-ZDUSSCGKSA-N -1 3 324.808 2.297 20 10 DECDHM CCCN(CC(=O)N(C)C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184683190 402291627 /nfs/dbraw/zinc/29/16/27/402291627.db2.gz DMEPZUPSQBANRA-UHFFFAOYSA-N -1 3 314.813 2.354 20 10 DECDHM COC(=O)[C@@]1(C)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000177420911 402400153 /nfs/dbraw/zinc/40/01/53/402400153.db2.gz NAIRHHYJMJWRFT-INIZCTEOSA-N -1 3 309.337 2.119 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc(-c3nncn3C)c2)c([O-])c1O ZINC000177671035 402424989 /nfs/dbraw/zinc/42/49/89/402424989.db2.gz AXHSNQCUFAYNDT-UHFFFAOYSA-N -1 3 324.340 2.454 20 10 DECDHM Cn1cnnc1-c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000186905630 402470539 /nfs/dbraw/zinc/47/05/39/402470539.db2.gz NMEQRBOGHTVOHU-UHFFFAOYSA-N -1 3 310.313 2.146 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@@H]1c1ncon1 ZINC000189587261 402546818 /nfs/dbraw/zinc/54/68/18/402546818.db2.gz YMLVSMRCJNJRHB-LLVKDONJSA-N -1 3 303.318 2.238 20 10 DECDHM O=C(c1ccccc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000183245164 402749780 /nfs/dbraw/zinc/74/97/80/402749780.db2.gz JBPBBOSLULMTFD-UHFFFAOYSA-N -1 3 314.360 2.489 20 10 DECDHM Cc1ccc(C(=O)N(C)[C@H]2CCCc3c2cnn3C)c([O-])c1O ZINC000182883514 402724345 /nfs/dbraw/zinc/72/43/45/402724345.db2.gz UZBDFMQNABXVPZ-ZDUSSCGKSA-N -1 3 315.373 2.289 20 10 DECDHM CC(C)(C)OC(=O)NCCCCNC(=O)c1cccc(O)c1[O-] ZINC000280014289 402966589 /nfs/dbraw/zinc/96/65/89/402966589.db2.gz WLNDFSBBWIRJPO-UHFFFAOYSA-N -1 3 324.377 2.133 20 10 DECDHM COc1cc(Cl)cc(CN2CC[S@](=O)C[C@H](C)C2)c1[O-] ZINC000277627124 403238477 /nfs/dbraw/zinc/23/84/77/403238477.db2.gz XMGUGGIMJOCXNO-SBKAZYGRSA-N -1 3 317.838 2.255 20 10 DECDHM Cc1ccc(C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)c([O-])c1O ZINC000364002447 404280758 /nfs/dbraw/zinc/28/07/58/404280758.db2.gz WINOQSGTHVGZJT-DOTOQJQBSA-N -1 3 305.374 2.341 20 10 DECDHM COc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])C2CC2)cn1 ZINC000530254167 405777858 /nfs/dbraw/zinc/77/78/58/405777858.db2.gz XIJOBXGLFOLGES-OAHLLOKOSA-N -1 3 314.341 2.383 20 10 DECDHM O=C(/C=C\c1cncc([O-])c1)N1CCN2CCOc3cccc1c32 ZINC000492449724 339900965 /nfs/dbraw/zinc/90/09/65/339900965.db2.gz YSXMNQMJUDXAAT-PLNGDYQASA-N -1 3 323.352 2.046 20 10 DECDHM Cc1nc([C@@H]2COCCN2Cc2cc(Cl)ccc2[O-])no1 ZINC000373112312 534585221 /nfs/dbraw/zinc/58/52/21/534585221.db2.gz KGZOEDANFBBNLM-LBPRGKRZSA-N -1 3 309.753 2.311 20 10 DECDHM COc1ccc(N2CCN(CCCCC(=O)[O-])CC2)cc1F ZINC000181588554 524423054 /nfs/dbraw/zinc/42/30/54/524423054.db2.gz JYZCDDPAVCHLIL-UHFFFAOYSA-N -1 3 310.369 2.211 20 10 DECDHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([O-])c1O ZINC000182606718 526122918 /nfs/dbraw/zinc/12/29/18/526122918.db2.gz ZEQPTTADWROMSR-RISCZKNCSA-N -1 3 315.373 2.326 20 10 DECDHM CCc1nnc([C@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])[nH]1 ZINC000273347968 536153288 /nfs/dbraw/zinc/15/32/88/536153288.db2.gz BCSJNDAPNXTHIH-UWVGGRQHSA-N -1 3 318.377 2.271 20 10 DECDHM CCc1nc([C@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])n[nH]1 ZINC000273347968 536153291 /nfs/dbraw/zinc/15/32/91/536153291.db2.gz 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650390455 /nfs/dbraw/zinc/39/04/55/650390455.db2.gz AZRHVOBJTFGAMU-UHFFFAOYSA-N -1 3 310.195 2.486 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCC(=O)c2cccn21 ZINC000928707598 639486900 /nfs/dbraw/zinc/48/69/00/639486900.db2.gz FWBDAXYRBREICQ-ZDUSSCGKSA-N -1 3 302.305 2.167 20 10 DECDHM CCOC(=O)[C@@H](Cc1ccccn1)NCc1cc(F)ccc1[O-] ZINC000763479625 640546459 /nfs/dbraw/zinc/54/64/59/640546459.db2.gz LKWRBFMLTPGVBM-OAHLLOKOSA-N -1 3 318.348 2.190 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)CN1CCO ZINC000841891362 650594502 /nfs/dbraw/zinc/59/45/02/650594502.db2.gz KQVRRJZDCXUUSE-MNOVXSKESA-N -1 3 316.804 2.072 20 10 DECDHM CCOC1CC2(C[C@@H]2NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923989155 641047723 /nfs/dbraw/zinc/04/77/23/641047723.db2.gz NWTVFVCKKBJLIS-BHKPVTDMSA-N -1 3 308.353 2.288 20 10 DECDHM C[C@@H](Cc1cccnc1)NC(=O)NCc1c([O-])cccc1F ZINC000898311200 641098229 /nfs/dbraw/zinc/09/82/29/641098229.db2.gz PMWFPWDTNGBBMS-NSHDSACASA-N -1 3 303.337 2.357 20 10 DECDHM COc1ccc(O)c(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000769540816 641258365 /nfs/dbraw/zinc/25/83/65/641258365.db2.gz JPXQECZLQORHGF-UHFFFAOYSA-N -1 3 324.336 2.172 20 10 DECDHM C[C@H](NCc1nnnn1CC1CC1)c1cc(Cl)ccc1[O-] ZINC000769989071 641317438 /nfs/dbraw/zinc/31/74/38/641317438.db2.gz PHCLGYCBAPVPJA-VIFPVBQESA-N -1 3 307.785 2.293 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)c([O-])c1O ZINC000770467930 641374000 /nfs/dbraw/zinc/37/40/00/641374000.db2.gz AXPPJYWRGLJGQN-UHFFFAOYSA-N -1 3 301.302 2.149 20 10 DECDHM COc1c([O-])c(CNc2ccccc2CO)ccc1[N+](=O)[O-] ZINC000774936268 641983139 /nfs/dbraw/zinc/98/31/39/641983139.db2.gz RBZUCPDNMLMQLG-UHFFFAOYSA-N -1 3 304.302 2.413 20 10 DECDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000775657880 642074231 /nfs/dbraw/zinc/07/42/31/642074231.db2.gz BARLIJFMHWZZBC-CYBMUJFWSA-N -1 3 314.788 2.091 20 10 DECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(OCCO)CC1 ZINC000775733519 642086989 /nfs/dbraw/zinc/08/69/89/642086989.db2.gz VQIMSWAATDINMX-UHFFFAOYSA-N -1 3 303.761 2.158 20 10 DECDHM C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)CN1C ZINC000775983691 642119097 /nfs/dbraw/zinc/11/90/97/642119097.db2.gz CSOFOUWHFUZOLI-UWVGGRQHSA-N -1 3 313.785 2.478 20 10 DECDHM COc1ccc2ccc([O-])c(CN3CN(C)C(=O)[C@@H]3C)c2c1 ZINC000842641485 650792764 /nfs/dbraw/zinc/79/27/64/650792764.db2.gz OJDZZWWSNBZUCO-NSHDSACASA-N -1 3 300.358 2.174 20 10 DECDHM CC(C)[C@@H](NC(=O)NCc1c([O-])cccc1F)c1cnn(C)c1 ZINC000927423041 643698701 /nfs/dbraw/zinc/69/87/01/643698701.db2.gz ACBZQUUKOFAAAS-OAHLLOKOSA-N -1 3 320.368 2.461 20 10 DECDHM CCOC(=O)CC1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000790360021 643844640 /nfs/dbraw/zinc/84/46/40/643844640.db2.gz JSDILUYNUUPTEL-UHFFFAOYSA-N -1 3 307.346 2.094 20 10 DECDHM CCOC(=O)CCCCCCNC(=O)c1cccc(O)c1[O-] ZINC000790543944 643865170 /nfs/dbraw/zinc/86/51/70/643865170.db2.gz ZNZHOTAKPDEGNM-UHFFFAOYSA-N -1 3 309.362 2.341 20 10 DECDHM Cn1c(CNC(=O)c2cccc(O)c2[O-])nc2cc(F)ccc21 ZINC000790687283 643883247 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CNC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000800387507 645265106 /nfs/dbraw/zinc/26/51/06/645265106.db2.gz RRNGJEYLISONLX-UHFFFAOYSA-N -1 3 300.314 2.018 20 10 DECDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cccc(O)c1[O-] ZINC000804177235 645735974 /nfs/dbraw/zinc/73/59/74/645735974.db2.gz NFKBTEGGPVNJOD-UHFFFAOYSA-N -1 3 316.313 2.321 20 10 DECDHM COC(=O)Nc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000804608983 645796250 /nfs/dbraw/zinc/79/62/50/645796250.db2.gz YDCOFCQNPQQRHD-UHFFFAOYSA-N -1 3 316.313 2.206 20 10 DECDHM CC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000809724865 646268437 /nfs/dbraw/zinc/26/84/37/646268437.db2.gz CFXQYXUJYQZRRY-GXFFZTMASA-N -1 3 317.838 2.443 20 10 DECDHM C[C@@H](NCc1cnn(C)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000815626175 647036626 /nfs/dbraw/zinc/03/66/26/647036626.db2.gz XXNZUOWUIRIDLQ-MRVPVSSYSA-N -1 3 300.284 2.390 20 10 DECDHM C[C@@H](O)c1cn(C2CN(Cc3ccc4ccccc4c3[O-])C2)nn1 ZINC000816565171 647152691 /nfs/dbraw/zinc/15/26/91/647152691.db2.gz FAXZVFOWGKPRNR-GFCCVEGCSA-N -1 3 324.384 2.247 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CSCCS1 ZINC000921390794 648303820 /nfs/dbraw/zinc/30/38/20/648303820.db2.gz VLCWAUZRKRTXGP-SECBINFHSA-N -1 3 316.423 2.179 20 10 DECDHM Cn1nc(C2CC2)cc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000823752178 648478751 /nfs/dbraw/zinc/47/87/51/648478751.db2.gz CUZSAEITZNZSFC-UHFFFAOYSA-N -1 3 302.334 2.201 20 10 DECDHM CCN(Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000824515162 648600074 /nfs/dbraw/zinc/60/00/74/648600074.db2.gz LEFZQRRTALQWAD-LBPRGKRZSA-N -1 3 317.838 2.363 20 10 DECDHM CCn1ccnc1[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000825006069 648684693 /nfs/dbraw/zinc/68/46/93/648684693.db2.gz XVJSOVKXWKXIGS-SNVBAGLBSA-N -1 3 320.349 2.376 20 10 DECDHM Cc1cc([O-])c(CN2CC[C@@H](CS(C)(=O)=O)C2)cc1Cl ZINC000825975206 648832738 /nfs/dbraw/zinc/83/27/38/648832738.db2.gz MYYZMMKMJPJXAF-LLVKDONJSA-N -1 3 317.838 2.221 20 10 DECDHM Cc1ccc(C=CC(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826286079 648862818 /nfs/dbraw/zinc/86/28/18/648862818.db2.gz RMWCHZQNOMSGEZ-CMDGGOBGSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ccc(C=CC(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826286079 648862822 /nfs/dbraw/zinc/86/28/22/648862822.db2.gz RMWCHZQNOMSGEZ-CMDGGOBGSA-N -1 3 320.356 2.246 20 10 DECDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1C ZINC000182419770 648905640 /nfs/dbraw/zinc/90/56/40/648905640.db2.gz NAHAPUPSRBBRMJ-UHFFFAOYSA-N -1 3 320.370 2.460 20 10 DECDHM CC(C)Cn1cccc(C(=O)NCc2c([O-])cccc2F)c1=O ZINC000830181075 649405478 /nfs/dbraw/zinc/40/54/78/649405478.db2.gz WMTJFAYVLMNFJF-UHFFFAOYSA-N -1 3 318.348 2.279 20 10 DECDHM O=C(NCc1cc(Cl)ccc1O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848242559 651446428 /nfs/dbraw/zinc/44/64/28/651446428.db2.gz JIBKJFVGOKNWGK-UHFFFAOYSA-N -1 3 319.748 2.349 20 10 DECDHM COC(=O)CN(Cc1nc(C)c[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000862239342 686262876 /nfs/dbraw/zinc/26/28/76/686262876.db2.gz CFWFTBFKMRACLO-UHFFFAOYSA-N -1 3 323.780 2.252 20 10 DECDHM C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1c([O-])cccc1F ZINC000886632877 692141080 /nfs/dbraw/zinc/14/10/80/692141080.db2.gz ITZAGUQUEMIETI-JOYOIKCWSA-N -1 3 306.341 2.352 20 10 DECDHM Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1c([O-])cccc1F ZINC001335311857 1150395207 /nfs/dbraw/zinc/39/52/07/1150395207.db2.gz NKCBWRSWXABLPX-JTQLQIEISA-N -1 3 303.337 2.001 20 10 DECDHM NCc1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168522234 783038972 /nfs/dbraw/zinc/03/89/72/783038972.db2.gz CAAYARTYOIRKOU-UHFFFAOYSA-N -1 3 315.764 2.455 20 10 DECDHM O=C(NCc1cccc2c1OC(F)(F)O2)c1cccc(O)c1[O-] ZINC001167987757 779177266 /nfs/dbraw/zinc/17/72/66/779177266.db2.gz FZKFHEQKLLHCKM-UHFFFAOYSA-N -1 3 323.251 2.349 20 10 DECDHM C[C@@]1(CO)CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298346 790847236 /nfs/dbraw/zinc/84/72/36/790847236.db2.gz CDOKUCVKDWWTTK-CYBMUJFWSA-N -1 3 318.186 2.498 20 10 DECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccncn1 ZINC001148176969 791704380 /nfs/dbraw/zinc/70/43/80/791704380.db2.gz IKMXSBHUYYYSBO-UHFFFAOYSA-N -1 3 314.732 2.314 20 10 DECDHM Cc1cccnc1O[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148219241 791713044 /nfs/dbraw/zinc/71/30/44/791713044.db2.gz YBORUSMVELJOLW-LBPRGKRZSA-N -1 3 314.341 2.095 20 10 DECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1ccccc1 ZINC001177249870 794619544 /nfs/dbraw/zinc/61/95/44/794619544.db2.gz FXCVRSMPSQGKID-ZFWWWQNUSA-N -1 3 301.342 2.340 20 10 DECDHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)C1=CC(=O)CS1 ZINC001180226102 795259177 /nfs/dbraw/zinc/25/91/77/795259177.db2.gz LDAMINIEOKWKAH-MGCOHNPYSA-N -1 3 319.386 2.406 20 10 DECDHM COC[C@H]1CN(Cc2c([O-])cccc2F)Cc2cn(C)nc21 ZINC001137834454 796143989 /nfs/dbraw/zinc/14/39/89/796143989.db2.gz HKNHGDHERJYAPZ-GFCCVEGCSA-N -1 3 305.353 2.011 20 10 DECDHM COc1cc(N2CCN(Cc3c([O-])cccc3F)CC2)ccn1 ZINC001137841424 796145227 /nfs/dbraw/zinc/14/52/27/796145227.db2.gz DTMULMVJIYZJQQ-UHFFFAOYSA-N -1 3 317.364 2.257 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1ccn(CC(F)F)n1 ZINC001201484355 798759542 /nfs/dbraw/zinc/75/95/42/798759542.db2.gz GUVTZIBQTNHSLT-UHFFFAOYSA-N -1 3 314.267 2.315 20 10 DECDHM CN(c1ccc(F)c([O-])c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001211218284 801532580 /nfs/dbraw/zinc/53/25/80/801532580.db2.gz PUSZEUOAMHXEAA-UHFFFAOYSA-N -1 3 324.377 2.122 20 10 DECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](COCC3CC3)C2)c([O-])c1 ZINC001231453300 801668848 /nfs/dbraw/zinc/66/88/48/801668848.db2.gz GDCIGAHJDHJDOL-ZDUSSCGKSA-N -1 3 305.374 2.339 20 10 DECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](COCC3CC3)C2)c([O-])c1 ZINC001231453300 801668853 /nfs/dbraw/zinc/66/88/53/801668853.db2.gz GDCIGAHJDHJDOL-ZDUSSCGKSA-N -1 3 305.374 2.339 20 10 DECDHM COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231562902 801686687 /nfs/dbraw/zinc/68/66/87/801686687.db2.gz FSRGYWXLMZFCAJ-PBHICJAKSA-N -1 3 305.374 2.339 20 10 DECDHM COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231562902 801686689 /nfs/dbraw/zinc/68/66/89/801686689.db2.gz FSRGYWXLMZFCAJ-PBHICJAKSA-N -1 3 305.374 2.339 20 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BFPYINXJCIJGKN-JTQLQIEISA-N -1 3 308.378 2.046 20 10 DECDHM C[C@@H]([NH2+][C@H]1CCCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603659303 1070026672 /nfs/dbraw/zinc/02/66/72/1070026672.db2.gz ZXUAUHDMUXHQFO-ZJUUUORDSA-N -1 3 305.407 2.119 20 10 DECDHM CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@@H]1CCCO1 ZINC001604055488 1070188827 /nfs/dbraw/zinc/18/88/27/1070188827.db2.gz PRDJHRHGFNRPBZ-BPNCWPANSA-N -1 3 317.393 2.181 20 10 DECDHM CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056495 1070191182 /nfs/dbraw/zinc/19/11/82/1070191182.db2.gz ULWQBYFWZHOBCB-WDMOLILDSA-N -1 3 317.393 2.181 20 10 DECDHM C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329544 1070329824 /nfs/dbraw/zinc/32/98/24/1070329824.db2.gz SKANRPRXBJVOIJ-RISCZKNCSA-N -1 3 304.390 2.225 20 10 DECDHM C[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604332147 1070331777 /nfs/dbraw/zinc/33/17/77/1070331777.db2.gz IDVWYCUKXDOQPR-NHYWBVRUSA-N -1 3 300.358 2.441 20 10 DECDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001605535590 1070755900 /nfs/dbraw/zinc/75/59/00/1070755900.db2.gz DNVGNVCXIACAFN-UHFFFAOYSA-N -1 3 321.340 2.037 20 10 DECDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1Cc2cccc(O)c2C1 ZINC001605535590 1070755910 /nfs/dbraw/zinc/75/59/10/1070755910.db2.gz DNVGNVCXIACAFN-UHFFFAOYSA-N -1 3 321.340 2.037 20 10 DECDHM CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c([O-])c1 ZINC001605690791 1070842393 /nfs/dbraw/zinc/84/23/93/1070842393.db2.gz QXJZXTPDDXJSKS-HZUKXOBISA-N -1 3 305.374 2.476 20 10 DECDHM CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c([O-])c1 ZINC001605690791 1070842417 /nfs/dbraw/zinc/84/24/17/1070842417.db2.gz QXJZXTPDDXJSKS-HZUKXOBISA-N -1 3 305.374 2.476 20 10 DECDHM CNc1c(C(=O)NCc2c([O-])cccc2F)cccc1[N+](=O)[O-] ZINC001471976200 1060355418 /nfs/dbraw/zinc/35/54/18/1060355418.db2.gz STEIOJMZUKODIU-UHFFFAOYSA-N -1 3 319.292 2.411 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(CCOC3=O)C2)c1[O-] ZINC001473900011 1060762126 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COC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])ccc1C ZINC001545322259 1072566563 /nfs/dbraw/zinc/56/65/63/1072566563.db2.gz FQZLNEJIPIRNQC-UHFFFAOYSA-N -1 3 301.298 2.445 20 10 DECDHM C[C@@]1(O)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235057997 1079006395 /nfs/dbraw/zinc/00/63/95/1079006395.db2.gz GVILYBIHTQDOKA-GFCCVEGCSA-N -1 3 304.159 2.251 20 10 DECDHM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001646028345 1079082354 /nfs/dbraw/zinc/08/23/54/1079082354.db2.gz GFXGVDDIOYFIAK-QFYYESIMSA-N -1 3 317.316 2.376 20 10 DECDHM Cc1noc(-c2ccc(NC(=O)c3cccc(O)c3[O-])cn2)n1 ZINC001556671609 1075038826 /nfs/dbraw/zinc/03/88/26/1075038826.db2.gz ISMAHHQWRPXWQY-UHFFFAOYSA-N -1 3 312.285 2.104 20 10 DECDHM CC(=O)c1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1 ZINC001561947290 1075156844 /nfs/dbraw/zinc/15/68/44/1075156844.db2.gz QJHWESNENGICIM-UHFFFAOYSA-N -1 3 323.345 2.212 20 10 DECDHM C[C@@H]([NH2+]C1CCSCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952785 1076534034 /nfs/dbraw/zinc/53/40/34/1076534034.db2.gz DBWVFFFWUVMNBL-SECBINFHSA-N -1 3 305.407 2.119 20 10 DECDHM CC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462071 1076631777 /nfs/dbraw/zinc/63/17/77/1076631777.db2.gz ALNILPOQXTVSFD-XJKSGUPXSA-N -1 3 317.393 2.040 20 10 DECDHM CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCO1 ZINC001590504774 1076643040 /nfs/dbraw/zinc/64/30/40/1076643040.db2.gz KZNLOWHIUDYQSG-QJPTWQEYSA-N -1 3 317.393 2.181 20 10 DECDHM C[C@@H](NCc1cccnc1N(C)C)c1cc(C(=O)[O-])ccc1O ZINC001609780362 1077922067 /nfs/dbraw/zinc/92/20/67/1077922067.db2.gz IWJDREHLHQKWTF-LLVKDONJSA-N -1 3 315.373 2.402 20 10 DECDHM C[C@](O)(CC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001652298582 1079865060 /nfs/dbraw/zinc/86/50/60/1079865060.db2.gz MZDHANRSNSLKPG-KRWDZBQOSA-N -1 3 303.333 2.445 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC001658688378 1080215035 /nfs/dbraw/zinc/21/50/35/1080215035.db2.gz BWXGFFGDOMGJJR-DTWKUNHWSA-N -1 3 311.250 2.273 20 10 DECDHM COC(=O)C[C@H]1CSCCN1Cc1cc(F)c(F)cc1[O-] ZINC001658851296 1080220472 /nfs/dbraw/zinc/22/04/72/1080220472.db2.gz VDWBPXHDQHHHBK-JTQLQIEISA-N -1 3 317.357 2.151 20 10 DECDHM CS(=O)(=O)c1ccccc1CNCc1cccc(F)c1[O-] ZINC001660036084 1080260019 /nfs/dbraw/zinc/26/00/19/1080260019.db2.gz HJQZHMJFUZJONG-UHFFFAOYSA-N -1 3 309.362 2.225 20 10 DECDHM [O-]c1c(F)cccc1CN1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001276537725 1083484533 /nfs/dbraw/zinc/48/45/33/1083484533.db2.gz MJMIPYGMCKCZLB-IYBDPMFKSA-N -1 3 320.408 2.359 20 10 DECDHM COC(=O)[C@@]1(C)COCCN1Cc1cc2ccccc2cc1[O-] ZINC001236836103 1138441599 /nfs/dbraw/zinc/44/15/99/1138441599.db2.gz XQFZJAWGRIPKOZ-GOSISDBHSA-N -1 3 315.369 2.309 20 10 DECDHM COC[C@H]1CCN1Cc1c([O-])cc(OC)cc1Br ZINC001237063875 1138496027 /nfs/dbraw/zinc/49/60/27/1138496027.db2.gz AKIVFBWEVKSRJA-SECBINFHSA-N -1 3 316.195 2.384 20 10 DECDHM COc1ccc(Cc2nnc(-c3cc(O)c([O-])c(O)c3)o2)cc1 ZINC001254719131 1143315569 /nfs/dbraw/zinc/31/55/69/1143315569.db2.gz GDSFFUOIXSLKDG-UHFFFAOYSA-N 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CN1CCN(C(=O)/C=C/c2cncc([O-])c2)c2ccccc2C1 ZINC000181980826 402662837 /nfs/dbraw/zinc/66/28/37/402662837.db2.gz NERPXULXAICWRG-VOTSOKGWSA-N -1 3 309.369 2.279 20 10 DECDHM CC(C)(C)c1nnc(CNC(=O)c2cccc(O)c2[O-])s1 ZINC000279066373 402900112 /nfs/dbraw/zinc/90/01/12/402900112.db2.gz CLEFHURHJXFGPP-UHFFFAOYSA-N -1 3 307.375 2.177 20 10 DECDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1[O-] ZINC000280606788 403018329 /nfs/dbraw/zinc/01/83/29/403018329.db2.gz VQIJFZYPXUFCJM-GTNSWQLSSA-N -1 3 323.364 2.114 20 10 DECDHM CC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])[C@H](O)C(F)(F)F ZINC000270776432 403223350 /nfs/dbraw/zinc/22/33/50/403223350.db2.gz BQSSDUCNYRLWKF-KOLCDFICSA-N -1 3 308.256 2.092 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cnccc2OC)c1 ZINC000294510238 403721570 /nfs/dbraw/zinc/72/15/70/403721570.db2.gz YRZXZDUTCXKDMJ-NSHDSACASA-N -1 3 316.357 2.433 20 10 DECDHM COc1cc(Cl)cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1[O-] ZINC000368962876 403917878 /nfs/dbraw/zinc/91/78/78/403917878.db2.gz FICCDEFMJCYFMU-BHYNMZESSA-N -1 3 324.808 2.140 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCCN2c3ccccc3C[C@H]2C1 ZINC000290469759 404182436 /nfs/dbraw/zinc/18/24/36/404182436.db2.gz GFLQIMLLPSFWMA-AWEZNQCLSA-N -1 3 324.380 2.375 20 10 DECDHM COc1cc(Cl)cc(CN2CCn3cnnc3[C@@H]2C)c1[O-] ZINC000276857477 277378964 /nfs/dbraw/zinc/37/89/64/277378964.db2.gz WDFDSTIMZCUHMZ-VIFPVBQESA-N -1 3 308.769 2.223 20 10 DECDHM CC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)C(F)(F)F ZINC000270776431 280946484 /nfs/dbraw/zinc/94/64/84/280946484.db2.gz BQSSDUCNYRLWKF-GXSJLCMTSA-N -1 3 308.256 2.092 20 10 DECDHM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000364711097 302799035 /nfs/dbraw/zinc/79/90/35/302799035.db2.gz PIWRSNJYXVEZNA-AWEZNQCLSA-N -1 3 315.373 2.425 20 10 DECDHM Cc1nccnc1N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000374218477 534786270 /nfs/dbraw/zinc/78/62/70/534786270.db2.gz SFLAAUVSALMXEL-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM Cc1ccc(C(=O)N2CCC[C@@]2(CO)CC(C)C)c([O-])c1O ZINC000191509665 526103246 /nfs/dbraw/zinc/10/32/46/526103246.db2.gz IJQSHLJMGFUUEK-KRWDZBQOSA-N -1 3 307.390 2.419 20 10 DECDHM O=C(NCCCOCCc1ccccc1)c1cccc(O)c1[O-] ZINC000186982754 527685882 /nfs/dbraw/zinc/68/58/82/527685882.db2.gz QSQFCRKAISACSW-UHFFFAOYSA-N -1 3 315.369 2.477 20 10 DECDHM Cc1nocc1S(=O)(=O)[N-][C@@H](C)c1ccc(N(C)C)cc1 ZINC000867126485 649931187 /nfs/dbraw/zinc/93/11/87/649931187.db2.gz ZPLBFSFPTGXYEI-JTQLQIEISA-N -1 3 309.391 2.089 20 10 DECDHM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cccc(O)c1[O-] ZINC000836881084 650140327 /nfs/dbraw/zinc/14/03/27/650140327.db2.gz GUTZXALQYJCBJD-SWLSCSKDSA-N -1 3 314.341 2.143 20 10 DECDHM CN1CCCc2cc(CNC(=O)c3cccc(O)c3[O-])ccc21 ZINC000187044196 636878556 /nfs/dbraw/zinc/87/85/56/636878556.db2.gz ITQYNKRSYOUZPR-UHFFFAOYSA-N -1 3 312.369 2.410 20 10 DECDHM C[C@H](O)[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894430635 637034620 /nfs/dbraw/zinc/03/46/20/637034620.db2.gz HOWNZENIYVRVSF-IUCAKERBSA-N -1 3 318.186 2.497 20 10 DECDHM COC[C@H]1C(=O)N[C@@H](c2cc(-c3ccccc3)ccc2[O-])N1C ZINC000840830299 650364047 /nfs/dbraw/zinc/36/40/47/650364047.db2.gz CEMPFONKMACBJO-DOTOQJQBSA-N -1 3 312.369 2.134 20 10 DECDHM Cc1cc([O-])c(CN(C)[C@@H](C)CS(C)(=O)=O)c(Cl)c1 ZINC000840914913 650374345 /nfs/dbraw/zinc/37/43/45/650374345.db2.gz IRDVJLJFWQYOND-JTQLQIEISA-N -1 3 305.827 2.219 20 10 DECDHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(O)cc1SC ZINC000840914993 650379485 /nfs/dbraw/zinc/37/94/85/650379485.db2.gz YFOVUCHNQQFJSE-UHFFFAOYSA-N -1 3 305.421 2.281 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCCn2nncc2C1 ZINC000895757557 638182991 /nfs/dbraw/zinc/18/29/91/638182991.db2.gz XPMOMTGXFIVDCG-UHFFFAOYSA-N -1 3 323.194 2.152 20 10 DECDHM O=C1CC2(CCC2)N(Cc2cc(Cl)cc(F)c2[O-])CCN1 ZINC000895927431 638271017 /nfs/dbraw/zinc/27/10/17/638271017.db2.gz RIKJXDYXMOVQEY-UHFFFAOYSA-N -1 3 312.772 2.429 20 10 DECDHM Cc1cc(Br)c([O-])c(CNCC(F)(F)CN)c1 ZINC000841059441 650417655 /nfs/dbraw/zinc/41/76/55/650417655.db2.gz DORVBAYPDXNILM-UHFFFAOYSA-N -1 3 309.154 2.147 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897185263 639230016 /nfs/dbraw/zinc/23/00/16/639230016.db2.gz AMJSNVLBSYZWJX-NHYWBVRUSA-N -1 3 308.353 2.288 20 10 DECDHM COC(=O)C1(C(=O)NCc2c([O-])cccc2F)CC2(CCC2)C1 ZINC000928711242 639489160 /nfs/dbraw/zinc/48/91/60/639489160.db2.gz LXYLFPZDWBSNOM-UHFFFAOYSA-N -1 3 321.348 2.271 20 10 DECDHM C[C@@H](NCc1cn(C)nn1)c1cc(Br)ccc1[O-] ZINC000757654750 639864383 /nfs/dbraw/zinc/86/43/83/639864383.db2.gz DUNNCORFUASSET-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM COc1c([O-])c(CN2CCOC(C)(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774904287 641978900 /nfs/dbraw/zinc/97/89/00/641978900.db2.gz GDRMRLCQPMMUND-JTQLQIEISA-N -1 3 310.350 2.308 20 10 DECDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])nc1 ZINC000775036928 641997268 /nfs/dbraw/zinc/99/72/68/641997268.db2.gz HLZIGLVGTHTECJ-UHFFFAOYSA-N -1 3 305.290 2.325 20 10 DECDHM Cc1nc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)[nH]c1C ZINC000899509106 642088588 /nfs/dbraw/zinc/08/85/88/642088588.db2.gz IMXHAMUUNURAEU-UHFFFAOYSA-N -1 3 315.373 2.458 20 10 DECDHM Cc1cc(C(=O)COC(=O)c2cnn[n-]2)c(C)n1-c1ccccc1 ZINC000805608529 642395409 /nfs/dbraw/zinc/39/54/09/642395409.db2.gz FZHPXRPVDWKVOP-UHFFFAOYSA-N -1 3 324.340 2.252 20 10 DECDHM Cc1cc(C(=O)COC(=O)c2c[n-]nn2)c(C)n1-c1ccccc1 ZINC000805608529 642395415 /nfs/dbraw/zinc/39/54/15/642395415.db2.gz FZHPXRPVDWKVOP-UHFFFAOYSA-N -1 3 324.340 2.252 20 10 DECDHM Cc1cc(CC(=O)[N-]OCCO)c(C)n1-c1ccc(Cl)cc1 ZINC000787295845 643478543 /nfs/dbraw/zinc/47/85/43/643478543.db2.gz QVJQGYUPIQSDIJ-UHFFFAOYSA-N -1 3 322.792 2.330 20 10 DECDHM CC(=O)OCCc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790921387 643909946 /nfs/dbraw/zinc/90/99/46/643909946.db2.gz GXLVCRBPQWTDOQ-UHFFFAOYSA-N -1 3 315.325 2.456 20 10 DECDHM COC[C@@](C)(CC(=O)OC)NCc1c([O-])ccc(Cl)c1F ZINC000792174015 644084257 /nfs/dbraw/zinc/08/42/57/644084257.db2.gz CFHKBZXLACVXJK-CQSZACIVSA-N -1 3 319.760 2.243 20 10 DECDHM CSc1cc(O)ccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000792703476 644141131 /nfs/dbraw/zinc/14/11/31/644141131.db2.gz XVBCOAZIJUWBQK-JTQLQIEISA-N -1 3 303.405 2.035 20 10 DECDHM C[C@@H]1CS(=O)(=O)CCN1Cc1c([O-])ccc2ccccc21 ZINC000172611256 646745031 /nfs/dbraw/zinc/74/50/31/646745031.db2.gz LHYXNHBCPPJMGB-GFCCVEGCSA-N -1 3 305.399 2.164 20 10 DECDHM COC(=O)[C@@]1(F)CCN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824913508 648671926 /nfs/dbraw/zinc/67/19/26/648671926.db2.gz UXAIPBFGZLXSQI-CQSZACIVSA-N -1 3 301.745 2.441 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(-n3cccn3)nc2)c([O-])c1O ZINC000181839939 648762048 /nfs/dbraw/zinc/76/20/48/648762048.db2.gz URDGSODTEULDDI-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CC(F)(F)C[C@H]1CO ZINC000825621314 648788784 /nfs/dbraw/zinc/78/87/84/648788784.db2.gz LHORYXNJLMSHSN-JTQLQIEISA-N -1 3 322.149 2.357 20 10 DECDHM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cccc(O)c1[O-] ZINC000185771707 649612401 /nfs/dbraw/zinc/61/24/01/649612401.db2.gz NCGLFJXWGXDVEI-UHFFFAOYSA-N -1 3 315.304 2.086 20 10 DECDHM Cc1nn(C)c(Cl)c1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000846026650 651303070 /nfs/dbraw/zinc/30/30/70/651303070.db2.gz YLASRWINWFLRSG-UHFFFAOYSA-N -1 3 309.753 2.065 20 10 DECDHM CC(=O)N[C@@H](CCC(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928709663 693831064 /nfs/dbraw/zinc/83/10/64/693831064.db2.gz DAQYWFJXPHGPSN-AWEZNQCLSA-N -1 3 310.369 2.088 20 10 DECDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1O ZINC000136485073 684240554 /nfs/dbraw/zinc/24/05/54/684240554.db2.gz QCXRBCXRZLMTPW-UHFFFAOYSA-N -1 3 305.355 2.436 20 10 DECDHM Cc1nc(CN(C)Cc2c([O-])cccc2Br)no1 ZINC000862418638 686297331 /nfs/dbraw/zinc/29/73/31/686297331.db2.gz QQACOFONZRVHMG-UHFFFAOYSA-N -1 3 312.167 2.478 20 10 DECDHM CC(C)(C)n1cnc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC000930800816 694245792 /nfs/dbraw/zinc/24/57/92/694245792.db2.gz WSNNFCQEIAVHIM-UHFFFAOYSA-N -1 3 307.329 2.200 20 10 DECDHM O=C1NCCC12CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000877782916 690227126 /nfs/dbraw/zinc/22/71/26/690227126.db2.gz UUMIJIRHDAGPCV-UHFFFAOYSA-N -1 3 312.772 2.287 20 10 DECDHM C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1c([O-])cccc1F ZINC000886632875 692141595 /nfs/dbraw/zinc/14/15/95/692141595.db2.gz ITZAGUQUEMIETI-BXKDBHETSA-N -1 3 306.341 2.352 20 10 DECDHM CSc1ccc([O-])c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC001137443705 788360618 /nfs/dbraw/zinc/36/06/18/788360618.db2.gz ZWQPJPXLJNADRZ-UHFFFAOYSA-N -1 3 305.355 2.455 20 10 DECDHM COc1cccc2ncnc(NC(=O)c3cccc(O)c3[O-])c21 ZINC001148212225 791711281 /nfs/dbraw/zinc/71/12/81/791711281.db2.gz RSRYQKSKIBWIHZ-UHFFFAOYSA-N -1 3 311.297 2.302 20 10 DECDHM NC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC001148219195 791712059 /nfs/dbraw/zinc/71/20/59/791712059.db2.gz WPPLTGCUUQNDQZ-UHFFFAOYSA-N -1 3 306.705 2.102 20 10 DECDHM CC(C)CC1(NC(=O)c2cc(O)c([O-])c(O)c2)CCOCC1 ZINC001148590786 791778399 /nfs/dbraw/zinc/77/83/99/791778399.db2.gz PWVPYLDHHLHGBZ-UHFFFAOYSA-N -1 3 309.362 2.129 20 10 DECDHM Cc1cccnc1[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001148590156 791778514 /nfs/dbraw/zinc/77/85/14/791778514.db2.gz XTIFEPICFGHZQY-OAHLLOKOSA-N -1 3 314.341 2.388 20 10 DECDHM O=C(Nc1ccccc1-c1ncc[nH]1)c1cc(O)c([O-])c(O)c1 ZINC001148586863 791778684 /nfs/dbraw/zinc/77/86/84/791778684.db2.gz XPUWALOFDVRHLS-UHFFFAOYSA-N -1 3 311.297 2.446 20 10 DECDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1[N+](=O)[O-] ZINC001171890957 793242008 /nfs/dbraw/zinc/24/20/08/793242008.db2.gz LZVANEXZRPBSGB-UHFFFAOYSA-N -1 3 302.286 2.244 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cnn(-c2ccccc2)n1 ZINC001178413068 794921742 /nfs/dbraw/zinc/92/17/42/794921742.db2.gz MWLFRCNLIMDOEJ-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM COc1c(NCc2cc(F)c(F)cc2[O-])cccc1C(N)=O ZINC001180321911 795281966 /nfs/dbraw/zinc/28/19/66/795281966.db2.gz BRANFZMUJYGAQU-UHFFFAOYSA-N -1 3 308.284 2.390 20 10 DECDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2F)Cc2cn(C)nc21 ZINC001137834342 796143936 /nfs/dbraw/zinc/14/39/36/796143936.db2.gz CWYNDFKFDBOGSQ-ZDUSSCGKSA-N -1 3 319.380 2.401 20 10 DECDHM CCOC[C@@H]1CN(Cc2cccc(F)c2[O-])Cc2cnn(C)c21 ZINC001138124988 796165932 /nfs/dbraw/zinc/16/59/32/796165932.db2.gz GIPXEDADPGRWJS-AWEZNQCLSA-N -1 3 319.380 2.401 20 10 DECDHM O=C1CCC[C@@]2(CCCN(Cc3c([O-])cc(F)cc3F)C2)N1 ZINC001140581212 796541177 /nfs/dbraw/zinc/54/11/77/796541177.db2.gz RWNUFBUPPIEVOD-INIZCTEOSA-N -1 3 310.344 2.305 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1c1ccc(F)cc1 ZINC001140920947 796597611 /nfs/dbraw/zinc/59/76/11/796597611.db2.gz NEAOLEAKKMPAGC-CQSZACIVSA-N -1 3 317.316 2.451 20 10 DECDHM CNC(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000840974483 796710764 /nfs/dbraw/zinc/71/07/64/796710764.db2.gz JJIQGRDDMLCNAP-UHFFFAOYSA-N -1 3 315.776 2.078 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CC(N2CCC(F)CC2)C1 ZINC001142524540 796747293 /nfs/dbraw/zinc/74/72/93/796747293.db2.gz AMQMVOVMBHKKJW-UHFFFAOYSA-N -1 3 300.324 2.289 20 10 DECDHM COc1ccc(C(=O)NCc2c([O-])cccc2F)c(OC)c1 ZINC001156164336 797936013 /nfs/dbraw/zinc/93/60/13/797936013.db2.gz WVZDZMJLOVNSIR-UHFFFAOYSA-N -1 3 305.305 2.479 20 10 DECDHM CCOC(=O)c1ncc(C(=O)NCc2c([O-])cccc2F)s1 ZINC001161848436 798948959 /nfs/dbraw/zinc/94/89/59/798948959.db2.gz DNBRETKFDHXFSG-UHFFFAOYSA-N -1 3 324.333 2.095 20 10 DECDHM CN(Cc1ccc(C(N)=O)cc1)Cc1cc(F)cc(F)c1[O-] ZINC001205710936 800406390 /nfs/dbraw/zinc/40/63/90/800406390.db2.gz SINJLEYUFXWCJW-UHFFFAOYSA-N -1 3 306.312 2.401 20 10 DECDHM CCOC(=O)[C@H]1COCCN1Cc1ccc2ccccc2c1[O-] ZINC001231881963 801744227 /nfs/dbraw/zinc/74/42/27/801744227.db2.gz CRYRPJJQYAGKGP-MRXNPFEDSA-N -1 3 315.369 2.309 20 10 DECDHM CN(C)C1CN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233026688 802007202 /nfs/dbraw/zinc/00/72/02/802007202.db2.gz CSCXXCPDIHDFFH-UHFFFAOYSA-N -1 3 303.175 2.040 20 10 DECDHM Cc1nccnc1O[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079909 802023129 /nfs/dbraw/zinc/02/31/29/802023129.db2.gz NEQMHFUBZLUMFZ-LBPRGKRZSA-N -1 3 321.327 2.422 20 10 DECDHM COC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452275 802121467 /nfs/dbraw/zinc/12/14/67/802121467.db2.gz QEDRCSVFPMFCJU-QWRGUYRKSA-N -1 3 321.270 2.496 20 10 DECDHM COCC1CN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001599205284 997395634 /nfs/dbraw/zinc/39/56/34/997395634.db2.gz KIPXCUZDFNTRCZ-UHFFFAOYSA-N -1 3 306.337 2.094 20 10 DECDHM COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001606510011 1071157138 /nfs/dbraw/zinc/15/71/38/1071157138.db2.gz RNZWJUIAKUFONM-WCQGTBRESA-N -1 3 307.346 2.083 20 10 DECDHM COC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC001606815074 1071219903 /nfs/dbraw/zinc/21/99/03/1071219903.db2.gz OOKTZIWOQHBTID-OAHLLOKOSA-N -1 3 301.342 2.248 20 10 DECDHM Oc1ccc2c(c1CNc1ccc(-c3nnn[n-]3)nc1)CCCC2 ZINC001607110787 1071303575 /nfs/dbraw/zinc/30/35/75/1071303575.db2.gz KZSFMHKJHPNOKL-UHFFFAOYSA-N -1 3 322.372 2.458 20 10 DECDHM Oc1ccc2c(c1CNc1ccc(-c3nn[n-]n3)nc1)CCCC2 ZINC001607110787 1071303586 /nfs/dbraw/zinc/30/35/86/1071303586.db2.gz KZSFMHKJHPNOKL-UHFFFAOYSA-N -1 3 322.372 2.458 20 10 DECDHM O=C(Cc1cnc[nH]1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001450725358 1056466366 /nfs/dbraw/zinc/46/63/66/1056466366.db2.gz YRXJLVTUUCJSLE-UHFFFAOYSA-N -1 3 300.145 2.281 20 10 DECDHM COc1ccn2c(c1)ncc2C(=O)NCc1c([O-])cccc1F ZINC001456026630 1057808220 /nfs/dbraw/zinc/80/82/20/1057808220.db2.gz BKBDZTGYEYSWJU-UHFFFAOYSA-N -1 3 315.304 2.118 20 10 DECDHM COC1(OC)CCOC[C@@H]1NCc1c([O-])ccc(Cl)c1F ZINC001461727800 1058701673 /nfs/dbraw/zinc/70/16/73/1058701673.db2.gz IJTROIMIAXAINL-LBPRGKRZSA-N -1 3 319.760 2.052 20 10 DECDHM NC(=O)[C@@H](NCc1cc(F)c(F)cc1[O-])c1ccc(F)cc1 ZINC001621229684 1078171397 /nfs/dbraw/zinc/17/13/97/1078171397.db2.gz KHMHZMRAJDVAMI-AWEZNQCLSA-N -1 3 310.275 2.126 20 10 DECDHM CC(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1[O-] ZINC001625496073 1078246286 /nfs/dbraw/zinc/24/62/86/1078246286.db2.gz FJHKZMYSVXHDRS-UHFFFAOYSA-N -1 3 301.298 2.187 20 10 DECDHM O=C(Nc1cccc(C2OCCO2)c1)c1cccc(O)c1[O-] ZINC001626866874 1078265106 /nfs/dbraw/zinc/26/51/06/1078265106.db2.gz NRPWVYIMDYMXSV-UHFFFAOYSA-N -1 3 301.298 2.396 20 10 DECDHM Cc1noc([C@@H](NC(=O)NCc2c([O-])cccc2F)C(C)C)n1 ZINC001565494719 1075179020 /nfs/dbraw/zinc/17/90/20/1075179020.db2.gz QZUDGXUMHFAMKK-ZDUSSCGKSA-N -1 3 322.340 2.419 20 10 DECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n(Cc2ccccn2)n1 ZINC001566193162 1075237702 /nfs/dbraw/zinc/23/77/02/1075237702.db2.gz AGJACQLWXQBGFZ-UHFFFAOYSA-N -1 3 324.340 2.298 20 10 DECDHM C[C@@H]([NH2+]CCOC1CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961962 1076536880 /nfs/dbraw/zinc/53/68/80/1076536880.db2.gz DLDKQCWTVVZDQD-LLVKDONJSA-N -1 3 317.393 2.182 20 10 DECDHM C[C@@H]([NH2+]CCOC(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589964995 1076538422 /nfs/dbraw/zinc/53/84/22/1076538422.db2.gz XKONCWZKLYKVEC-SNVBAGLBSA-N -1 3 305.382 2.038 20 10 DECDHM C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589973110 1076540878 /nfs/dbraw/zinc/54/08/78/1076540878.db2.gz BKGNNSBNKKRQFJ-WDEREUQCSA-N -1 3 310.361 2.379 20 10 DECDHM CC(C)[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C(C)(C)O ZINC001589974166 1076541197 /nfs/dbraw/zinc/54/11/97/1076541197.db2.gz PZHMQQAMOLYWTK-HZMBPMFUSA-N -1 3 319.409 2.018 20 10 DECDHM CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462469 1076631061 /nfs/dbraw/zinc/63/10/61/1076631061.db2.gz CQKUVAIOZJBCSB-ZIAGYGMSSA-N -1 3 317.393 2.038 20 10 DECDHM Oc1ccc(CCNc2ccc(F)cc2-c2nnn[n-]2)cc1O ZINC001593540594 1077021303 /nfs/dbraw/zinc/02/13/03/1077021303.db2.gz KMOLESRVSRAOKG-UHFFFAOYSA-N -1 3 315.308 2.072 20 10 DECDHM Oc1ccc(CCNc2ccc(F)cc2-c2nn[n-]n2)cc1O ZINC001593540594 1077021306 /nfs/dbraw/zinc/02/13/06/1077021306.db2.gz KMOLESRVSRAOKG-UHFFFAOYSA-N -1 3 315.308 2.072 20 10 DECDHM O=C([O-])[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001601772105 1077450361 /nfs/dbraw/zinc/45/03/61/1077450361.db2.gz JGOVKCGKUUSWKT-JKSUJKDBSA-N -1 3 313.353 2.079 20 10 DECDHM O=C([O-])[C@H]1C[C@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001601772105 1077450358 /nfs/dbraw/zinc/45/03/58/1077450358.db2.gz JGOVKCGKUUSWKT-JKSUJKDBSA-N -1 3 313.353 2.079 20 10 DECDHM O=C([O-])[C@H]1C[C@H](O)CN1Cc1cc(-c2ccccc2)ccc1O ZINC001601772105 1077450364 /nfs/dbraw/zinc/45/03/64/1077450364.db2.gz JGOVKCGKUUSWKT-JKSUJKDBSA-N -1 3 313.353 2.079 20 10 DECDHM C[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780704 1077922597 /nfs/dbraw/zinc/92/25/97/1077922597.db2.gz VAEAGVPKHNEBJQ-NSHDSACASA-N -1 3 304.390 2.368 20 10 DECDHM [O-]c1cc(Cl)ccc1CN1CCN(c2ncc(F)cn2)CC1 ZINC001652146761 1079855140 /nfs/dbraw/zinc/85/51/40/1079855140.db2.gz WZBGMTSGOZCWIZ-UHFFFAOYSA-N -1 3 322.771 2.297 20 10 DECDHM COC(=O)CN(Cc1ccc(Cl)cc1[O-])C1CCOCC1 ZINC001658837904 1080219397 /nfs/dbraw/zinc/21/93/97/1080219397.db2.gz UEJCAIMSXNKRJD-UHFFFAOYSA-N -1 3 313.781 2.200 20 10 DECDHM [O-]c1c(F)cc(F)cc1CNCc1nc(-c2ccccn2)n[nH]1 ZINC001659788438 1080249946 /nfs/dbraw/zinc/24/99/46/1080249946.db2.gz LYVNBNGZNXNMOL-UHFFFAOYSA-N -1 3 317.299 2.140 20 10 DECDHM [O-]c1cc(Br)ccc1CNC1(c2ncon2)CC1 ZINC001660075115 1080261898 /nfs/dbraw/zinc/26/18/98/1080261898.db2.gz ULOPBUGISLGFTM-UHFFFAOYSA-N -1 3 310.151 2.317 20 10 DECDHM CCN(Cc1cc(Br)cc(F)c1[O-])C1CN(C)C1 ZINC001235066640 1084295583 /nfs/dbraw/zinc/29/55/83/1084295583.db2.gz LQQQSLRCMKFWDU-UHFFFAOYSA-N -1 3 317.202 2.430 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc3c2CN(C)C3=O)c([O-])c1O ZINC001299281976 1086145569 /nfs/dbraw/zinc/14/55/69/1086145569.db2.gz VQLZMVOQKFXOOU-UHFFFAOYSA-N -1 3 312.325 2.244 20 10 DECDHM [O-]c1cccc(F)c1CN1CCC(Oc2ccncn2)CC1 ZINC001137841640 1086735062 /nfs/dbraw/zinc/73/50/62/1086735062.db2.gz NXEHOIHDGMJXLW-UHFFFAOYSA-N -1 3 303.337 2.365 20 10 DECDHM CN1CCO[C@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@H]21 ZINC001237076915 1138499288 /nfs/dbraw/zinc/49/92/88/1138499288.db2.gz BDAAYAQPUSPVAJ-YPMHNXCESA-N -1 3 317.216 2.214 20 10 DECDHM O=C1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@H]2CCCN12 ZINC001237940742 1138811500 /nfs/dbraw/zinc/81/15/00/1138811500.db2.gz NGEIPRWAZLCKAC-LLVKDONJSA-N -1 3 312.772 2.381 20 10 DECDHM C[C@H](CO)N(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001320832909 1140945359 /nfs/dbraw/zinc/94/53/59/1140945359.db2.gz UZOZTSUTPFJCPD-GFCCVEGCSA-N -1 3 301.342 2.121 20 10 DECDHM CC(C)(O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001252360794 1142693778 /nfs/dbraw/zinc/69/37/78/1142693778.db2.gz RZGPKGRIULPGLA-UHFFFAOYSA-N -1 3 311.337 2.350 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC(Nc2ccc(F)cc2)C1 ZINC001302086440 1147305444 /nfs/dbraw/zinc/30/54/44/1147305444.db2.gz SQBIQRPXLNPRBC-UHFFFAOYSA-N -1 3 302.305 2.173 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@H](O)Cc1ccccc1Cl ZINC001303875152 1147337524 /nfs/dbraw/zinc/33/75/24/1147337524.db2.gz BHQFIUZXGCEZPC-HNNXBMFYSA-N -1 3 323.751 2.405 20 10 DECDHM COCCN(Cc1cc2c(cc1[O-])OCO2)CC(F)(F)F ZINC000063281740 184280129 /nfs/dbraw/zinc/28/01/29/184280129.db2.gz PWTFSYALIBYEPG-UHFFFAOYSA-N -1 3 307.268 2.132 20 10 DECDHM CN(CCc1cnccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000272829314 130067999 /nfs/dbraw/zinc/06/79/99/130067999.db2.gz PQAZDZKAXGSFSW-UHFFFAOYSA-N -1 3 322.752 2.418 20 10 DECDHM CN(CC(=O)N1CCc2ccccc2C1)Cc1ccccc1[O-] ZINC000109770964 402275581 /nfs/dbraw/zinc/27/55/81/402275581.db2.gz ONZQTOSAQVPBQB-UHFFFAOYSA-N -1 3 310.397 2.409 20 10 DECDHM COC(=O)C[C@H]1CN(Cc2c([O-])ccc3ccccc32)CCO1 ZINC000176140511 402282926 /nfs/dbraw/zinc/28/29/26/402282926.db2.gz NMZMQXVBLAKCDY-AWEZNQCLSA-N -1 3 315.369 2.309 20 10 DECDHM COc1cc(Cl)cc(CN(C)CC(=O)NC(C)C)c1[O-] ZINC000184675286 402290875 /nfs/dbraw/zinc/29/08/75/402290875.db2.gz CGKYIJDPAXLOLL-UHFFFAOYSA-N -1 3 300.786 2.011 20 10 DECDHM COC(=O)CN(C)Cc1cc(Br)cc(C)c1[O-] ZINC000179710107 402598065 /nfs/dbraw/zinc/59/80/65/402598065.db2.gz HZZPMBPFCOMODM-UHFFFAOYSA-N -1 3 302.168 2.068 20 10 DECDHM O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(O)c1[O-] ZINC000193147712 402767364 /nfs/dbraw/zinc/76/73/64/402767364.db2.gz WNCJRZNTMRYGLU-CQDKDKBSSA-N -1 3 303.358 2.175 20 10 DECDHM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(O)c1[O-] ZINC000193147697 402767625 /nfs/dbraw/zinc/76/76/25/402767625.db2.gz WNCJRZNTMRYGLU-GLQYFDAESA-N -1 3 303.358 2.175 20 10 DECDHM C[C@@H](NCc1cc(Br)ccc1[O-])c1ncn(C)n1 ZINC000275827599 403126513 /nfs/dbraw/zinc/12/65/13/403126513.db2.gz NVYFJUGQKWNSFF-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM CS(=O)(=O)C[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000293888574 403591234 /nfs/dbraw/zinc/59/12/34/403591234.db2.gz KEQWQMUSUWWQDM-LLVKDONJSA-N -1 3 317.838 2.302 20 10 DECDHM Cc1ccc(C(=O)N[C@@H]2CN(C)Cc3ccccc32)c([O-])c1O ZINC000361743241 403836989 /nfs/dbraw/zinc/83/69/89/403836989.db2.gz IOHOGHQNCNPLEL-OAHLLOKOSA-N -1 3 312.369 2.323 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369146211 227025741 /nfs/dbraw/zinc/02/57/41/227025741.db2.gz XAGZEZJZVGFVBH-OLZOCXBDSA-N -1 3 305.374 2.377 20 10 DECDHM Cc1ccc(C(=O)N2CCC([C@@H]3CCOC3)CC2)c([O-])c1O ZINC000371777774 227078104 /nfs/dbraw/zinc/07/81/04/227078104.db2.gz LKAYBHBZJRZTQK-CYBMUJFWSA-N -1 3 305.374 2.295 20 10 DECDHM COc1cc(Cl)cc(CN2CC[C@@H](n3cncn3)C2)c1[O-] ZINC000377283219 533952455 /nfs/dbraw/zinc/95/24/55/533952455.db2.gz NTYZUIDHYNVBOR-GFCCVEGCSA-N -1 3 308.769 2.093 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2nncn2C)c1[O-] ZINC000156588579 518284536 /nfs/dbraw/zinc/28/45/36/518284536.db2.gz BVTMPQMGVICURP-AWEZNQCLSA-N -1 3 318.352 2.200 20 10 DECDHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])CCN1CC(C)(C)O ZINC000188895670 524625618 /nfs/dbraw/zinc/62/56/18/524625618.db2.gz RMPBUCLJEDEFOF-LBPRGKRZSA-N -1 3 312.841 2.323 20 10 DECDHM Cc1nsc(N2CCN(Cc3cc(F)ccc3[O-])CC2)n1 ZINC000180199677 526711441 /nfs/dbraw/zinc/71/14/41/526711441.db2.gz WNDKGUZDIZBDHT-UHFFFAOYSA-N -1 3 308.382 2.013 20 10 DECDHM O=C(NCCCCNc1ccccn1)c1cccc(O)c1[O-] ZINC000188420785 527652597 /nfs/dbraw/zinc/65/25/97/527652597.db2.gz XKBUWGPIGCFOKT-UHFFFAOYSA-N -1 3 301.346 2.115 20 10 DECDHM CCN1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000821241330 606302205 /nfs/dbraw/zinc/30/22/05/606302205.db2.gz MODQWYJIEDLQKG-YWEYNIOJSA-N -1 3 323.428 2.149 20 10 DECDHM CCN1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000821241330 606302207 /nfs/dbraw/zinc/30/22/07/606302207.db2.gz MODQWYJIEDLQKG-YWEYNIOJSA-N -1 3 323.428 2.149 20 10 DECDHM O=C(Nc1ccc(OCCCO)cc1)c1cccc(O)c1[O-] ZINC000804758349 623226135 /nfs/dbraw/zinc/22/61/35/623226135.db2.gz BWMHLCAODHLJFS-UHFFFAOYSA-N -1 3 303.314 2.111 20 10 DECDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1OC ZINC000317253440 635229569 /nfs/dbraw/zinc/22/95/69/635229569.db2.gz AXHXPWCUKOMHQI-UHFFFAOYSA-N -1 3 303.314 2.045 20 10 DECDHM COCCOC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894022077 636090282 /nfs/dbraw/zinc/09/02/82/636090282.db2.gz UJCSEYZMSIKJBA-UHFFFAOYSA-N -1 3 301.333 2.298 20 10 DECDHM CO[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C12CCC2 ZINC000922853763 636446275 /nfs/dbraw/zinc/44/62/75/636446275.db2.gz FSURIZGVDABYBD-UONOGXRCSA-N -1 3 308.353 2.288 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H]2NC(=O)c3cccc(C)c3N2)c1 ZINC000726796839 636471209 /nfs/dbraw/zinc/47/12/09/636471209.db2.gz KAWHUPANJAOTQA-HNNXBMFYSA-N -1 3 312.325 2.341 20 10 DECDHM O=C(NCc1nnc(C2CC2)s1)NCc1c([O-])cccc1F ZINC000922911624 636850451 /nfs/dbraw/zinc/85/04/51/636850451.db2.gz NPJDUNZQVFHLGG-UHFFFAOYSA-N -1 3 322.365 2.260 20 10 DECDHM CCOC(=O)[C@H]1CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000840916596 650379738 /nfs/dbraw/zinc/37/97/38/650379738.db2.gz BWNOQFQUXFSHLU-CQSZACIVSA-N -1 3 313.781 2.118 20 10 DECDHM Cc1cc([O-])c(CN2CC[C@H](C)S(=O)(=O)CC2)c(Cl)c1 ZINC000840941579 650391734 /nfs/dbraw/zinc/39/17/34/650391734.db2.gz DCYSPSYYSKFWKR-NSHDSACASA-N -1 3 317.838 2.363 20 10 DECDHM COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Cl)ccc1[O-] ZINC000895862383 638228481 /nfs/dbraw/zinc/22/84/81/638228481.db2.gz ICAXBOSOHBBZMX-CHWSQXEVSA-N -1 3 313.781 2.246 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])[C@H](C)CN1CCO ZINC000841891360 650594243 /nfs/dbraw/zinc/59/42/43/650594243.db2.gz KQVRRJZDCXUUSE-GHMZBOCLSA-N -1 3 316.804 2.072 20 10 DECDHM C[C@H](NCc1nnnn1CC1CC1)c1ccc(Cl)cc1[O-] ZINC000841753913 640748837 /nfs/dbraw/zinc/74/88/37/640748837.db2.gz XTIHLXWMOJSFDD-VIFPVBQESA-N -1 3 307.785 2.293 20 10 DECDHM Cn1nccc1[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000897559503 640800476 /nfs/dbraw/zinc/80/04/76/640800476.db2.gz XRBKJJDUROVXGR-OAHLLOKOSA-N -1 3 307.781 2.353 20 10 DECDHM O=C(NCc1cccc(Br)c1[O-])c1cncc(O)c1 ZINC000765945404 640831842 /nfs/dbraw/zinc/83/18/42/640831842.db2.gz WJPGKSQPTQDSSF-UHFFFAOYSA-N -1 3 323.146 2.185 20 10 DECDHM CC[C@@H](CO)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775726644 642085375 /nfs/dbraw/zinc/08/53/75/642085375.db2.gz YNGRAWNCCKIYMD-ZDUSSCGKSA-N -1 3 316.804 2.073 20 10 DECDHM C[C@H]1Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2NC1=O ZINC000776327281 642158565 /nfs/dbraw/zinc/15/85/65/642158565.db2.gz NMVYNCTZDBRBKU-MRVPVSSYSA-N -1 3 314.297 2.070 20 10 DECDHM [O-]c1c(Br)cccc1CN1CC[C@@H](n2cncn2)C1 ZINC000777220369 642247575 /nfs/dbraw/zinc/24/75/75/642247575.db2.gz HWBBVOIXPLIFHU-LLVKDONJSA-N -1 3 323.194 2.193 20 10 DECDHM Cc1cc(Br)c([O-])c(CN(C)Cc2nc[nH]n2)c1 ZINC000781912458 642797891 /nfs/dbraw/zinc/79/78/91/642797891.db2.gz QDEYFQWHSSUERJ-UHFFFAOYSA-N -1 3 311.183 2.213 20 10 DECDHM Cc1cc(Br)c([O-])c(CN(C)Cc2nnc[nH]2)c1 ZINC000781912458 642797895 /nfs/dbraw/zinc/79/78/95/642797895.db2.gz QDEYFQWHSSUERJ-UHFFFAOYSA-N -1 3 311.183 2.213 20 10 DECDHM CCn1c(CNC(=O)c2cccc(O)c2[O-])nc2ccccc21 ZINC000790483548 643858221 /nfs/dbraw/zinc/85/82/21/643858221.db2.gz SAUHYVSCPKZMCX-UHFFFAOYSA-N -1 3 311.341 2.397 20 10 DECDHM CSc1cc(O)ccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000792701955 644141273 /nfs/dbraw/zinc/14/12/73/644141273.db2.gz JBURSPLGIPZCIY-NSHDSACASA-N -1 3 317.432 2.425 20 10 DECDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCCNC1=O ZINC000816498852 647142769 /nfs/dbraw/zinc/14/27/69/647142769.db2.gz RGANTTMUGPOOAY-LBPRGKRZSA-N -1 3 300.761 2.285 20 10 DECDHM C[C@@H](Cc1ccncc1)NC(=O)NCc1c([O-])cccc1F ZINC000921336193 648292149 /nfs/dbraw/zinc/29/21/49/648292149.db2.gz FUQIOGLDDSJFCX-NSHDSACASA-N -1 3 303.337 2.357 20 10 DECDHM COC(=O)C[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000824826150 648658417 /nfs/dbraw/zinc/65/84/17/648658417.db2.gz XKWAYHGTYAUHDC-LBPRGKRZSA-N -1 3 313.781 2.118 20 10 DECDHM CN1CCCc2cc(CNC(=O)c3cccc4n[n-]nc43)ccc21 ZINC000182750791 648978431 /nfs/dbraw/zinc/97/84/31/648978431.db2.gz OGGIXMIYRWTDRO-UHFFFAOYSA-N -1 3 321.384 2.270 20 10 DECDHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(O)c1[O-] ZINC000830701607 649483162 /nfs/dbraw/zinc/48/31/62/649483162.db2.gz WFMXPCIYMZWEGT-GZMMTYOYSA-N -1 3 319.279 2.328 20 10 DECDHM Cc1ccc(O[C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)nc1 ZINC000858055855 652246039 /nfs/dbraw/zinc/24/60/39/652246039.db2.gz DXDJRUIIJHIGQJ-GFCCVEGCSA-N -1 3 314.341 2.095 20 10 DECDHM CCn1nccc1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000853093088 652500366 /nfs/dbraw/zinc/50/03/66/652500366.db2.gz BFNPCTCQQYBROZ-UHFFFAOYSA-N -1 3 310.741 2.460 20 10 DECDHM CCn1nc(C)c(CC(=O)NCc2c([O-])cccc2F)c1C ZINC000928706253 693830412 /nfs/dbraw/zinc/83/04/12/693830412.db2.gz PVEJGAZINGLNFY-UHFFFAOYSA-N -1 3 305.353 2.223 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN1c1nccs1 ZINC000928707113 693830624 /nfs/dbraw/zinc/83/06/24/693830624.db2.gz ACMQXCRDANDQQG-LBPRGKRZSA-N -1 3 321.377 2.273 20 10 DECDHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928709058 693830816 /nfs/dbraw/zinc/83/08/16/693830816.db2.gz WWHPTJFENMBYBL-SNVBAGLBSA-N -1 3 310.369 2.088 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@]1(O)CCc2ccccc2C1 ZINC000928709183 693831058 /nfs/dbraw/zinc/83/10/58/693831058.db2.gz XUWQCHCNEWEEMU-SFHVURJKSA-N -1 3 315.344 2.068 20 10 DECDHM CCC[C@@H](C)N1C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928710349 693831116 /nfs/dbraw/zinc/83/11/16/693831116.db2.gz BYMNDYKEBDHOGV-NEPJUHHUSA-N -1 3 322.380 2.185 20 10 DECDHM C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1c([O-])cccc1F ZINC000928710329 693831386 /nfs/dbraw/zinc/83/13/86/693831386.db2.gz BLLMQWQDYRCXRB-NEPJUHHUSA-N -1 3 311.353 2.122 20 10 DECDHM CC(C)C(=O)N1CCCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711201 693831999 /nfs/dbraw/zinc/83/19/99/693831999.db2.gz HITZMLHEXJEMOA-AWEZNQCLSA-N -1 3 322.380 2.185 20 10 DECDHM COC[C@H](C)n1ccc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000187522332 684339235 /nfs/dbraw/zinc/33/92/35/684339235.db2.gz ZDGGOKNPYQGDPH-JTQLQIEISA-N -1 3 305.334 2.062 20 10 DECDHM O=C1OC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]12 ZINC000862545474 686319171 /nfs/dbraw/zinc/31/91/71/686319171.db2.gz UMNPAENCSDSZAM-PSASIEDQSA-N -1 3 302.157 2.304 20 10 DECDHM O=C(CCc1cnn[nH]1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000868357539 687988416 /nfs/dbraw/zinc/98/84/16/687988416.db2.gz ACAMGRHCTVGBJM-UHFFFAOYSA-N -1 3 315.160 2.066 20 10 DECDHM [O-]c1c(CN2CCC([C@H](O)c3ncc[nH]3)CC2)ccc(F)c1F ZINC000877479716 690126522 /nfs/dbraw/zinc/12/65/22/690126522.db2.gz WXFSCALTKFHRAQ-HNNXBMFYSA-N -1 3 323.343 2.339 20 10 DECDHM C[C@H]1CN(C2CN(Cc3ccc(Cl)cc3[O-])C2)C[C@H](C)O1 ZINC001140468379 777201769 /nfs/dbraw/zinc/20/17/69/777201769.db2.gz ISXMOIBGFAJEIF-RYUDHWBXSA-N -1 3 310.825 2.339 20 10 DECDHM C[C@H]1CN(Cc2cc(Br)c(F)cc2[O-])CC[C@H]1O ZINC001144298958 790847780 /nfs/dbraw/zinc/84/77/80/790847780.db2.gz MRNGUPNSIFSCKV-QPUJVOFHSA-N -1 3 318.186 2.497 20 10 DECDHM CO[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@@H]1OC ZINC000234879306 791644955 /nfs/dbraw/zinc/64/49/55/791644955.db2.gz KCXHIYWAGRFKFN-TXEJJXNPSA-N -1 3 316.195 2.000 20 10 DECDHM Cc1nc([C@@H]2CCCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC001148214715 791710644 /nfs/dbraw/zinc/71/06/44/791710644.db2.gz VOPBIQUAEYAPEW-NSHDSACASA-N -1 3 303.318 2.157 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001148212141 791711126 /nfs/dbraw/zinc/71/11/26/791711126.db2.gz OBIRUMRFOIKYEP-LBPRGKRZSA-N -1 3 307.243 2.462 20 10 DECDHM CC1(c2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2)COC1 ZINC001148585839 791777488 /nfs/dbraw/zinc/77/74/88/791777488.db2.gz ABLXIUZPSZBUAA-UHFFFAOYSA-N -1 3 315.325 2.344 20 10 DECDHM N=C(NC(=O)c1cc(O)c([O-])c(O)c1)c1ccc2ccccc2n1 ZINC001148589712 791778601 /nfs/dbraw/zinc/77/86/01/791778601.db2.gz IHNYFNYQWVJLRW-UHFFFAOYSA-N -1 3 323.308 2.107 20 10 DECDHM COC[C@H]1CN(Cc2cccc(F)c2[O-])Cc2cn(C)nc21 ZINC001138125190 796167343 /nfs/dbraw/zinc/16/73/43/796167343.db2.gz KLBAOOZCVUPLQF-CYBMUJFWSA-N -1 3 305.353 2.011 20 10 DECDHM Cn1cnnc1C1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139686051 796410029 /nfs/dbraw/zinc/41/00/29/796410029.db2.gz LPXYCGZMPHEWPE-UHFFFAOYSA-N -1 3 308.332 2.179 20 10 DECDHM [O-]c1cc(Cl)ccc1CN1Cc2ccnn2CC[C@H]1CO ZINC001140464107 796525859 /nfs/dbraw/zinc/52/58/59/796525859.db2.gz BRWXNVGSXUWSJI-AWEZNQCLSA-N -1 3 307.781 2.009 20 10 DECDHM CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001195791390 797962421 /nfs/dbraw/zinc/96/24/21/797962421.db2.gz JWDQQWPDPDCJET-UHFFFAOYSA-N -1 3 320.414 2.279 20 10 DECDHM COc1ccnc(CNC(=O)NCc2c([O-])cccc2F)c1F ZINC001231201659 801605062 /nfs/dbraw/zinc/60/50/62/801605062.db2.gz AQRXSMSNLXWQDF-UHFFFAOYSA-N -1 3 323.299 2.073 20 10 DECDHM O=C([O-])c1ccc(C[NH+]2CCC3(CCCOC3)CC2)c([O-])c1 ZINC001231453140 801668917 /nfs/dbraw/zinc/66/89/17/801668917.db2.gz CICWTOKLVFYKRH-UHFFFAOYSA-N -1 3 305.374 2.483 20 10 DECDHM Cc1cc([O-])c(CN2CCN(c3ccncn3)CC2)cc1Cl ZINC001231870083 801742709 /nfs/dbraw/zinc/74/27/09/801742709.db2.gz IRLZVYYJVLZUSF-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)c([O-])cc1O ZINC001232257739 801831776 /nfs/dbraw/zinc/83/17/76/801831776.db2.gz IRJPBUFHLSRJQX-ZUZCIYMTSA-N -1 3 311.765 2.279 20 10 DECDHM COc1cc([O-])c(CN2CCN(C(=O)C3CC3)CC2)cc1Cl ZINC001232265402 801833859 /nfs/dbraw/zinc/83/38/59/801833859.db2.gz VRPIRGMPKPIBBD-UHFFFAOYSA-N -1 3 324.808 2.108 20 10 DECDHM COc1cc([O-])c(CN2CCCC(=O)C2)cc1Br ZINC001233140949 802035077 /nfs/dbraw/zinc/03/50/77/802035077.db2.gz ZGOZOWHOHZQXIO-UHFFFAOYSA-N -1 3 314.179 2.328 20 10 DECDHM Cc1cncnc1O[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336492 802080088 /nfs/dbraw/zinc/08/00/88/802080088.db2.gz NUFAGORKFPKARD-LLVKDONJSA-N -1 3 321.327 2.422 20 10 DECDHM COc1cc(Br)cc(C[NH2+][C@H](C)CC(=O)[O-])c1[O-] ZINC001594049933 957969654 /nfs/dbraw/zinc/96/96/54/957969654.db2.gz DZKCULSETWWDOS-SSDOTTSWSA-N -1 3 318.167 2.116 20 10 DECDHM COc1ccc(N2CCN(CC3(CC(=O)[O-])CC3)CC2)cc1 ZINC000315789515 963936328 /nfs/dbraw/zinc/93/63/28/963936328.db2.gz UBUFEXBECQZKOS-UHFFFAOYSA-N -1 3 304.390 2.072 20 10 DECDHM C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593267055 994585153 /nfs/dbraw/zinc/58/51/53/994585153.db2.gz JNKDTZYYLZPDEZ-SECBINFHSA-N -1 3 320.311 2.235 20 10 DECDHM C[C@H]([NH2+]C[C@H]1CCCS1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603655791 1070022196 /nfs/dbraw/zinc/02/21/96/1070022196.db2.gz ARJWKJSZCFONDV-VHSXEESVSA-N -1 3 305.407 2.119 20 10 DECDHM C[C@@H]([NH2+]CC[C@H]1CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661906 1070031504 /nfs/dbraw/zinc/03/15/04/1070031504.db2.gz DDNMAHXYXQSYKT-MNOVXSKESA-N -1 3 319.434 2.366 20 10 DECDHM C[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604332145 1070332620 /nfs/dbraw/zinc/33/26/20/1070332620.db2.gz IDVWYCUKXDOQPR-IAQYHMDHSA-N -1 3 300.358 2.441 20 10 DECDHM C[C@H]1[C@H](CO)CCN1Cc1cc(Br)cc(F)c1[O-] ZINC001308724550 1147484189 /nfs/dbraw/zinc/48/41/89/1147484189.db2.gz SYCRNSGKNOPDKV-IUCAKERBSA-N -1 3 318.186 2.497 20 10 DECDHM CC(C)c1nc([C@@H](CO)NC(=O)c2cccc(O)c2[O-])cs1 ZINC001452570865 1057107512 /nfs/dbraw/zinc/10/75/12/1057107512.db2.gz WWUXHZFQJQROHK-SNVBAGLBSA-N -1 3 322.386 2.141 20 10 DECDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])C[C@@]2(CCCOC2)O1 ZINC001462156939 1058769846 /nfs/dbraw/zinc/76/98/46/1058769846.db2.gz VKMSSGYQOZRPRV-MEDUHNTESA-N -1 3 313.344 2.440 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1c1cccc(F)c1 ZINC001470147784 1060059042 /nfs/dbraw/zinc/05/90/42/1060059042.db2.gz NXQPTBXKTZBGGM-AWEZNQCLSA-N -1 3 317.316 2.451 20 10 DECDHM CN(C)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1C=O ZINC001471976332 1060353840 /nfs/dbraw/zinc/35/38/40/1060353840.db2.gz WTWLELQOFLLFQH-UHFFFAOYSA-N -1 3 316.332 2.340 20 10 DECDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccccc1O ZINC001622461306 1078189486 /nfs/dbraw/zinc/18/94/86/1078189486.db2.gz WRVHSJVURRTFQU-QMMMGPOBSA-N -1 3 314.313 2.105 20 10 DECDHM C[S@@](=N)(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001570259982 1065994335 /nfs/dbraw/zinc/99/43/35/1065994335.db2.gz LGFDUXRNPWLYCT-OAQYLSRUSA-N -1 3 306.343 2.386 20 10 DECDHM O=C(NCCc1ccnn1-c1ccccc1)c1cccc(O)c1[O-] ZINC001558407455 1075092708 /nfs/dbraw/zinc/09/27/08/1075092708.db2.gz DMHDJJAIAKGRAY-UHFFFAOYSA-N -1 3 323.352 2.256 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1sccc1-n1ccnn1 ZINC001558454216 1075094594 /nfs/dbraw/zinc/09/45/94/1075094594.db2.gz BTQGLFGYYBMNHM-UHFFFAOYSA-N -1 3 318.333 2.104 20 10 DECDHM C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cccc(O)c1[O-] ZINC001566701070 1075320697 /nfs/dbraw/zinc/32/06/97/1075320697.db2.gz SUPKVDQQWAGVJL-SKDRFNHKSA-N -1 3 307.371 2.401 20 10 DECDHM CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464875 1076632569 /nfs/dbraw/zinc/63/25/69/1076632569.db2.gz QSDGRFKTFZEDSG-SMDDNHRTSA-N -1 3 319.409 2.286 20 10 DECDHM NC(=O)C[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001620950696 1077054036 /nfs/dbraw/zinc/05/40/36/1077054036.db2.gz KONPHKPQBYNGSB-CQSZACIVSA-N -1 3 306.312 2.377 20 10 DECDHM C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781269 1077922622 /nfs/dbraw/zinc/92/26/22/1077922622.db2.gz WTKVDUQWUYCGEX-JRPNMDOOSA-N -1 3 304.390 2.224 20 10 DECDHM COc1ccc([C@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])cc1O ZINC001610325068 1078003812 /nfs/dbraw/zinc/00/38/12/1078003812.db2.gz OSSKOEGCIMPCAP-HNNXBMFYSA-N -1 3 321.304 2.161 20 10 DECDHM COc1cc(C(=O)NCc2c([O-])cccc2F)ccc1[N+](=O)[O-] ZINC001652295446 1079865163 /nfs/dbraw/zinc/86/51/63/1079865163.db2.gz JHBUOZQIWWRGKX-UHFFFAOYSA-N -1 3 320.276 2.378 20 10 DECDHM [O-]c1c(F)cccc1CN1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001276538628 1083484854 /nfs/dbraw/zinc/48/48/54/1083484854.db2.gz YPENTEUSYBKSFV-GASCZTMLSA-N -1 3 316.380 2.103 20 10 DECDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H](CO)C1 ZINC001235299314 1084378322 /nfs/dbraw/zinc/37/83/22/1084378322.db2.gz UCMPEFNLUCWQDW-VIFPVBQESA-N -1 3 318.186 2.498 20 10 DECDHM CCCN(CC(=O)NC)Cc1c([O-])cccc1Br ZINC000707153395 1086662340 /nfs/dbraw/zinc/66/23/40/1086662340.db2.gz WMQXNHPGAVCFMH-UHFFFAOYSA-N -1 3 315.211 2.113 20 10 DECDHM COc1cc([O-])c(CN2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC001236797532 1138431130 /nfs/dbraw/zinc/43/11/30/1138431130.db2.gz FXXWMJAPXGRNLZ-OAHLLOKOSA-N -1 3 313.781 2.046 20 10 DECDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001237798801 1138791281 /nfs/dbraw/zinc/79/12/81/1138791281.db2.gz BJTHKSLCFBPYIW-CHWSQXEVSA-N -1 3 312.772 2.380 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000287943200 296253876 /nfs/dbraw/zinc/25/38/76/296253876.db2.gz RQUBSOJQBRBUNQ-CYBMUJFWSA-N -1 3 319.279 2.017 20 10 DECDHM COc1c(C)cnc(CN(C)C(=O)c2cccc(O)c2[O-])c1C ZINC000192992682 533409793 /nfs/dbraw/zinc/40/97/93/533409793.db2.gz UGPCDLXDCAKSNI-UHFFFAOYSA-N -1 3 316.357 2.390 20 10 DECDHM CCc1nnc([C@@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])[nH]1 ZINC000273347974 130109733 /nfs/dbraw/zinc/10/97/33/130109733.db2.gz BCSJNDAPNXTHIH-VHSXEESVSA-N -1 3 318.377 2.271 20 10 DECDHM CCc1nc([C@@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])n[nH]1 ZINC000273347974 130109735 /nfs/dbraw/zinc/10/97/35/130109735.db2.gz BCSJNDAPNXTHIH-VHSXEESVSA-N -1 3 318.377 2.271 20 10 DECDHM COC(=O)[C@@]1(F)CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000273703527 130154800 /nfs/dbraw/zinc/15/48/00/130154800.db2.gz DRLGYZBYYYONQH-CQSZACIVSA-N -1 3 317.744 2.141 20 10 DECDHM O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cccc(O)c1[O-] ZINC000274922881 130274407 /nfs/dbraw/zinc/27/44/07/130274407.db2.gz BCMBPYPRJXCBFU-GFCCVEGCSA-N -1 3 300.314 2.006 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2nncn2C)c1[O-] ZINC000275202683 130298431 /nfs/dbraw/zinc/29/84/31/130298431.db2.gz QRXSZJNZLPSHAA-MRVPVSSYSA-N -1 3 308.769 2.228 20 10 DECDHM Cc1cnn(C)c1CNCc1cccc(Br)c1[O-] ZINC000289547990 131395050 /nfs/dbraw/zinc/39/50/50/131395050.db2.gz GBBQPWVZSKKZSI-UHFFFAOYSA-N -1 3 310.195 2.486 20 10 DECDHM COc1cc(Cl)cc(CN2CCCN(C(C)=O)CC2)c1[O-] ZINC000184676224 402290788 /nfs/dbraw/zinc/29/07/88/402290788.db2.gz PHBYUCHWOKHTFF-UHFFFAOYSA-N -1 3 312.797 2.108 20 10 DECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(C)(C)O ZINC000185847983 402382236 /nfs/dbraw/zinc/38/22/36/402382236.db2.gz XDSWBJQFAJMTEE-UHFFFAOYSA-N -1 3 316.195 2.274 20 10 DECDHM Cc1ccc(C(=O)Nc2cccnc2-n2cccn2)c([O-])c1O ZINC000179421191 402589254 /nfs/dbraw/zinc/58/92/54/402589254.db2.gz AMJLCAAEEDFDGL-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM CCn1ncnc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000193425908 402770989 /nfs/dbraw/zinc/77/09/89/402770989.db2.gz CZIWZBJRHUTXDJ-OAHLLOKOSA-N -1 3 316.405 2.185 20 10 DECDHM CCCOc1ccc(CN2CCOC[C@@]23CCOC3)c([O-])c1 ZINC000195017341 402826960 /nfs/dbraw/zinc/82/69/60/402826960.db2.gz DVNJZAMYZPGMTK-KRWDZBQOSA-N -1 3 307.390 2.172 20 10 DECDHM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000278552956 402868231 /nfs/dbraw/zinc/86/82/31/402868231.db2.gz PMJVLHAGKPFXIQ-KRWDZBQOSA-N -1 3 321.373 2.149 20 10 DECDHM CN(C)[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccsc1 ZINC000279517299 402950979 /nfs/dbraw/zinc/95/09/79/402950979.db2.gz JWPQHGGXXDCVTP-GFCCVEGCSA-N -1 3 306.387 2.192 20 10 DECDHM COC[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCCO1 ZINC000279141211 402908714 /nfs/dbraw/zinc/90/87/14/402908714.db2.gz XKZRKKULJXHNRV-HUUCEWRRSA-N -1 3 311.353 2.018 20 10 DECDHM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280601488 403017595 /nfs/dbraw/zinc/01/75/95/403017595.db2.gz YFKMIVBDSNYOLH-LBPRGKRZSA-N -1 3 321.373 2.292 20 10 DECDHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000274918694 403096696 /nfs/dbraw/zinc/09/66/96/403096696.db2.gz WUKYNNVLESDWAH-CQSZACIVSA-N -1 3 312.369 2.102 20 10 DECDHM Cn1nccc1[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000282287323 403139972 /nfs/dbraw/zinc/13/99/72/403139972.db2.gz XAXLUJZXTVXEBU-CYBMUJFWSA-N -1 3 301.346 2.199 20 10 DECDHM [O-]c1ccc(F)cc1CN[C@@]1(CO)CCOc2ccccc21 ZINC000282490947 403155681 /nfs/dbraw/zinc/15/56/81/403155681.db2.gz XMMGPBPICWAZAW-QGZVFWFLSA-N -1 3 303.333 2.291 20 10 DECDHM C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000276494593 403180910 /nfs/dbraw/zinc/18/09/10/403180910.db2.gz BGAMBHGAWWKIMM-QWRGUYRKSA-N -1 3 310.369 2.087 20 10 DECDHM [O-]c1cccc(Cl)c1CN1CCN(C[C@H]2CCOC2)CC1 ZINC000271193935 403276732 /nfs/dbraw/zinc/27/67/32/403276732.db2.gz RTYZVDMXDWPLOC-CYBMUJFWSA-N -1 3 310.825 2.200 20 10 DECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1OCC1CC1 ZINC000292446748 403360854 /nfs/dbraw/zinc/36/08/54/403360854.db2.gz KLWUIUZACHDUDK-UHFFFAOYSA-N -1 3 310.737 2.151 20 10 DECDHM Cc1ccc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c([O-])c1O ZINC000286014256 403431202 /nfs/dbraw/zinc/43/12/02/403431202.db2.gz NTNLPSZQPATBTO-ZDUSSCGKSA-N -1 3 301.346 2.497 20 10 DECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C(C)(F)F ZINC000293381146 403457322 /nfs/dbraw/zinc/45/73/22/403457322.db2.gz DYOBZUXZRZTJKP-UHFFFAOYSA-N -1 3 321.707 2.202 20 10 DECDHM CC[C@H](COCC(F)(F)F)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000296020168 404054521 /nfs/dbraw/zinc/05/45/21/404054521.db2.gz LCHOPJGFYWNPJZ-SECBINFHSA-N -1 3 321.295 2.494 20 10 DECDHM Cc1cc(Br)cc(CN[C@@]2(C)CCOC2=O)c1[O-] ZINC000291044581 404371585 /nfs/dbraw/zinc/37/15/85/404371585.db2.gz ZJQGFSFFXVXLIW-ZDUSSCGKSA-N -1 3 314.179 2.258 20 10 DECDHM CO[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000492774252 405514580 /nfs/dbraw/zinc/51/45/80/405514580.db2.gz XHJCWCPGPPYISL-MWWKQMNYSA-N -1 3 310.353 2.405 20 10 DECDHM COC(=O)C[C@H]1COCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000377869885 533735273 /nfs/dbraw/zinc/73/52/73/533735273.db2.gz RLOLVGLPVNCCCB-ZDUSSCGKSA-N -1 3 313.781 2.118 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2nncn2C)c1[O-] ZINC000156588436 518283314 /nfs/dbraw/zinc/28/33/14/518283314.db2.gz BVTMPQMGVICURP-CQSZACIVSA-N -1 3 318.352 2.200 20 10 DECDHM Cc1ccc(C(=O)NC(C)(C)C(=O)NCC(C)(C)C)c([O-])c1O ZINC000182854722 526146752 /nfs/dbraw/zinc/14/67/52/526146752.db2.gz TUCKJHOINWOBET-UHFFFAOYSA-N -1 3 322.405 2.077 20 10 DECDHM Cc1ccc(C(=O)NC[C@H](CCO)c2ccccc2)c([O-])c1O ZINC000182585882 526178597 /nfs/dbraw/zinc/17/85/97/526178597.db2.gz VXNRKOUFOFHJHD-AWEZNQCLSA-N -1 3 315.369 2.302 20 10 DECDHM Cc1ccc(C(=O)N[C@@H](C)CC(=O)c2ccco2)c([O-])c1O ZINC000182604851 526192751 /nfs/dbraw/zinc/19/27/51/526192751.db2.gz OXNLVKLNYFJKGM-JTQLQIEISA-N -1 3 303.314 2.391 20 10 DECDHM NC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000158610604 526857904 /nfs/dbraw/zinc/85/79/04/526857904.db2.gz SLNNPAICZMMXPQ-UHFFFAOYSA-N -1 3 303.189 2.396 20 10 DECDHM CCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736489308 598610013 /nfs/dbraw/zinc/61/00/13/598610013.db2.gz ZHALAVBPTPAOIU-UHFFFAOYSA-N -1 3 324.388 2.414 20 10 DECDHM CS(=O)(=O)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000311679157 625422792 /nfs/dbraw/zinc/42/27/92/625422792.db2.gz QODJJVWCFNNCEE-UHFFFAOYSA-N -1 3 303.811 2.055 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000189167795 625466088 /nfs/dbraw/zinc/46/60/88/625466088.db2.gz YZTNXXHZUPVNLO-SECBINFHSA-N -1 3 302.286 2.497 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(OCCCO)cc2)c([O-])c1O ZINC000804758603 623226375 /nfs/dbraw/zinc/22/63/75/623226375.db2.gz JLNQLBMLOQBILZ-UHFFFAOYSA-N -1 3 317.341 2.420 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCCn2ccnc21 ZINC000921569884 633724553 /nfs/dbraw/zinc/72/45/53/633724553.db2.gz CDFFACLGLZSLJU-NSHDSACASA-N -1 3 318.352 2.105 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000921636772 633841392 /nfs/dbraw/zinc/84/13/92/633841392.db2.gz QARNRMRYSNURPY-VQISRLSMSA-N -1 3 320.364 2.288 20 10 DECDHM CCOC(=O)N1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893984241 636083318 /nfs/dbraw/zinc/08/33/18/636083318.db2.gz MBYVANXWPRBOEM-UHFFFAOYSA-N -1 3 314.332 2.335 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3cccc(C)c3C(=O)N2)c1 ZINC000726796780 636471080 /nfs/dbraw/zinc/47/10/80/636471080.db2.gz DROPUBNLHFCXNI-OAHLLOKOSA-N -1 3 312.325 2.341 20 10 DECDHM CN(C)c1ccc(CN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000186786708 636565364 /nfs/dbraw/zinc/56/53/64/636565364.db2.gz FABDHDVSBJTIAG-UHFFFAOYSA-N -1 3 300.358 2.436 20 10 DECDHM O=S1(=O)CCN(Cc2cc(F)ccc2[O-])CCC12CCC2 ZINC000840969916 650397112 /nfs/dbraw/zinc/39/71/12/650397112.db2.gz MSMKUHLHNXWCDR-UHFFFAOYSA-N -1 3 313.394 2.075 20 10 DECDHM C[C@@H](NCc1cn(C)nn1)c1ccc(Br)cc1[O-] ZINC000757653727 639864257 /nfs/dbraw/zinc/86/42/57/639864257.db2.gz BMKSFHQYLPXVHK-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)CN1CCO ZINC000841891365 650594397 /nfs/dbraw/zinc/59/43/97/650594397.db2.gz KQVRRJZDCXUUSE-QWRGUYRKSA-N -1 3 316.804 2.072 20 10 DECDHM COC(=O)c1cc(C2CN(Cc3cccc(Cl)c3[O-])C2)[nH]n1 ZINC000898004837 640990752 /nfs/dbraw/zinc/99/07/52/640990752.db2.gz NRAWDCSULUBSEF-UHFFFAOYSA-N -1 3 321.764 2.155 20 10 DECDHM C[C@@H](NCc1nnnn1CC1CC1)c1cc(Cl)ccc1[O-] ZINC000769989069 641317974 /nfs/dbraw/zinc/31/79/74/641317974.db2.gz PHCLGYCBAPVPJA-SECBINFHSA-N -1 3 307.785 2.293 20 10 DECDHM COc1c([O-])c(CN2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000775097977 642006642 /nfs/dbraw/zinc/00/66/42/642006642.db2.gz MZYHPYDOKTVONP-AXFHLTTASA-N -1 3 310.350 2.307 20 10 DECDHM [O-]c1c(Cl)cccc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000775645699 642071525 /nfs/dbraw/zinc/07/15/25/642071525.db2.gz FQTNIWBDZGZCAJ-CQSZACIVSA-N -1 3 310.825 2.342 20 10 DECDHM CN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCCCNC1=O ZINC000775666984 642075200 /nfs/dbraw/zinc/07/52/00/642075200.db2.gz BSAMYUIGCMVPIR-LBPRGKRZSA-N -1 3 300.761 2.285 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c([O-])c1O ZINC000780875995 642683815 /nfs/dbraw/zinc/68/38/15/642683815.db2.gz PVGSBOJZXPPWJS-UHFFFAOYSA-N -1 3 320.732 2.411 20 10 DECDHM COCCO[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000783715163 643041763 /nfs/dbraw/zinc/04/17/63/643041763.db2.gz INKZSINJZSARDF-LBPRGKRZSA-N -1 3 303.761 2.422 20 10 DECDHM C[C@@H](NCc1cccc(Br)c1[O-])c1ncnn1C ZINC000788972038 643666794 /nfs/dbraw/zinc/66/67/94/643666794.db2.gz UCSMIABXKQNIHJ-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM CC(=O)N(C)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000790746375 643888435 /nfs/dbraw/zinc/88/84/35/643888435.db2.gz RTTPBVUBPLBBQM-UHFFFAOYSA-N -1 3 300.314 2.333 20 10 DECDHM CC[C@](C)(CCCNC(=O)c1cccc(O)c1[O-])C1OCCO1 ZINC000790804463 643896848 /nfs/dbraw/zinc/89/68/48/643896848.db2.gz FZJZCABRRZTPSV-QGZVFWFLSA-N -1 3 323.389 2.397 20 10 DECDHM O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1cccc(O)c1[O-] ZINC000807852396 645997753 /nfs/dbraw/zinc/99/77/53/645997753.db2.gz AAAOEISWBXAANF-LLVKDONJSA-N -1 3 321.760 2.257 20 10 DECDHM COC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])c1ccn(C)n1 ZINC000825659558 648795629 /nfs/dbraw/zinc/79/56/29/648795629.db2.gz ZJYRUVJWGZZUKK-AWEZNQCLSA-N -1 3 323.780 2.091 20 10 DECDHM Cc1cc([O-])c(CN2CCS(=O)(=O)C[C@@H](C)C2)cc1Cl ZINC000825699799 648801968 /nfs/dbraw/zinc/80/19/68/648801968.db2.gz XXIIYDDQIZZRIH-JTQLQIEISA-N -1 3 317.838 2.221 20 10 DECDHM Cc1ccc(C(=O)Nc2cnn(Cc3ccncc3)c2)c([O-])c1O ZINC000182277046 648862924 /nfs/dbraw/zinc/86/29/24/648862924.db2.gz WURWGWUYMUCHOW-UHFFFAOYSA-N -1 3 324.340 2.298 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000826957844 648952577 /nfs/dbraw/zinc/95/25/77/648952577.db2.gz IKTMXAHSVOVZCR-LLVKDONJSA-N -1 3 322.149 2.357 20 10 DECDHM O=C1CC[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)CC[C@@H]2N1 ZINC000827132096 648978648 /nfs/dbraw/zinc/97/86/48/648978648.db2.gz KJJPTLYZZISSTG-CABZTGNLSA-N -1 3 312.772 2.285 20 10 DECDHM O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000848345979 651453459 /nfs/dbraw/zinc/45/34/59/651453459.db2.gz AODPFBURTFAYBI-LDYMZIIASA-N -1 3 319.279 2.328 20 10 DECDHM COC(=O)CN(CCOC(F)F)Cc1cc(Cl)ccc1[O-] ZINC000851841725 652255793 /nfs/dbraw/zinc/25/57/93/652255793.db2.gz XLIUOMXNBZDQAQ-UHFFFAOYSA-N -1 3 323.723 2.260 20 10 DECDHM Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928704866 693830119 /nfs/dbraw/zinc/83/01/19/693830119.db2.gz FYCCANWJYXMWTE-JTQLQIEISA-N -1 3 319.380 2.377 20 10 DECDHM C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1c([O-])cccc1F ZINC000928710332 693831377 /nfs/dbraw/zinc/83/13/77/693831377.db2.gz BLLMQWQDYRCXRB-VXGBXAGGSA-N -1 3 311.353 2.122 20 10 DECDHM CCN(CC(=O)OC)Cc1c([O-])cccc1Br ZINC000862238990 686262459 /nfs/dbraw/zinc/26/24/59/686262459.db2.gz QVNOXSHAXINRKF-UHFFFAOYSA-N -1 3 302.168 2.150 20 10 DECDHM [O-]c1cccc(Br)c1CN1CCO[C@@H](CF)C1 ZINC000862392451 686291425 /nfs/dbraw/zinc/29/14/25/686291425.db2.gz JRBKCLSEZPTANL-VIFPVBQESA-N -1 3 304.159 2.325 20 10 DECDHM COC(=O)C1(C)CN(Cc2c([O-])cccc2Br)C1 ZINC000862397920 686292007 /nfs/dbraw/zinc/29/20/07/686292007.db2.gz QHTGTCMWQKPCSA-UHFFFAOYSA-N -1 3 314.179 2.150 20 10 DECDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](CC(C)C)C(N)=O)c1[O-] ZINC000880590946 690936185 /nfs/dbraw/zinc/93/61/85/690936185.db2.gz RICLBDHKLAHZSC-AWEZNQCLSA-N -1 3 310.369 2.066 20 10 DECDHM Cn1nc2c(c1NC(=O)NCc1c([O-])cccc1F)CCCC2 ZINC000932176352 694567483 /nfs/dbraw/zinc/56/74/83/694567483.db2.gz ZEIOBCDGYCOHKA-UHFFFAOYSA-N -1 3 318.352 2.465 20 10 DECDHM COC(=O)[C@H](c1ccccc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC001445492354 1183885852 /nfs/dbraw/zinc/88/58/52/1183885852.db2.gz ZKDVOYIHVIMZME-AWEZNQCLSA-N -1 3 315.325 2.084 20 10 DECDHM Cc1cc2c(cc1CNC(=O)c1cccc(O)c1[O-])OCCO2 ZINC001148212571 791711241 /nfs/dbraw/zinc/71/12/41/791711241.db2.gz DWWKFVLEXHHVLT-UHFFFAOYSA-N -1 3 315.325 2.107 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCN2CCc3ccccc3[C@H]2C1 ZINC001148218424 791713035 /nfs/dbraw/zinc/71/30/35/791713035.db2.gz CGWBJLGOUQCACN-MRXNPFEDSA-N -1 3 324.380 2.153 20 10 DECDHM COc1ccc([C@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)c(F)c1 ZINC001148590013 791778221 /nfs/dbraw/zinc/77/82/21/791778221.db2.gz VLPKCOKYIWHBPD-QMMMGPOBSA-N -1 3 321.304 2.442 20 10 DECDHM C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1cccc(N(C)C)c1 ZINC001148590253 791778838 /nfs/dbraw/zinc/77/88/38/791778838.db2.gz GBWXMTWHWNVHNG-JTQLQIEISA-N -1 3 316.357 2.360 20 10 DECDHM COC[C@@H]1CN(Cc2cc(F)ccc2[O-])Cc2ncn(C)c21 ZINC001140054300 796470735 /nfs/dbraw/zinc/47/07/35/796470735.db2.gz PADSACVDRDXLMQ-LBPRGKRZSA-N -1 3 305.353 2.011 20 10 DECDHM O=C(N1CCN(Cc2ccc(Cl)cc2[O-])CC1)C(F)(F)F ZINC001140462578 796525597 /nfs/dbraw/zinc/52/55/97/796525597.db2.gz IPMYZNMHDLPHLQ-UHFFFAOYSA-N -1 3 322.714 2.252 20 10 DECDHM [O-]c1cc(Cl)ccc1CN1CCN(c2ncccn2)CC1 ZINC001140461819 796526136 /nfs/dbraw/zinc/52/61/36/796526136.db2.gz UNARNGOPRNQUHX-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM O=C(Cn1cccn1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142157701 796718096 /nfs/dbraw/zinc/71/80/96/796718096.db2.gz FPZLCYDBCVPMHJ-UHFFFAOYSA-N -1 3 316.748 2.107 20 10 DECDHM O=C(CNc1cc(N2CCCC2)ccn1)c1ccc([O-])c(O)c1 ZINC001159279720 798544934 /nfs/dbraw/zinc/54/49/34/798544934.db2.gz VSHNVTBCJGJQQB-UHFFFAOYSA-N -1 3 313.357 2.388 20 10 DECDHM Cn1nccc1[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001207684852 800806217 /nfs/dbraw/zinc/80/62/17/800806217.db2.gz KACHYNPULZPRIH-HNNXBMFYSA-N -1 3 307.781 2.353 20 10 DECDHM O=C1c2cccc(OC[C@H]3CCO3)c2C(=O)c2cccc([O-])c21 ZINC001229186600 801238740 /nfs/dbraw/zinc/23/87/40/801238740.db2.gz MPNRMGQHUPKXBW-SNVBAGLBSA-N -1 3 310.305 2.335 20 10 DECDHM Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)o1 ZINC001231454162 801669407 /nfs/dbraw/zinc/66/94/07/801669407.db2.gz OOGRCSHNXHALFR-ZDUSSCGKSA-N -1 3 317.345 2.161 20 10 DECDHM Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)o1 ZINC001231454162 801669409 /nfs/dbraw/zinc/66/94/09/801669409.db2.gz OOGRCSHNXHALFR-ZDUSSCGKSA-N -1 3 317.345 2.161 20 10 DECDHM CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231566369 801688469 /nfs/dbraw/zinc/68/84/69/801688469.db2.gz ZVAALWXNAYPJDL-ZDUSSCGKSA-N -1 3 321.373 2.256 20 10 DECDHM CCOC(=O)[C@H]1CCCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C1 ZINC001231566369 801688472 /nfs/dbraw/zinc/68/84/72/801688472.db2.gz ZVAALWXNAYPJDL-ZDUSSCGKSA-N -1 3 321.373 2.256 20 10 DECDHM COc1cnc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c(C)c1 ZINC001215328568 801837020 /nfs/dbraw/zinc/83/70/20/801837020.db2.gz LCZLWAQODZBCGG-UHFFFAOYSA-N -1 3 315.285 2.232 20 10 DECDHM COc1ncc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1C ZINC001215327891 801837390 /nfs/dbraw/zinc/83/73/90/801837390.db2.gz YYPRJPIQHOHFBN-UHFFFAOYSA-N -1 3 315.285 2.232 20 10 DECDHM O=C1c2cccc(OC[C@H]3C[C@@H](O)C3)c2C(=O)c2cccc([O-])c21 ZINC001218433432 802183230 /nfs/dbraw/zinc/18/32/30/802183230.db2.gz LGHPALKBFDZENB-PHIMTYICSA-N -1 3 324.332 2.317 20 10 DECDHM COC(=O)[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937236 803296969 /nfs/dbraw/zinc/29/69/69/803296969.db2.gz GMKXKKLQNYHDNQ-SNVBAGLBSA-N -1 3 316.309 2.269 20 10 DECDHM CCOCCC[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](C)C(=O)[O-] ZINC001596915326 985942631 /nfs/dbraw/zinc/94/26/31/985942631.db2.gz WGBZPQCOKRKSER-LBPRGKRZSA-N -1 3 313.369 2.481 20 10 DECDHM CCOCCC[N@H+](Cc1cc(F)ccc1[O-])C[C@H](C)C(=O)[O-] ZINC001596915326 985942643 /nfs/dbraw/zinc/94/26/43/985942643.db2.gz WGBZPQCOKRKSER-LBPRGKRZSA-N -1 3 313.369 2.481 20 10 DECDHM COc1cccc(C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])c1 ZINC001599670078 994794750 /nfs/dbraw/zinc/79/47/50/994794750.db2.gz NLBQHZNRWNGQQB-HNNXBMFYSA-N -1 3 319.332 2.325 20 10 DECDHM CC[C@@H]([NH2+]C[C@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056249 1070189151 /nfs/dbraw/zinc/18/91/51/1070189151.db2.gz RLNSFKDYIUOPDM-BXUZGUMPSA-N -1 3 317.393 2.040 20 10 DECDHM CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056494 1070191322 /nfs/dbraw/zinc/19/13/22/1070191322.db2.gz ULWQBYFWZHOBCB-SUNKGSAMSA-N -1 3 317.393 2.181 20 10 DECDHM COC(C)(C)[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604995480 1070558093 /nfs/dbraw/zinc/55/80/93/1070558093.db2.gz IXYAHMKSIKZDPQ-ZJUUUORDSA-N -1 3 305.382 2.036 20 10 DECDHM CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c([O-])c1 ZINC001605690794 1070842061 /nfs/dbraw/zinc/84/20/61/1070842061.db2.gz QXJZXTPDDXJSKS-PJODQICGSA-N -1 3 305.374 2.476 20 10 DECDHM CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c([O-])c1 ZINC001605690794 1070842088 /nfs/dbraw/zinc/84/20/88/1070842088.db2.gz QXJZXTPDDXJSKS-PJODQICGSA-N -1 3 305.374 2.476 20 10 DECDHM COC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])cnc1C ZINC001472456454 1060514387 /nfs/dbraw/zinc/51/43/87/1060514387.db2.gz VQFDSTBSQWCUIV-UHFFFAOYSA-N -1 3 316.313 2.149 20 10 DECDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001472755341 1060578404 /nfs/dbraw/zinc/57/84/04/1060578404.db2.gz UQTDSOQGXQDLSU-MRVPVSSYSA-N -1 3 305.290 2.150 20 10 DECDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001475585785 1061017782 /nfs/dbraw/zinc/01/77/82/1061017782.db2.gz JCOAIKUZRMQXLE-JTQLQIEISA-N -1 3 322.342 2.340 20 10 DECDHM O=C(Nc1ccc(-c2nc[nH]n2)cc1F)c1cccc(O)c1[O-] ZINC001568292948 1064758672 /nfs/dbraw/zinc/75/86/72/1064758672.db2.gz ZPGSXJAZVSBZBG-UHFFFAOYSA-N -1 3 314.276 2.274 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCc2c1cccc2[N+](=O)[O-] ZINC001634190284 1078422049 /nfs/dbraw/zinc/42/20/49/1078422049.db2.gz WIIONRLXTVPOQH-UHFFFAOYSA-N -1 3 300.270 2.209 20 10 DECDHM C[C@@H](CC(N)=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001639601211 1078620787 /nfs/dbraw/zinc/62/07/87/1078620787.db2.gz SJPRDEVWEACDCE-JTQLQIEISA-N -1 3 314.341 2.329 20 10 DECDHM CC(C)(NC(=O)c1cccc(O)c1[O-])C(=O)Nc1ccccc1 ZINC001647753468 1074981193 /nfs/dbraw/zinc/98/11/93/1074981193.db2.gz APINIXMIWIQGFT-UHFFFAOYSA-N -1 3 314.341 2.245 20 10 DECDHM CC[C@@H]([NH2+]CC1(COC)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466556 1076633386 /nfs/dbraw/zinc/63/33/86/1076633386.db2.gz YIWSSNDTIOISOW-CYBMUJFWSA-N -1 3 317.393 2.040 20 10 DECDHM CC[C@H]([NH2+]CCc1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590471105 1076635911 /nfs/dbraw/zinc/63/59/11/1076635911.db2.gz WHVVKWNQKZJXOB-HNNXBMFYSA-N -1 3 324.388 2.251 20 10 DECDHM CO[C@](C)(C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C1CC1 ZINC001591317589 1076720904 /nfs/dbraw/zinc/72/09/04/1076720904.db2.gz GNVVPXVCXUVMAA-MGPLVRAMSA-N -1 3 317.393 2.038 20 10 DECDHM O=C(Cc1ccc2c(c1)OCO2)NCc1c([O-])cccc1F ZINC001596910971 1077084625 /nfs/dbraw/zinc/08/46/25/1077084625.db2.gz BMIPUSYLXSQHBC-UHFFFAOYSA-N -1 3 303.289 2.119 20 10 DECDHM CNC(=O)Nc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001652297914 1079864351 /nfs/dbraw/zinc/86/43/51/1079864351.db2.gz BBVGAMUCRJVLCD-UHFFFAOYSA-N -1 3 317.320 2.213 20 10 DECDHM NC(=O)[C@@H](F)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001653048217 1079910923 /nfs/dbraw/zinc/91/09/23/1079910923.db2.gz OFLAGNLANCBUFX-ZDUSSCGKSA-N -1 3 318.751 2.220 20 10 DECDHM CN1c2ccccc2C[C@H](NCc2cc(F)cc(F)c2[O-])C1=O ZINC001657658817 1080182225 /nfs/dbraw/zinc/18/22/25/1080182225.db2.gz PIHVRWWPUVIYRT-AWEZNQCLSA-N -1 3 318.323 2.348 20 10 DECDHM CC(C)(C)NC(=O)[C@H]1CC12CN(Cc1c([O-])cccc1F)C2 ZINC001277485310 1083999448 /nfs/dbraw/zinc/99/94/48/1083999448.db2.gz ZDOUBCNYZXBFCR-GFCCVEGCSA-N -1 3 306.381 2.268 20 10 DECDHM [O-]c1cccc(F)c1CN1CCC(Oc2ncccn2)CC1 ZINC001137837675 1086616994 /nfs/dbraw/zinc/61/69/94/1086616994.db2.gz QPWFGUBAYOLLLL-UHFFFAOYSA-N -1 3 303.337 2.365 20 10 DECDHM [O-]c1cccc(F)c1CN1CCN(c2nccc(Cl)n2)CC1 ZINC001137838686 1086634495 /nfs/dbraw/zinc/63/44/95/1086634495.db2.gz HMHXADZAJUQYKI-UHFFFAOYSA-N -1 3 322.771 2.297 20 10 DECDHM CC(C)NC(=O)N1CC2(CN(Cc3c([O-])cccc3Cl)C2)C1 ZINC001275217420 1091620413 /nfs/dbraw/zinc/62/04/13/1091620413.db2.gz MVYPUSCECFPFRK-UHFFFAOYSA-N -1 3 323.824 2.281 20 10 DECDHM COc1cc([O-])c(CN2CCO[C@@H]3C[C@@H]32)c(Br)c1 ZINC001237071788 1138497960 /nfs/dbraw/zinc/49/79/60/1138497960.db2.gz XCNPPFJBYINXQI-WCQYABFASA-N -1 3 314.179 2.136 20 10 DECDHM [O-]c1c(Cl)cc(F)cc1CN1CCC2(C[C@@H](O)CO2)CC1 ZINC001237807453 1138797271 /nfs/dbraw/zinc/79/72/71/1138797271.db2.gz JAMZQTKKAYAJKX-GFCCVEGCSA-N -1 3 315.772 2.301 20 10 DECDHM COc1c([O-])c(CN[C@@H](C)c2nccnc2C)ccc1[N+](=O)[O-] ZINC001308928799 1147490068 /nfs/dbraw/zinc/49/00/68/1147490068.db2.gz UEHXQRWWPDODBM-JTQLQIEISA-N -1 3 318.333 2.258 20 10 DECDHM C[C@@H](NC(c1nccn1C)c1nccn1C)c1ccccc1[O-] ZINC000527948516 283758744 /nfs/dbraw/zinc/75/87/44/283758744.db2.gz TXLAAMZRKLXOOQ-GFCCVEGCSA-N -1 3 311.389 2.299 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CCn3ccnc32)c1 ZINC000834829923 649852624 /nfs/dbraw/zinc/85/26/24/649852624.db2.gz ABNFCFJAWIGHCV-GXFFZTMASA-N -1 3 301.346 2.171 20 10 DECDHM COc1ccc2c(c1)OCCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000374752193 533281641 /nfs/dbraw/zinc/28/16/41/533281641.db2.gz WIHDPNNBMSPVFC-UHFFFAOYSA-N -1 3 315.325 2.141 20 10 DECDHM CN(Cc1c([O-])ccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014285131 401811409 /nfs/dbraw/zinc/81/14/09/401811409.db2.gz RQFAYLLIVCIOCF-CYBMUJFWSA-N -1 3 305.399 2.164 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN[C@@H](C(N)=O)C(C)(C)C)c1[O-] ZINC000177145340 402375111 /nfs/dbraw/zinc/37/51/11/402375111.db2.gz WKFSHOICEJYAGS-ZDUSSCGKSA-N -1 3 312.797 2.238 20 10 DECDHM C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1[O-] ZINC000186021534 402397224 /nfs/dbraw/zinc/39/72/24/402397224.db2.gz KHGXUEWAYOLUCF-GZMMTYOYSA-N -1 3 320.286 2.345 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC[C@]23CCOC3=O)c1[O-] ZINC000186739750 402461400 /nfs/dbraw/zinc/46/14/00/402461400.db2.gz SMNZPJGCGNQQHI-MRXNPFEDSA-N -1 3 307.321 2.015 20 10 DECDHM Cc1ccc(C(=O)N2CCN(C)CC23CCCCC3)c([O-])c1O ZINC000182534255 402697842 /nfs/dbraw/zinc/69/78/42/402697842.db2.gz HVOQUUYMQAERJE-UHFFFAOYSA-N -1 3 318.417 2.497 20 10 DECDHM CN(CCS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1[O-] ZINC000192669546 402743860 /nfs/dbraw/zinc/74/38/60/402743860.db2.gz BSGLNRQSBSMCLG-UHFFFAOYSA-N -1 3 323.389 2.437 20 10 DECDHM COc1cc(Cl)cc(CN2CCOC[C@]23CCOC3)c1[O-] ZINC000195019105 402827322 /nfs/dbraw/zinc/82/73/22/402827322.db2.gz BHJAOEZXJDASCV-OAHLLOKOSA-N -1 3 313.781 2.046 20 10 DECDHM COC(=O)[C@@H](NCc1cc(-c2ccccc2)ccc1[O-])[C@@H](C)O ZINC000276438451 403175254 /nfs/dbraw/zinc/17/52/54/403175254.db2.gz IKHQAAMABVQIHZ-PXAZEXFGSA-N -1 3 315.369 2.071 20 10 DECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(CO)CC2)c1[O-] ZINC000271044470 403257472 /nfs/dbraw/zinc/25/74/72/403257472.db2.gz PNNPRCWUPYSMGK-UHFFFAOYSA-N -1 3 300.742 2.158 20 10 DECDHM CO[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])Cc1ccccc1 ZINC000296103938 404095266 /nfs/dbraw/zinc/09/52/66/404095266.db2.gz PLUONUDZUKNART-AWEZNQCLSA-N -1 3 315.369 2.394 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CC[C@H](n3cccn3)C2)c1[O-] ZINC000291863616 404556356 /nfs/dbraw/zinc/55/63/56/404556356.db2.gz PKGMROMJYCMWBT-AWEZNQCLSA-N -1 3 303.337 2.377 20 10 DECDHM Cc1ccc(C(=O)N2CCC(c3cn[nH]c3)CC2)c([O-])c1O ZINC000370563844 227055252 /nfs/dbraw/zinc/05/52/52/227055252.db2.gz OTIPPXCADGNBDG-UHFFFAOYSA-N -1 3 301.346 2.149 20 10 DECDHM COc1ccc2c(c1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000372633821 227093953 /nfs/dbraw/zinc/09/39/53/227093953.db2.gz VXOOPDVMMZMEPJ-UHFFFAOYSA-N -1 3 313.353 2.347 20 10 DECDHM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1c([O-])ccc(Cl)c1F ZINC000364586606 303320485 /nfs/dbraw/zinc/32/04/85/303320485.db2.gz ZJRIHFOEHJTRCV-ITMYJUKJSA-N -1 3 312.772 2.271 20 10 DECDHM COc1cc(OC)cc(N(C)C(=O)/C=C/c2cncc([O-])c2)c1 ZINC000191085238 340549813 /nfs/dbraw/zinc/54/98/13/340549813.db2.gz AFGUCHCXSIKLGC-SNAWJCMRSA-N -1 3 314.341 2.481 20 10 DECDHM [O-]c1cccc(Cl)c1CN1CCN(c2cccnn2)CC1 ZINC000127974494 526363450 /nfs/dbraw/zinc/36/34/50/526363450.db2.gz CRZOUDOTIUSQEV-UHFFFAOYSA-N -1 3 304.781 2.158 20 10 DECDHM CN(Cc1ccccc1O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000825981157 608016087 /nfs/dbraw/zinc/01/60/87/608016087.db2.gz PUANWFRGUSFKFU-UHFFFAOYSA-N -1 3 316.752 2.257 20 10 DECDHM CN(Cc1ccccc1O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000825981157 608016088 /nfs/dbraw/zinc/01/60/88/608016088.db2.gz PUANWFRGUSFKFU-UHFFFAOYSA-N -1 3 316.752 2.257 20 10 DECDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])Oc1cccc(F)c1 ZINC000185745614 625379284 /nfs/dbraw/zinc/37/92/84/625379284.db2.gz XPWDWVDECRYZMX-JTQLQIEISA-N -1 3 305.305 2.434 20 10 DECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000734851105 633431421 /nfs/dbraw/zinc/43/14/21/633431421.db2.gz VNBMCDDVEIQNBO-AWEZNQCLSA-N -1 3 306.293 2.263 20 10 DECDHM C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000187184303 637234846 /nfs/dbraw/zinc/23/48/46/637234846.db2.gz RWGPMRREKZTDDU-ABAIWWIYSA-N -1 3 301.342 2.340 20 10 DECDHM [O-]c1c(F)cc(F)cc1CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000895418697 638013607 /nfs/dbraw/zinc/01/36/07/638013607.db2.gz OLPLNZFCVHJBKF-HZPDHXFCSA-N -1 3 321.323 2.295 20 10 DECDHM Cc1cc([O-])c(CN2CCC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 ZINC000840938243 650389221 /nfs/dbraw/zinc/38/92/21/650389221.db2.gz AABZUMHGSDSJTG-LLVKDONJSA-N -1 3 317.838 2.363 20 10 DECDHM Cc1cc([O-])c(CN2CC[C@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000840950063 650393665 /nfs/dbraw/zinc/39/36/65/650393665.db2.gz IZOQHWKIBBUOCS-NSHDSACASA-N -1 3 317.838 2.221 20 10 DECDHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2O)c(F)cc1F ZINC000751149382 639062028 /nfs/dbraw/zinc/06/20/28/639062028.db2.gz VNOGTDARARRKNG-UHFFFAOYSA-N -1 3 313.325 2.457 20 10 DECDHM CN(C)C(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775647620 642072306 /nfs/dbraw/zinc/07/23/06/642072306.db2.gz ZJIVAHSECAQPAC-UHFFFAOYSA-N -1 3 314.788 2.485 20 10 DECDHM CCCN(CC(=O)N(C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775663563 642075685 /nfs/dbraw/zinc/07/56/85/642075685.db2.gz NLPFLTWQWYBJMJ-UHFFFAOYSA-N -1 3 302.777 2.485 20 10 DECDHM Cn1ncc2c1CCC[C@H]2NC(=O)NCc1c([O-])cccc1F ZINC000914187240 647210051 /nfs/dbraw/zinc/21/00/51/647210051.db2.gz BRMODIUCXSPSPQ-CYBMUJFWSA-N -1 3 318.352 2.142 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(F)c(NC(N)=O)c2)c([O-])c1O ZINC000817213635 647242621 /nfs/dbraw/zinc/24/26/21/647242621.db2.gz VRQIVVRFLFMDMP-UHFFFAOYSA-N -1 3 319.292 2.288 20 10 DECDHM C[C@@H](COCC(F)(F)F)NC(=O)NCc1c([O-])cccc1F ZINC000915078767 647476835 /nfs/dbraw/zinc/47/68/35/647476835.db2.gz LELJJMDVYBZBQR-QMMMGPOBSA-N -1 3 324.274 2.298 20 10 DECDHM Cc1nccn1C[C@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000915664206 647597918 /nfs/dbraw/zinc/59/79/18/647597918.db2.gz ZCECTJIGRRJMMB-LLVKDONJSA-N -1 3 320.368 2.172 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCC[C@]12CCCO2 ZINC000924025078 648194207 /nfs/dbraw/zinc/19/42/07/648194207.db2.gz PWRRVJGKEFZAOI-HOCLYGCPSA-N -1 3 308.353 2.432 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](n3ccnn3)C2)c1[O-] ZINC000823468091 648427786 /nfs/dbraw/zinc/42/77/86/648427786.db2.gz BQPMPQNDDWBSGP-AWEZNQCLSA-N -1 3 318.352 2.163 20 10 DECDHM [O-]c1c(Br)cccc1CN1CC[C@](O)(C(F)F)C1 ZINC000824726611 648643599 /nfs/dbraw/zinc/64/35/99/648643599.db2.gz PQJQXSQYFOOWMV-GFCCVEGCSA-N -1 3 322.149 2.357 20 10 DECDHM COC(=O)[C@]1(F)CCN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824913507 648671750 /nfs/dbraw/zinc/67/17/50/648671750.db2.gz UXAIPBFGZLXSQI-AWEZNQCLSA-N -1 3 301.745 2.441 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCN(C(C)=O)CC2(C)C)c1[O-] ZINC000182217723 648855156 /nfs/dbraw/zinc/85/51/56/648855156.db2.gz OFDGORZGTUVMCV-UHFFFAOYSA-N -1 3 322.380 2.177 20 10 DECDHM O=C(NCCc1nc2c(s1)CCC2)c1cccc(O)c1[O-] ZINC000831093492 649537324 /nfs/dbraw/zinc/53/73/24/649537324.db2.gz MFJCQNSXKMBODB-UHFFFAOYSA-N -1 3 304.371 2.016 20 10 DECDHM CC(=O)c1cc(F)cc(CN(CC(F)F)C[C@@H](C)O)c1[O-] ZINC000832196560 649684039 /nfs/dbraw/zinc/68/40/39/649684039.db2.gz YKPDLCYOMCZNLF-MRVPVSSYSA-N -1 3 305.296 2.182 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2C[C@H](C)n3ncnc32)c1 ZINC000850499337 651940707 /nfs/dbraw/zinc/94/07/07/651940707.db2.gz NOTDQDPVBPYPOI-OUJBWJOFSA-N -1 3 316.361 2.127 20 10 DECDHM CC[C@H](NCc1nc(C(N)=O)cs1)c1ccc(F)cc1[O-] ZINC000850539431 651948632 /nfs/dbraw/zinc/94/86/32/651948632.db2.gz CMYLDELBHYONKJ-JTQLQIEISA-N -1 3 309.366 2.328 20 10 DECDHM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1O ZINC000109770896 652072437 /nfs/dbraw/zinc/07/24/37/652072437.db2.gz WDYIQHNTLHMSGH-UHFFFAOYSA-N -1 3 301.371 2.322 20 10 DECDHM CCOC(=O)C12CC(C1)CN2Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000852704427 652442734 /nfs/dbraw/zinc/44/27/34/652442734.db2.gz BWRAAASUNIFDDL-UHFFFAOYSA-N -1 3 321.348 2.261 20 10 DECDHM COC(=O)C1(NCc2cc(F)cc(C(C)=O)c2[O-])CCCC1 ZINC000133598578 684221505 /nfs/dbraw/zinc/22/15/05/684221505.db2.gz SVNZNBWBVWCLFT-UHFFFAOYSA-N -1 3 309.337 2.309 20 10 DECDHM CC(C)(C)C(=O)NCCCC(=O)NCc1c([O-])cccc1F ZINC000928709262 693831435 /nfs/dbraw/zinc/83/14/35/693831435.db2.gz HLCGBEVFHGJURB-UHFFFAOYSA-N -1 3 310.369 2.090 20 10 DECDHM O=S(=O)([N-]CCCSc1nccs1)c1ccco1 ZINC000188686893 684361029 /nfs/dbraw/zinc/36/10/29/684361029.db2.gz QMJLXZUGMJRAPS-UHFFFAOYSA-N -1 3 304.418 2.197 20 10 DECDHM Cc1ccccc1N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192869063 684459825 /nfs/dbraw/zinc/45/98/25/684459825.db2.gz PLNMGUACQNBVGV-UHFFFAOYSA-N -1 3 312.369 2.369 20 10 DECDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@H]1CCC(=O)N(C)C1 ZINC000862427693 686301166 /nfs/dbraw/zinc/30/11/66/686301166.db2.gz CTNWTOIUBAFGSC-VIFPVBQESA-N -1 3 300.761 2.237 20 10 DECDHM [O-]c1c(F)cc(F)cc1CN[C@]1(CO)CCOc2ccccc21 ZINC000883111850 691431313 /nfs/dbraw/zinc/43/13/13/691431313.db2.gz RETDRHPWRIFZHY-KRWDZBQOSA-N -1 3 321.323 2.430 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CC[C@H](c3noc(C)n3)C2)c1[O-] ZINC000931946205 694512768 /nfs/dbraw/zinc/51/27/68/694512768.db2.gz LXEGNIUPRHFHOV-NSHDSACASA-N -1 3 319.336 2.415 20 10 DECDHM COc1cccc2c1CC[C@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC001148219946 791713175 /nfs/dbraw/zinc/71/31/75/791713175.db2.gz HIHZAICAHWTNOM-LBPRGKRZSA-N -1 3 313.353 2.394 20 10 DECDHM Cn1c(CNC(=O)c2cccc(O)c2[O-])ccc1C(F)(F)F ZINC001148220082 791714445 /nfs/dbraw/zinc/71/44/45/791714445.db2.gz PCTCHWZBGYYVIN-UHFFFAOYSA-N -1 3 314.263 2.385 20 10 DECDHM O=C(NCc1ccc(C2OCCO2)cc1)c1cccc(O)c1[O-] ZINC001148224092 791715023 /nfs/dbraw/zinc/71/50/23/791715023.db2.gz BOCOLFSPWGQWHE-UHFFFAOYSA-N -1 3 315.325 2.073 20 10 DECDHM CN(CCC(=O)c1cccs1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148587256 791778230 /nfs/dbraw/zinc/77/82/30/791778230.db2.gz GATRLLNZJBNTCQ-UHFFFAOYSA-N -1 3 321.354 2.210 20 10 DECDHM COc1ccc(N2CC[C@H](CNc3nc(C)cc(=O)[n-]3)C2)cc1 ZINC001120943499 795564213 /nfs/dbraw/zinc/56/42/13/795564213.db2.gz FXWLSRIXKRMVKH-CYBMUJFWSA-N -1 3 314.389 2.438 20 10 DECDHM COC(=O)CCCCCNC(=O)NCc1c([O-])cccc1F ZINC001121912733 795703333 /nfs/dbraw/zinc/70/33/33/795703333.db2.gz ZHDCAVLYNNRCGL-UHFFFAOYSA-N -1 3 312.341 2.064 20 10 DECDHM O=C(N1CCCC1)C12CC(C1)CN2Cc1c([O-])cccc1F ZINC001137835347 796144248 /nfs/dbraw/zinc/14/42/48/796144248.db2.gz DYCFCFBRXKHQOU-UHFFFAOYSA-N -1 3 304.365 2.118 20 10 DECDHM [O-]c1c(F)cccc1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001138129905 796166930 /nfs/dbraw/zinc/16/69/30/796166930.db2.gz YPDFDNWSAJOTHK-UHFFFAOYSA-N -1 3 322.771 2.297 20 10 DECDHM COc1cccc(N2CCN(Cc3cccc(F)c3[O-])CC2)n1 ZINC001138129746 796168127 /nfs/dbraw/zinc/16/81/27/796168127.db2.gz UUNBLYNIFBYYNO-UHFFFAOYSA-N -1 3 317.364 2.257 20 10 DECDHM CN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001142512897 796746435 /nfs/dbraw/zinc/74/64/35/796746435.db2.gz PABOXZLLCDGCNJ-INIZCTEOSA-N -1 3 310.344 2.257 20 10 DECDHM Cc1cc(C)c(CNC(=O)c2cccc3c2[N-]C(=O)C3=O)c(O)c1 ZINC001152459649 797190604 /nfs/dbraw/zinc/19/06/04/797190604.db2.gz FAUGTKANTOGVQA-UHFFFAOYSA-N -1 3 324.336 2.074 20 10 DECDHM C[S@](=O)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001156170012 797937990 /nfs/dbraw/zinc/93/79/90/797937990.db2.gz BQWPVCCJLYILAC-NRFANRHFSA-N -1 3 307.346 2.199 20 10 DECDHM COc1ccc(NC(=S)NCc2ncccc2[O-])c(OC)c1 ZINC001200984866 798703157 /nfs/dbraw/zinc/70/31/57/798703157.db2.gz JJDRFVBAWPZIGC-UHFFFAOYSA-N -1 3 319.386 2.291 20 10 DECDHM CC(C)Oc1cnccc1NC(=O)NCc1c([O-])cccc1F ZINC000934644397 800407550 /nfs/dbraw/zinc/40/75/50/800407550.db2.gz BOJLTEZFYFUWIS-UHFFFAOYSA-N -1 3 319.336 2.457 20 10 DECDHM O=C(NCc1ccn2ccnc2c1)NCc1c([O-])cccc1F ZINC001230253958 801375841 /nfs/dbraw/zinc/37/58/41/801375841.db2.gz FXKSUXLUNWRTAU-UHFFFAOYSA-N -1 3 314.320 2.178 20 10 DECDHM O=C([O-])c1ccc(C[NH+]2CCC(n3ccnc3)CC2)c([O-])c1 ZINC001231455942 801668451 /nfs/dbraw/zinc/66/84/51/801668451.db2.gz YMOCNECNMQHIHO-UHFFFAOYSA-N -1 3 301.346 2.124 20 10 DECDHM CN(CCNC(=O)OC(C)(C)C)Cc1cc(C(=O)[O-])ccc1O ZINC001231560028 801686615 /nfs/dbraw/zinc/68/66/15/801686615.db2.gz MQZXLOPLECGPLU-UHFFFAOYSA-N -1 3 324.377 2.047 20 10 DECDHM Cc1cc([O-])c(CN2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)cc1Cl ZINC001231866763 801739865 /nfs/dbraw/zinc/73/98/65/801739865.db2.gz DGIMWNCNJIYHDB-HZUKXOBISA-N -1 3 311.809 2.326 20 10 DECDHM Cc1nccnc1O[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336535 802080259 /nfs/dbraw/zinc/08/02/59/802080259.db2.gz OZSFKQUDVKEVCV-NSHDSACASA-N -1 3 321.327 2.422 20 10 DECDHM COC[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC001233454812 802121216 /nfs/dbraw/zinc/12/12/16/802121216.db2.gz KVLNJCIMFRYNQF-LBPRGKRZSA-N -1 3 305.296 2.258 20 10 DECDHM C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603465041 1069974419 /nfs/dbraw/zinc/97/44/19/1069974419.db2.gz CWKYVHHFTORWGR-WOPDTQHZSA-N -1 3 317.393 2.038 20 10 DECDHM Cc1cc(Cl)cc(C[NH2+]C2(CC(=O)[O-])CCOCC2)c1[O-] ZINC001607655729 1071515366 /nfs/dbraw/zinc/51/53/66/1071515366.db2.gz GYTVXZVTONQJHG-UHFFFAOYSA-N -1 3 313.781 2.468 20 10 DECDHM CCOC(=O)[C@@H](C[C@@H](C)CC)NC(=O)c1cccc(O)c1[O-] ZINC001471889934 1060334901 /nfs/dbraw/zinc/33/49/01/1060334901.db2.gz IRZAQGMLGRRMII-CMPLNLGQSA-N -1 3 309.362 2.196 20 10 DECDHM O=C(CNCc1ccc(F)c(F)c1[O-])N1CCc2ccccc21 ZINC001474690031 1060917556 /nfs/dbraw/zinc/91/75/56/1060917556.db2.gz KTVFFPCHTQHUTD-UHFFFAOYSA-N -1 3 318.323 2.349 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CCS[C@H]2COCC[C@H]21 ZINC001621135839 1078170222 /nfs/dbraw/zinc/17/02/22/1078170222.db2.gz YWKWOKOTKCQMNK-OCCSQVGLSA-N -1 3 301.358 2.377 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cc(F)cc2[nH]cnc21 ZINC001635360240 1078448463 /nfs/dbraw/zinc/44/84/63/1078448463.db2.gz FONFSODKILGTNE-UHFFFAOYSA-N -1 3 303.268 2.477 20 10 DECDHM O=C(Cn1ccc(C(F)(F)F)n1)NCc1c([O-])cccc1F ZINC001638858067 1078583050 /nfs/dbraw/zinc/58/30/50/1078583050.db2.gz GDRLCNHVPUFSQA-UHFFFAOYSA-N -1 3 317.242 2.063 20 10 DECDHM COC(=O)c1ccc(C(=O)NCc2c([O-])cccc2F)c(F)c1 ZINC001638863618 1078584804 /nfs/dbraw/zinc/58/48/04/1078584804.db2.gz NKDKYFKFUAGOBS-UHFFFAOYSA-N -1 3 321.279 2.387 20 10 DECDHM CN(CC(=O)NCc1c([O-])cccc1F)c1ccc(Cl)cn1 ZINC001645047879 1078873713 /nfs/dbraw/zinc/87/37/13/1078873713.db2.gz BICHGNZRTTXVRU-UHFFFAOYSA-N -1 3 323.755 2.332 20 10 DECDHM C[C@@H](COc1ccc(F)cc1)NC(=O)c1cccc(O)c1[O-] ZINC001542214489 1072453581 /nfs/dbraw/zinc/45/35/81/1072453581.db2.gz VBTTYCMUJUJGGF-JTQLQIEISA-N -1 3 305.305 2.434 20 10 DECDHM O=C(Nc1cccc(-c2cn[nH]n2)c1)c1c(F)ccc(O)c1[O-] ZINC001648707616 1075006830 /nfs/dbraw/zinc/00/68/30/1075006830.db2.gz FELJFZNGFSLDME-UHFFFAOYSA-N -1 3 314.276 2.274 20 10 DECDHM CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC001558035304 1075079716 /nfs/dbraw/zinc/07/97/16/1075079716.db2.gz GDGVAGRORYCRHV-UHFFFAOYSA-N -1 3 312.325 2.212 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1c[nH]nc1-c1ccccn1 ZINC001558454218 1075094434 /nfs/dbraw/zinc/09/44/34/1075094434.db2.gz BUSTYYGRPRURKO-UHFFFAOYSA-N -1 3 312.304 2.246 20 10 DECDHM O=C(C[C@H](O)c1cccc(F)c1)NCc1c([O-])cccc1F ZINC001558455712 1075094713 /nfs/dbraw/zinc/09/47/13/1075094713.db2.gz XGXARFABHHTAGU-HNNXBMFYSA-N -1 3 307.296 2.410 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2N)c([O-])c1O ZINC001558676694 1075102155 /nfs/dbraw/zinc/10/21/55/1075102155.db2.gz MFFCHSJWNWMNDH-UHFFFAOYSA-N -1 3 317.301 2.457 20 10 DECDHM CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466721 1076634472 /nfs/dbraw/zinc/63/44/72/1076634472.db2.gz MDUCYDDXIMWTJC-SMDDNHRTSA-N -1 3 315.377 2.306 20 10 DECDHM Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1-c1nnn[n-]1 ZINC001592129245 1076853788 /nfs/dbraw/zinc/85/37/88/1076853788.db2.gz UEWMSWCXTIHHAW-LLVKDONJSA-N -1 3 323.356 2.372 20 10 DECDHM Cc1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1-c1nn[n-]n1 ZINC001592129245 1076853793 /nfs/dbraw/zinc/85/37/93/1076853793.db2.gz UEWMSWCXTIHHAW-LLVKDONJSA-N -1 3 323.356 2.372 20 10 DECDHM O=C(OCc1ccc(-c2nnn[n-]2)c(F)c1)C1=CC(=O)CS1 ZINC001593293560 1076991920 /nfs/dbraw/zinc/99/19/20/1076991920.db2.gz IZEUXKAHMIXTGM-UHFFFAOYSA-N -1 3 320.305 2.130 20 10 DECDHM O=C(OCc1ccc(-c2nn[n-]n2)c(F)c1)C1=CC(=O)CS1 ZINC001593293560 1076991924 /nfs/dbraw/zinc/99/19/24/1076991924.db2.gz IZEUXKAHMIXTGM-UHFFFAOYSA-N -1 3 320.305 2.130 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCN[C@@H](c2ccc(F)cc2)C1 ZINC001594592174 1077054523 /nfs/dbraw/zinc/05/45/23/1077054523.db2.gz GDIBLKMIVYAOCQ-CQSZACIVSA-N -1 3 316.332 2.024 20 10 DECDHM Cc1ccc(C[NH+]2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c([O-])c1 ZINC001600412283 1077196123 /nfs/dbraw/zinc/19/61/23/1077196123.db2.gz DTSHZBAUGQSQBT-UHFFFAOYSA-N -1 3 319.401 2.282 20 10 DECDHM O=C([O-])[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccc1F ZINC001608548419 1077654247 /nfs/dbraw/zinc/65/42/47/1077654247.db2.gz MXLGBQOKAQGCJW-HNNXBMFYSA-N -1 3 319.288 2.176 20 10 DECDHM CN1CCc2cc(C=Cc3ccncc3-c3nnn[n-]3)ccc21 ZINC001609285810 1077825144 /nfs/dbraw/zinc/82/51/44/1077825144.db2.gz YFNIZTIGQLJRCH-DUXPYHPUSA-N -1 3 304.357 2.424 20 10 DECDHM CN1CCc2cc(C=Cc3ccncc3-c3nn[n-]n3)ccc21 ZINC001609285810 1077825151 /nfs/dbraw/zinc/82/51/51/1077825151.db2.gz YFNIZTIGQLJRCH-DUXPYHPUSA-N -1 3 304.357 2.424 20 10 DECDHM Cc1ccccc1CS(=O)(=O)NCc1c([O-])cccc1F ZINC001664351264 1080898669 /nfs/dbraw/zinc/89/86/69/1080898669.db2.gz ACYRWGWZVARVDQ-UHFFFAOYSA-N -1 3 309.362 2.459 20 10 DECDHM NC(=O)c1ccc2c(n1)CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001277457952 1083981925 /nfs/dbraw/zinc/98/19/25/1083981925.db2.gz MYZSNJABMWTTDH-UHFFFAOYSA-N -1 3 317.776 2.098 20 10 DECDHM O=S(=O)(NCc1cc(Cl)c2cccnc2c1[O-])C1CC1 ZINC001259277561 1144082921 /nfs/dbraw/zinc/08/29/21/1144082921.db2.gz ZBAZEEVHIBNITH-UHFFFAOYSA-N -1 3 312.778 2.176 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc(-c3cn(C)nn3)c2)c([O-])c1O ZINC001301134699 1147282462 /nfs/dbraw/zinc/28/24/62/1147282462.db2.gz YZOBQEAAQZNIFH-UHFFFAOYSA-N -1 3 324.340 2.454 20 10 DECDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2c(O)cccc2F)c1 ZINC001303875746 1147336998 /nfs/dbraw/zinc/33/69/98/1147336998.db2.gz NJHVHYPZKGUCGW-UHFFFAOYSA-N -1 3 318.304 2.125 20 10 DECDHM C[S@@](=O)c1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001306899036 1147393128 /nfs/dbraw/zinc/39/31/28/1147393128.db2.gz WPVPSUXZRALGGA-OAQYLSRUSA-N -1 3 307.346 2.199 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCC(CO)CC1 ZINC000305723071 356402121 /nfs/dbraw/zinc/40/21/21/356402121.db2.gz DNEZLPNRUXWDQR-UHFFFAOYSA-N -1 3 300.196 2.359 20 10 DECDHM C[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(F)c(F)c1[O-] ZINC000281212387 299284718 /nfs/dbraw/zinc/28/47/18/299284718.db2.gz SSBFDGYPRWQISD-VIFPVBQESA-N -1 3 319.373 2.288 20 10 DECDHM CCOC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])CCO1 ZINC000529666020 284234960 /nfs/dbraw/zinc/23/49/60/284234960.db2.gz IVZFJXOKTWPFHB-ZDUSSCGKSA-N -1 3 315.797 2.292 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000273580574 284565835 /nfs/dbraw/zinc/56/58/35/284565835.db2.gz MOTMPTSGQQBLHL-WDEREUQCSA-N -1 3 322.405 2.133 20 10 DECDHM CO[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc([O-])c2)C1 ZINC000367127493 533305273 /nfs/dbraw/zinc/30/52/73/533305273.db2.gz XHJCWCPGPPYISL-MOEXGYKKSA-N -1 3 310.353 2.405 20 10 DECDHM C[C@@H](NCc1ncn(C)n1)c1cc(Br)ccc1[O-] ZINC000186213855 402411431 /nfs/dbraw/zinc/41/14/31/402411431.db2.gz IXEXDVHTMTYNEH-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM O=C(NC1CCN(c2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000187001018 402477245 /nfs/dbraw/zinc/47/72/45/402477245.db2.gz ZFYYPKVSUOCDRN-UHFFFAOYSA-N -1 3 312.369 2.497 20 10 DECDHM COC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccc(C)o1 ZINC000179533358 402593493 /nfs/dbraw/zinc/59/34/93/402593493.db2.gz XPDNBSHSKTZYGS-GFCCVEGCSA-N -1 3 305.330 2.425 20 10 DECDHM Cc1nc(CN2CCN(Cc3ccccc3[O-])CC2)cs1 ZINC000179555200 402594320 /nfs/dbraw/zinc/59/43/20/402594320.db2.gz OIIJSEGIEMQJRP-UHFFFAOYSA-N -1 3 303.431 2.475 20 10 DECDHM COc1c([O-])c(CNCc2ncccc2C)ccc1[N+](=O)[O-] ZINC000278893813 402883107 /nfs/dbraw/zinc/88/31/07/402883107.db2.gz QBDSKMKANMFUCX-UHFFFAOYSA-N -1 3 303.318 2.302 20 10 DECDHM C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000279385089 402937170 /nfs/dbraw/zinc/93/71/70/402937170.db2.gz VIAPACNNHQMPRG-SNVBAGLBSA-N -1 3 324.377 2.083 20 10 DECDHM CCN(CC)C(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000272340927 402926048 /nfs/dbraw/zinc/92/60/48/402926048.db2.gz YQYYTMNDLHETLP-UHFFFAOYSA-N -1 3 309.385 2.111 20 10 DECDHM O=C([N-]CC1CC[NH+](Cc2ccccc2[O-])CC1)C(F)(F)F ZINC000281304204 403063223 /nfs/dbraw/zinc/06/32/23/403063223.db2.gz PWEYYSOHNHKCSG-UHFFFAOYSA-N -1 3 316.323 2.283 20 10 DECDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H]1O ZINC000271234733 403282151 /nfs/dbraw/zinc/28/21/51/403282151.db2.gz AQMHWAYNYDWNQO-RNCFNFMXSA-N -1 3 300.196 2.357 20 10 DECDHM CC(C)CN1CC(=O)N[C@H]1c1cc(Br)ccc1[O-] ZINC000298777141 403461525 /nfs/dbraw/zinc/46/15/25/403461525.db2.gz ICEVXXFKJBEDMK-CYBMUJFWSA-N -1 3 313.195 2.241 20 10 DECDHM CCc1nocc1CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000293538619 403498633 /nfs/dbraw/zinc/49/86/33/403498633.db2.gz COHFXFRTZWXDRI-UHFFFAOYSA-N -1 3 321.333 2.491 20 10 DECDHM CC(C)N1C[C@H](NCc2cc(Cl)c(F)cc2[O-])CC1=O ZINC000293577830 403508970 /nfs/dbraw/zinc/50/89/70/403508970.db2.gz JNLDVGNYXNXPNC-SNVBAGLBSA-N -1 3 300.761 2.284 20 10 DECDHM Cc1ccc(C(=O)N(C)C[C@H](O)Cc2ccccc2)c([O-])c1O ZINC000294206610 403672812 /nfs/dbraw/zinc/67/28/12/403672812.db2.gz XSNRNXTZBNDEAZ-CQSZACIVSA-N -1 3 315.369 2.082 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000287943201 403695951 /nfs/dbraw/zinc/69/59/51/403695951.db2.gz RQUBSOJQBRBUNQ-ZDUSSCGKSA-N -1 3 319.279 2.017 20 10 DECDHM COCCO[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294610882 403723828 /nfs/dbraw/zinc/72/38/28/403723828.db2.gz IMYSFOPXSXRUSS-LLVKDONJSA-N -1 3 303.761 2.422 20 10 DECDHM Cn1ccnc1[C@H]1N(Cc2cc3c(cc2[O-])OCO3)CC1(C)C ZINC000294736321 403725739 /nfs/dbraw/zinc/72/57/39/403725739.db2.gz GSIYBLKHKULAOY-OAHLLOKOSA-N -1 3 315.373 2.438 20 10 DECDHM COCCn1cc(CNCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000294778806 403734262 /nfs/dbraw/zinc/73/42/62/403734262.db2.gz UHVDAYOFQURXQX-UHFFFAOYSA-N -1 3 313.760 2.317 20 10 DECDHM [O-]c1c(Cl)cccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000362048914 403921726 /nfs/dbraw/zinc/92/17/26/403921726.db2.gz XWXXITOQUIBKHE-HUUCEWRRSA-N -1 3 310.825 2.077 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CC[C@H](OC(=O)N(C)C)C2)c1[O-] ZINC000296682203 404314317 /nfs/dbraw/zinc/31/43/17/404314317.db2.gz LMNTVMWCFOMIQT-ZDUSSCGKSA-N -1 3 324.352 2.006 20 10 DECDHM CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187782083 286642096 /nfs/dbraw/zinc/64/20/96/286642096.db2.gz WLXVOIRDLUZSCT-IUCAKERBSA-N -1 3 307.362 2.144 20 10 DECDHM [O-]c1ccc(Cl)cc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000378350886 227212835 /nfs/dbraw/zinc/21/28/35/227212835.db2.gz UYWDKFDIWADKSE-HOCLYGCPSA-N -1 3 310.825 2.077 20 10 DECDHM [O-]c1ccccc1CN(Cc1csnn1)C[C@@H]1CCCO1 ZINC000160198957 526372837 /nfs/dbraw/zinc/37/28/37/526372837.db2.gz CWNXGIAOZRURMW-AWEZNQCLSA-N -1 3 305.403 2.425 20 10 DECDHM O=S1(=O)CCCN(Cc2c([O-])ccc3ccccc32)CC1 ZINC000225270328 527298233 /nfs/dbraw/zinc/29/82/33/527298233.db2.gz HKONJPPSLIORAG-UHFFFAOYSA-N -1 3 305.399 2.166 20 10 DECDHM Oc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000738401149 598940456 /nfs/dbraw/zinc/94/04/56/598940456.db2.gz PGDQQBROTLEQTK-UHFFFAOYSA-N -1 3 302.725 2.233 20 10 DECDHM Oc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000738401149 598940457 /nfs/dbraw/zinc/94/04/57/598940457.db2.gz PGDQQBROTLEQTK-UHFFFAOYSA-N -1 3 302.725 2.233 20 10 DECDHM Cc1ncc2n1CC[C@H](C(=O)NCc1cccc(Cl)c1[O-])C2 ZINC000890759100 623197440 /nfs/dbraw/zinc/19/74/40/623197440.db2.gz CCQZGZWGDUUPOT-NSHDSACASA-N -1 3 319.792 2.429 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c([O-])c1O ZINC000179492303 625657668 /nfs/dbraw/zinc/65/76/68/625657668.db2.gz XXNWAKVOJQKIIR-UHFFFAOYSA-N -1 3 310.313 2.444 20 10 DECDHM C[C@@H]1[C@H](C)N(Cc2cc(Cl)ccc2[O-])CCS1(=O)=O ZINC000093559763 634150318 /nfs/dbraw/zinc/15/03/18/634150318.db2.gz AJRFQFAGZWNNIY-VHSXEESVSA-N -1 3 303.811 2.053 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1COC2(CCCC2)O1 ZINC000921786609 635201529 /nfs/dbraw/zinc/20/15/29/635201529.db2.gz IYNDCCVKCYUYLD-NSHDSACASA-N -1 3 324.352 2.016 20 10 DECDHM [O-]c1c(F)cc(F)cc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000894083445 636104242 /nfs/dbraw/zinc/10/42/42/636104242.db2.gz CWKYCVYWPVRGSV-STQMWFEESA-N -1 3 301.358 2.377 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H]2Nc3ccccc3C(=O)N2C)c1 ZINC000726796767 636471421 /nfs/dbraw/zinc/47/14/21/636471421.db2.gz CZTNPJSIHPBVLW-HNNXBMFYSA-N -1 3 312.325 2.375 20 10 DECDHM C[C@@H](CN(C)C(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000838339352 637535272 /nfs/dbraw/zinc/53/52/72/637535272.db2.gz MIKJXMIOVPJRLQ-JTQLQIEISA-N -1 3 309.362 2.148 20 10 DECDHM CCOC(=O)c1nnc([C@@H](C)NCc2ccc(OC)c(C)c2)[n-]1 ZINC000895237091 637831535 /nfs/dbraw/zinc/83/15/35/637831535.db2.gz UDYSMHCDYZQLOR-LLVKDONJSA-N -1 3 318.377 2.149 20 10 DECDHM Cc1cc([O-])c(CN2CC(n3cc([C@@H](C)O)nn3)C2)c(Cl)c1 ZINC000840935854 650388901 /nfs/dbraw/zinc/38/89/01/650388901.db2.gz ASVYEYQRXMNJOO-SNVBAGLBSA-N -1 3 322.796 2.056 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCO[C@H](CF)C1 ZINC000840955775 650394113 /nfs/dbraw/zinc/39/41/13/650394113.db2.gz ZFBNJKXYTQHKOH-LLVKDONJSA-N -1 3 304.159 2.325 20 10 DECDHM Cc1cc([O-])c(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(Cl)c1 ZINC000840947855 650393528 /nfs/dbraw/zinc/39/35/28/650393528.db2.gz OBSQLGYSDRHJNU-GHMZBOCLSA-N -1 3 317.838 2.361 20 10 DECDHM CC[C@H](CO)Nc1cc(NCc2c([O-])cccc2F)ncn1 ZINC000895832908 638224148 /nfs/dbraw/zinc/22/41/48/638224148.db2.gz QCYHDDMBIULVRJ-SNVBAGLBSA-N -1 3 306.341 2.116 20 10 DECDHM Cn1nc(C(=O)NCc2c([O-])cccc2F)c2c1CCCC2 ZINC000928705673 639484698 /nfs/dbraw/zinc/48/46/98/639484698.db2.gz KTHLCBOWBXFKNY-UHFFFAOYSA-N -1 3 303.337 2.074 20 10 DECDHM CCCC(=O)N1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928712752 639492760 /nfs/dbraw/zinc/49/27/60/639492760.db2.gz YXMSBZJLOGKGRZ-GFCCVEGCSA-N -1 3 322.380 2.186 20 10 DECDHM C[C@H](NCc1nnnn1-c1ccccc1)c1ccc(F)cc1[O-] ZINC000756492016 639665687 /nfs/dbraw/zinc/66/56/87/639665687.db2.gz YQYDZENVCOPXSQ-NSHDSACASA-N -1 3 313.336 2.358 20 10 DECDHM C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1c([O-])ccc(Cl)c1F ZINC000841891207 650594579 /nfs/dbraw/zinc/59/45/79/650594579.db2.gz KIAJBGOJFSYESD-WDEREUQCSA-N -1 3 316.804 2.072 20 10 DECDHM Cn1nccc1[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000897559501 640800215 /nfs/dbraw/zinc/80/02/15/640800215.db2.gz XRBKJJDUROVXGR-HNNXBMFYSA-N -1 3 307.781 2.353 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CC[C@H](O)[C@H](F)C1 ZINC000898190202 641055444 /nfs/dbraw/zinc/05/54/44/641055444.db2.gz YVGDNQSISZAGMF-MNOVXSKESA-N -1 3 304.159 2.059 20 10 DECDHM CCN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769382206 641230225 /nfs/dbraw/zinc/23/02/25/641230225.db2.gz VOMBXUOWIKLSGZ-JTQLQIEISA-N -1 3 313.785 2.480 20 10 DECDHM COc1c([O-])c([C@H]2Nc3ccccc3C(=O)N2)ccc1[N+](=O)[O-] ZINC000772174327 641608571 /nfs/dbraw/zinc/60/85/71/641608571.db2.gz ACNOZLAJAXUZOE-AWEZNQCLSA-N -1 3 315.285 2.163 20 10 DECDHM CC[C@@]1(C)COCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775075928 642004024 /nfs/dbraw/zinc/00/40/24/642004024.db2.gz RFAAEKSQQGZOCW-HNNXBMFYSA-N -1 3 310.350 2.310 20 10 DECDHM CC[C@H]1C(=O)N(CC)CCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000778417594 642389185 /nfs/dbraw/zinc/38/91/85/642389185.db2.gz IERWCDBSRFGBBF-HNNXBMFYSA-N -1 3 322.380 2.177 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc(C)c2C(N)=O)c([O-])c1O ZINC000780946498 642693687 /nfs/dbraw/zinc/69/36/87/642693687.db2.gz BRIURPDZMFDHEE-UHFFFAOYSA-N -1 3 300.314 2.066 20 10 DECDHM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000781788407 642786479 /nfs/dbraw/zinc/78/64/79/642786479.db2.gz TWLRPCAOTVGWFF-CYBMUJFWSA-N -1 3 319.279 2.281 20 10 DECDHM COCCN(Cc1c([O-])ccc(Cl)c1F)[C@H]1CCOC1 ZINC000787333868 643484367 /nfs/dbraw/zinc/48/43/67/643484367.db2.gz DLWDTHQVNXYOJK-JTQLQIEISA-N -1 3 303.761 2.422 20 10 DECDHM O=C([N-]c1nnc(C(F)F)s1)c1c(F)ccc(O)c1O ZINC000790070045 643812444 /nfs/dbraw/zinc/81/24/44/643812444.db2.gz ZBWYFUGYPQBPCY-UHFFFAOYSA-N -1 3 305.237 2.278 20 10 DECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1c(C)nn(C)c1C ZINC000790802674 643896178 /nfs/dbraw/zinc/89/61/78/643896178.db2.gz HZYHFBJGEDSBAP-LBPRGKRZSA-N -1 3 303.362 2.329 20 10 DECDHM O=S1(=O)CCCC[C@H]1CNCc1c([O-])ccc(Cl)c1F ZINC000790986844 643917546 /nfs/dbraw/zinc/91/75/46/643917546.db2.gz XGOJJMHKINIDFA-VIFPVBQESA-N -1 3 321.801 2.242 20 10 DECDHM CC(C)(CO)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792167096 644081787 /nfs/dbraw/zinc/08/17/87/644081787.db2.gz ZCNPXRMINOEDDS-UHFFFAOYSA-N -1 3 316.804 2.073 20 10 DECDHM Cn1nc2c(c1CNCc1cc([N+](=O)[O-])ccc1[O-])CCCC2 ZINC000812773618 646693715 /nfs/dbraw/zinc/69/37/15/646693715.db2.gz JAIQZXLWEYUHKS-UHFFFAOYSA-N -1 3 316.361 2.203 20 10 DECDHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1nnnn1C1CC1 ZINC000816591550 647156514 /nfs/dbraw/zinc/15/65/14/647156514.db2.gz HXZRRTCVOBUDDA-ZETCQYMHSA-N -1 3 311.748 2.357 20 10 DECDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000914562912 647391443 /nfs/dbraw/zinc/39/14/43/647391443.db2.gz RJJOFDOTBAYXRO-UHFFFAOYSA-N -1 3 323.370 2.218 20 10 DECDHM CC1(C)CCCN(CCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000830584506 649464007 /nfs/dbraw/zinc/46/40/07/649464007.db2.gz QTUCBPQSPOAYAH-UHFFFAOYSA-N -1 3 310.369 2.089 20 10 DECDHM Cn1cc([C@H]2N(C(=O)c3cccc(O)c3[O-])CC2(C)C)cn1 ZINC000846155718 651311738 /nfs/dbraw/zinc/31/17/38/651311738.db2.gz CGYKBXXVFDDLFJ-CQSZACIVSA-N -1 3 301.346 2.055 20 10 DECDHM CC(C)(C)OC(=O)CN(CC1CC1)C(=O)c1cccc(O)c1[O-] ZINC000846456014 651331580 /nfs/dbraw/zinc/33/15/80/651331580.db2.gz HRDYHMOWFHYNKI-UHFFFAOYSA-N -1 3 321.373 2.292 20 10 DECDHM C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1c([O-])cccc1F ZINC000928710331 693831012 /nfs/dbraw/zinc/83/10/12/693831012.db2.gz BLLMQWQDYRCXRB-RYUDHWBXSA-N -1 3 311.353 2.122 20 10 DECDHM CC(C)(C)c1noc(CCC(=O)NCc2c([O-])cccc2F)n1 ZINC000928711776 693831943 /nfs/dbraw/zinc/83/19/43/693831943.db2.gz LCOLNNDRLSCACE-UHFFFAOYSA-N -1 3 321.352 2.461 20 10 DECDHM CCC[C@@H](C)N1C[C@H](C(=O)NCc2c([O-])cccc2F)CC1=O ZINC000928710353 693832202 /nfs/dbraw/zinc/83/22/02/693832202.db2.gz BYMNDYKEBDHOGV-VXGBXAGGSA-N -1 3 322.380 2.185 20 10 DECDHM COCC1(C2CC2)CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000877686327 690191609 /nfs/dbraw/zinc/19/16/09/690191609.db2.gz NTWCEGVYUFNPGH-UHFFFAOYSA-N -1 3 322.361 2.167 20 10 DECDHM CCc1nn(C)c(OC)c1CNCc1cc(F)cc(F)c1[O-] ZINC000883081653 691425293 /nfs/dbraw/zinc/42/52/93/691425293.db2.gz LGKWKUQXSCGNPI-UHFFFAOYSA-N -1 3 311.332 2.265 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]1(CO)c1ccccc1 ZINC001348199510 1151131033 /nfs/dbraw/zinc/13/10/33/1151131033.db2.gz LKWNSANRHCGZAL-GOSISDBHSA-N -1 3 313.353 2.222 20 10 DECDHM COC(=O)[C@H](COC(C)C)N(C)Cc1ccc(Cl)cc1[O-] ZINC001560640082 1152582853 /nfs/dbraw/zinc/58/28/53/1152582853.db2.gz AQQVSJVNNVFYFZ-ZDUSSCGKSA-N -1 3 315.797 2.444 20 10 DECDHM CCOC(=O)c1cnc(C)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001545889241 1178934314 /nfs/dbraw/zinc/93/43/14/1178934314.db2.gz NZBVQFDNBDGRFA-UHFFFAOYSA-N -1 3 316.313 2.230 20 10 DECDHM CC(=O)O[C@@H](C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144161676 790783686 /nfs/dbraw/zinc/78/36/86/790783686.db2.gz FXFSVACTACTKCC-QMMMGPOBSA-N -1 3 322.748 2.162 20 10 DECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1csnn1 ZINC001146828253 791372918 /nfs/dbraw/zinc/37/29/18/791372918.db2.gz VJZNQNCPNKWTFD-UHFFFAOYSA-N -1 3 320.761 2.375 20 10 DECDHM Cc1cnn(-c2ccccn2)c1NC(=O)c1cccc(O)c1[O-] ZINC001148212162 791710919 /nfs/dbraw/zinc/71/09/19/791710919.db2.gz PDRSEMWDMCWGRN-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM CCOC(=O)C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC001148218429 791712776 /nfs/dbraw/zinc/71/27/76/791712776.db2.gz CMLXVDXFFAKPTJ-NWDGAFQWSA-N -1 3 321.373 2.149 20 10 DECDHM Cc1cc(N)cc2sc(=N)n(C(=O)c3cccc(O)c3[O-])c21 ZINC001148219427 791713261 /nfs/dbraw/zinc/71/32/61/791713261.db2.gz ZZZXYWHGLZMCOQ-UHFFFAOYSA-N -1 3 315.354 2.173 20 10 DECDHM CC(C)(NC(=O)c1cc(O)c([O-])c(O)c1)C(=O)c1ccccc1 ZINC001148586710 791778714 /nfs/dbraw/zinc/77/87/14/791778714.db2.gz VCDVHLKHRRGVQH-UHFFFAOYSA-N -1 3 315.325 2.195 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC(=O)Nc2ccccc21 ZINC001178413022 794922132 /nfs/dbraw/zinc/92/21/32/794922132.db2.gz KUWXXVVYQXXMFF-LLVKDONJSA-N -1 3 314.316 2.274 20 10 DECDHM O=C(Cc1cccc2nsnc21)NCc1c([O-])cccc1F ZINC001178416631 794922755 /nfs/dbraw/zinc/92/27/55/794922755.db2.gz KZRMWIUYFBRBTF-UHFFFAOYSA-N -1 3 317.345 2.395 20 10 DECDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H]1CO ZINC001119444555 795301916 /nfs/dbraw/zinc/30/19/16/795301916.db2.gz BPYUDBHTWVSLJX-JTQLQIEISA-N -1 3 304.159 2.251 20 10 DECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1C[C@H]2CC[C@@H](C1)C2=O ZINC001139129490 796329352 /nfs/dbraw/zinc/32/93/52/796329352.db2.gz AFAIGGHZWZNGBQ-TXEJJXNPSA-N -1 3 313.353 2.218 20 10 DECDHM [O-]c1cccc(Br)c1CN1C[C@H](F)C[C@@H](CO)C1 ZINC001140098857 796476753 /nfs/dbraw/zinc/47/67/53/796476753.db2.gz PLUUDCYGIRJIJG-NXEZZACHSA-N -1 3 318.186 2.307 20 10 DECDHM [O-]c1cccc(Cl)c1CN1Cc2ccnn2CC[C@@H]1CO ZINC001140342670 796510734 /nfs/dbraw/zinc/51/07/34/796510734.db2.gz UAJNWIYZNUPYDY-GFCCVEGCSA-N -1 3 307.781 2.009 20 10 DECDHM Cc1cc2n(n1)c(=O)cc(C)n2Cc1cc(F)c(F)cc1[O-] ZINC001142524539 796747453 /nfs/dbraw/zinc/74/74/53/796747453.db2.gz ALPSMKRUMNDUJV-UHFFFAOYSA-N -1 3 305.284 2.145 20 10 DECDHM COc1ccc(CC(=O)NCc2c([O-])cccc2F)cc1O ZINC001156171366 797938396 /nfs/dbraw/zinc/93/83/96/797938396.db2.gz ZXWBKVAZWKLBIB-UHFFFAOYSA-N -1 3 305.305 2.104 20 10 DECDHM N[C@@H]1CN(Cc2c([O-])cccc2Br)CCC1(F)F ZINC001206668327 798525825 /nfs/dbraw/zinc/52/58/25/798525825.db2.gz QAMUTCROGSBUNL-LLVKDONJSA-N -1 3 321.165 2.323 20 10 DECDHM Cn1nccc1[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001207684853 800807407 /nfs/dbraw/zinc/80/74/07/800807407.db2.gz KACHYNPULZPRIH-OAHLLOKOSA-N -1 3 307.781 2.353 20 10 DECDHM CN(c1ccc(F)c([O-])c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001211216842 801531946 /nfs/dbraw/zinc/53/19/46/801531946.db2.gz ODQNYUWFDWDPGF-UHFFFAOYSA-N -1 3 310.350 2.080 20 10 DECDHM CCOC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447433 801667143 /nfs/dbraw/zinc/66/71/43/801667143.db2.gz TYEAUYIUPBBTMC-LBPRGKRZSA-N -1 3 321.373 2.256 20 10 DECDHM CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231447433 801667145 /nfs/dbraw/zinc/66/71/45/801667145.db2.gz TYEAUYIUPBBTMC-LBPRGKRZSA-N -1 3 321.373 2.256 20 10 DECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c([O-])c1 ZINC001231453299 801668579 /nfs/dbraw/zinc/66/85/79/801668579.db2.gz GDCIGAHJDHJDOL-CYBMUJFWSA-N -1 3 305.374 2.339 20 10 DECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)c([O-])c1 ZINC001231453299 801668585 /nfs/dbraw/zinc/66/85/85/801668585.db2.gz GDCIGAHJDHJDOL-CYBMUJFWSA-N -1 3 305.374 2.339 20 10 DECDHM CCOC(=O)[C@H]1COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231870423 801742498 /nfs/dbraw/zinc/74/24/98/801742498.db2.gz ZRQLRFKOOYUYFO-CYBMUJFWSA-N -1 3 313.781 2.118 20 10 DECDHM COc1cc([O-])c(CN2CCN(C(C)=O)[C@@H](C)C2)cc1Cl ZINC001232267404 801833096 /nfs/dbraw/zinc/83/30/96/801833096.db2.gz BIXAFEOGHCZRCX-JTQLQIEISA-N -1 3 312.797 2.107 20 10 DECDHM COc1cc([O-])c(CN2CC[C@](O)(CF)[C@@H](F)C2)cc1Cl ZINC001232266660 801834339 /nfs/dbraw/zinc/83/43/39/801834339.db2.gz QVEFXKJZNMBIGO-KBPBESRZSA-N -1 3 321.751 2.299 20 10 DECDHM [O-]c1c(O)cc(-c2nc(-c3cccn4ccnc34)no2)cc1O ZINC001215328415 801837417 /nfs/dbraw/zinc/83/74/17/801837417.db2.gz CAODXFCZGYXBES-UHFFFAOYSA-N -1 3 310.269 2.168 20 10 DECDHM Cn1ncc2cc(-c3noc(-c4cc(O)c([O-])c(O)c4)n3)ccc21 ZINC001215328488 801837683 /nfs/dbraw/zinc/83/76/83/801837683.db2.gz HVJVHVYITDSBCF-UHFFFAOYSA-N -1 3 324.296 2.407 20 10 DECDHM COC(=O)[C@H]1[C@@H]2CN(Cc3cccc(C(F)(F)F)c3[O-])C[C@@H]21 ZINC001233418386 802111585 /nfs/dbraw/zinc/11/15/85/802111585.db2.gz FFGSTLFMFFCUDI-IAZYJMLFSA-N -1 3 315.291 2.262 20 10 DECDHM COC[C@@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455468 802121337 /nfs/dbraw/zinc/12/13/37/802121337.db2.gz LZMRGNQFYGDKRN-GFCCVEGCSA-N -1 3 305.296 2.258 20 10 DECDHM Cc1cc(OC2CC(O)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001218258897 802161289 /nfs/dbraw/zinc/16/12/89/802161289.db2.gz BNLJIQDJDGHPTA-UHFFFAOYSA-N -1 3 324.332 2.378 20 10 DECDHM CNC(=O)c1ccsc1NC(=O)NCc1c([O-])cccc1F ZINC001220053779 802407141 /nfs/dbraw/zinc/40/71/41/802407141.db2.gz DHIGKWSVLACRQP-UHFFFAOYSA-N -1 3 323.349 2.274 20 10 DECDHM O=C([O-])C1CC2(C1)CC[C@@H](C[NH2+][C@H]1CCc3cccc([O-])c31)O2 ZINC001594906243 954677708 /nfs/dbraw/zinc/67/77/08/954677708.db2.gz WITZBZJAAYFNSB-HPGRBHQUSA-N -1 3 317.385 2.382 20 10 DECDHM C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272932 994616634 /nfs/dbraw/zinc/61/66/34/994616634.db2.gz VCNVKKUWUHRAOT-UFBFGSQYSA-N -1 3 301.289 2.165 20 10 DECDHM COc1ccc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC001599556389 998098668 /nfs/dbraw/zinc/09/86/68/998098668.db2.gz GWRDBTAMTIJQFN-NSHDSACASA-N -1 3 316.357 2.387 20 10 DECDHM CCC[C@@](C)(O)C[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604127748 1070234467 /nfs/dbraw/zinc/23/44/67/1070234467.db2.gz FNSLFNREGQQICC-CZUORRHYSA-N -1 3 319.409 2.164 20 10 DECDHM COc1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])cc1O ZINC001461136047 1058590007 /nfs/dbraw/zinc/59/00/07/1058590007.db2.gz GNZPDZYBRNLMJX-UHFFFAOYSA-N -1 3 304.302 2.304 20 10 DECDHM COc1c([O-])c(CN[C@H]2C[C@@H](C)n3ccnc32)ccc1[N+](=O)[O-] ZINC001462241393 1058786404 /nfs/dbraw/zinc/78/64/04/1058786404.db2.gz WQFSYEOJWQRYRQ-KOLCDFICSA-N -1 3 318.333 2.301 20 10 DECDHM O=C(NCc1cnn2ccccc12)NCc1c([O-])cccc1F ZINC001470124349 1060056363 /nfs/dbraw/zinc/05/63/63/1060056363.db2.gz AZKFCNZZIZUUFY-UHFFFAOYSA-N -1 3 314.320 2.178 20 10 DECDHM O=C([O-])C1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC001610725693 1078067489 /nfs/dbraw/zinc/06/74/89/1078067489.db2.gz FFEZALLHMRMNNL-AWEZNQCLSA-N -1 3 305.374 2.238 20 10 DECDHM O=C([O-])C1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC001610725693 1078067494 /nfs/dbraw/zinc/06/74/94/1078067494.db2.gz FFEZALLHMRMNNL-AWEZNQCLSA-N -1 3 305.374 2.238 20 10 DECDHM CCN(Cc1ccc(Cl)cc1[O-])[C@@H](C)CS(C)(=O)=O ZINC001621182008 1078170534 /nfs/dbraw/zinc/17/05/34/1078170534.db2.gz QMYCFWVZMIFWMW-JTQLQIEISA-N -1 3 305.827 2.301 20 10 DECDHM Cn1cc(NC(=O)c2cccc(O)c2[O-])c(-c2ccccn2)n1 ZINC001630243581 1078336190 /nfs/dbraw/zinc/33/61/90/1078336190.db2.gz NUBNTWQQYBBSBV-UHFFFAOYSA-N -1 3 310.313 2.146 20 10 DECDHM COC(=O)c1cccc(CC(=O)NCc2c([O-])cccc2F)c1 ZINC001635360458 1078448482 /nfs/dbraw/zinc/44/84/82/1078448482.db2.gz MJRSUEAUPLJMMI-UHFFFAOYSA-N -1 3 317.316 2.177 20 10 DECDHM COC(=O)c1coc(/C=C/C(=O)NCc2c([O-])cccc2F)c1 ZINC001645049976 1078874442 /nfs/dbraw/zinc/87/44/42/1078874442.db2.gz AERJOVLEPUYQHL-AATRIKPKSA-N -1 3 319.288 2.241 20 10 DECDHM COC(=O)c1ccc(CC(=O)NCc2c([O-])cccc2F)cc1 ZINC001645048540 1078874492 /nfs/dbraw/zinc/87/44/92/1078874492.db2.gz ZILJMVDSZCXHIX-UHFFFAOYSA-N -1 3 317.316 2.177 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc2[nH]c(=O)oc2c1 ZINC001558454182 1075094773 /nfs/dbraw/zinc/09/47/73/1075094773.db2.gz AWPADPKGASTJMW-UHFFFAOYSA-N -1 3 302.261 2.308 20 10 DECDHM COC(=O)[C@@H](COC(C)C)N(C)Cc1ccc(Cl)cc1[O-] ZINC001560640079 1075143666 /nfs/dbraw/zinc/14/36/66/1075143666.db2.gz AQQVSJVNNVFYFZ-CYBMUJFWSA-N -1 3 315.797 2.444 20 10 DECDHM CC[C@H]([NH2+]CCOC1CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466005 1076633105 /nfs/dbraw/zinc/63/31/05/1076633105.db2.gz JCHQFJHMQQYIDN-AWEZNQCLSA-N -1 3 317.393 2.182 20 10 DECDHM O=[N+]([O-])c1cc(NCc2ccccc2O)ccc1-c1nnn[n-]1 ZINC001609600856 1077881440 /nfs/dbraw/zinc/88/14/40/1077881440.db2.gz HLURYISHOVGONG-UHFFFAOYSA-N -1 3 312.289 2.093 20 10 DECDHM C[C@](O)(C(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001652298872 1079866437 /nfs/dbraw/zinc/86/64/37/1079866437.db2.gz RSGRARKTXUMOGX-MRXNPFEDSA-N -1 3 307.296 2.194 20 10 DECDHM COC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1F ZINC001652959120 1079907084 /nfs/dbraw/zinc/90/70/84/1079907084.db2.gz RTNHLKZSNCMKSQ-UHFFFAOYSA-N -1 3 305.261 2.276 20 10 DECDHM O=C1COc2ccc(CNCc3c([O-])cccc3F)cc2N1 ZINC001653131044 1079914598 /nfs/dbraw/zinc/91/45/98/1079914598.db2.gz AZFDMYVQBODPQO-UHFFFAOYSA-N -1 3 302.305 2.152 20 10 DECDHM O=C(CNCc1cc(Cl)cc(F)c1[O-])NC1CCCC1 ZINC001657123689 1080157822 /nfs/dbraw/zinc/15/78/22/1080157822.db2.gz SKLBINVDQZRVPN-UHFFFAOYSA-N -1 3 300.761 2.333 20 10 DECDHM CN(Cc1ccc(C(N)=O)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001658039405 1080194159 /nfs/dbraw/zinc/19/41/59/1080194159.db2.gz JIRWBNRTXCVEHG-UHFFFAOYSA-N -1 3 306.312 2.401 20 10 DECDHM [O-]c1cccc(F)c1CN1CCN(CCc2ccncc2)CC1 ZINC001137837763 1086618154 /nfs/dbraw/zinc/61/81/54/1086618154.db2.gz UDEBGHHFUQCDEI-UHFFFAOYSA-N -1 3 315.392 2.287 20 10 DECDHM Cc1nnc([C@@H](C)NCc2c([O-])cccc2Br)[nH]1 ZINC000706881601 1086654534 /nfs/dbraw/zinc/65/45/34/1086654534.db2.gz YIFFPQYFDGNONH-SSDOTTSWSA-N -1 3 311.183 2.432 20 10 DECDHM [O-]c1ccc(Cl)cc1CN1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275276346 1091648205 /nfs/dbraw/zinc/64/82/05/1091648205.db2.gz JFDKJYUKLXFOCK-UHFFFAOYSA-N -1 3 318.808 2.087 20 10 DECDHM NC(=O)[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794328 1138429229 /nfs/dbraw/zinc/42/92/29/1138429229.db2.gz RLLILRZOQBJREE-QMMMGPOBSA-N -1 3 303.189 2.396 20 10 DECDHM CCN(Cc1c([O-])cc(OC)cc1Br)C1COC1 ZINC001237073153 1138498712 /nfs/dbraw/zinc/49/87/12/1138498712.db2.gz OXDHRUNPFJMBRC-UHFFFAOYSA-N -1 3 316.195 2.384 20 10 DECDHM CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])ccc(F)c1Cl ZINC001237123730 1138507755 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O=[N+]([O-])c1ccc([O-])c(CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000135910688 401955296 /nfs/dbraw/zinc/95/52/96/401955296.db2.gz YDXBYJNFAPRMCJ-QGZVFWFLSA-N -1 3 314.341 2.224 20 10 DECDHM CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187782120 402511711 /nfs/dbraw/zinc/51/17/11/402511711.db2.gz WLXVOIRDLUZSCT-DTWKUNHWSA-N -1 3 307.362 2.144 20 10 DECDHM C[C@@H](O)C[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000187187735 402487298 /nfs/dbraw/zinc/48/72/98/402487298.db2.gz HZTRKOQHNMNIGN-OCCSQVGLSA-N -1 3 315.369 2.382 20 10 DECDHM Cc1cc(Br)cc(CN2CCC(O)CC2)c1[O-] ZINC000271804992 402884550 /nfs/dbraw/zinc/88/45/50/402884550.db2.gz MAOICBRCUZHNCY-UHFFFAOYSA-N -1 3 300.196 2.420 20 10 DECDHM C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000276494589 403180960 /nfs/dbraw/zinc/18/09/60/403180960.db2.gz BGAMBHGAWWKIMM-GHMZBOCLSA-N -1 3 310.369 2.087 20 10 DECDHM CSC1(CNC(=O)c2ccc(C)c(O)c2[O-])CCOCC1 ZINC000271249384 403282992 /nfs/dbraw/zinc/28/29/92/403282992.db2.gz 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COCCO[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894672748 637157025 /nfs/dbraw/zinc/15/70/25/637157025.db2.gz WERRDNZBPTYZHX-ZDUSSCGKSA-N -1 3 301.333 2.298 20 10 DECDHM CCOC(=O)[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000840916594 650379572 /nfs/dbraw/zinc/37/95/72/650379572.db2.gz BWNOQFQUXFSHLU-AWEZNQCLSA-N -1 3 313.781 2.118 20 10 DECDHM Cc1cc([O-])c(CN2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c(Cl)c1 ZINC000840947856 650393253 /nfs/dbraw/zinc/39/32/53/650393253.db2.gz OBSQLGYSDRHJNU-PHIMTYICSA-N -1 3 317.838 2.361 20 10 DECDHM COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928704881 639483919 /nfs/dbraw/zinc/48/39/19/639483919.db2.gz FYZZSGNDMVZFGE-MNOVXSKESA-N -1 3 309.337 2.127 20 10 DECDHM C[C@@H](NCc1nnc2n1CCCC2)c1cc(F)cc(F)c1[O-] ZINC000760869963 640237603 /nfs/dbraw/zinc/23/76/03/640237603.db2.gz NTKRMSVRHPDJTH-SECBINFHSA-N -1 3 308.332 2.449 20 10 DECDHM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc1 ZINC000841806197 650568212 /nfs/dbraw/zinc/56/82/12/650568212.db2.gz DPJFTDKQGWXWAP-MRXNPFEDSA-N -1 3 316.405 2.182 20 10 DECDHM C[C@H]1[C@H](C)N(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000775987274 642120495 /nfs/dbraw/zinc/12/04/95/642120495.db2.gz VIYGLMNLMSZLSJ-UWVGGRQHSA-N -1 3 313.785 2.478 20 10 DECDHM C[C@H](COc1cccc(F)c1)NC(=O)c1cccc(O)c1[O-] ZINC000776337943 642160099 /nfs/dbraw/zinc/16/00/99/642160099.db2.gz DNJIPWAXQDCVDM-SNVBAGLBSA-N -1 3 305.305 2.434 20 10 DECDHM CO[C@@H](CS(=O)(=O)Nc1ccc([O-])c(Cl)c1)C1CC1 ZINC000842590265 650772812 /nfs/dbraw/zinc/77/28/12/650772812.db2.gz WSEKUMSAMHJTOV-LBPRGKRZSA-N -1 3 305.783 2.212 20 10 DECDHM COCCN(Cc1scnc1C)C(=O)c1cccc(O)c1[O-] ZINC000787683142 643525241 /nfs/dbraw/zinc/52/52/41/643525241.db2.gz ITVCBCQLVRZGKJ-UHFFFAOYSA-N -1 3 322.386 2.152 20 10 DECDHM Cc1nc(CNC(=O)c2cccc(O)c2[O-])nc2ccccc12 ZINC000790627434 643874851 /nfs/dbraw/zinc/87/48/51/643874851.db2.gz PFIGHEAXWVVUHN-UHFFFAOYSA-N -1 3 309.325 2.279 20 10 DECDHM COc1cccc(C[C@@H](C)NC(=O)c2cccc(O)c2[O-])c1 ZINC000790707867 643884142 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O=C1NCC2(CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)O1 ZINC000816585403 647155536 /nfs/dbraw/zinc/15/55/36/647155536.db2.gz IOPMPJMYXOOJCX-UHFFFAOYSA-N -1 3 314.744 2.259 20 10 DECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816588979 647156407 /nfs/dbraw/zinc/15/64/07/647156407.db2.gz HRLGFOYBSCXSPM-HNXYLICVSA-N -1 3 312.772 2.271 20 10 DECDHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(O)cc1F ZINC000817356135 647274337 /nfs/dbraw/zinc/27/43/37/647274337.db2.gz FZNKGFUOMLULSR-NSHDSACASA-N -1 3 305.371 2.334 20 10 DECDHM CS(=O)(=O)C[C@H]1CCCCN1Cc1c([O-])cccc1Cl ZINC000824913533 648671699 /nfs/dbraw/zinc/67/16/99/648671699.db2.gz AJJDIBSVPRBKEO-LLVKDONJSA-N -1 3 317.838 2.445 20 10 DECDHM C[C@H]1OCC[C@@H]1N(CCO)Cc1c([O-])ccc(Cl)c1F ZINC000825129893 648708377 /nfs/dbraw/zinc/70/83/77/648708377.db2.gz HMJHYYPZAOVYRJ-SKDRFNHKSA-N -1 3 303.761 2.156 20 10 DECDHM COC[C@]1(CO)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825158381 648714675 /nfs/dbraw/zinc/71/46/75/648714675.db2.gz 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ZINC000846333116 651324135 /nfs/dbraw/zinc/32/41/35/651324135.db2.gz YHHJSMRTGUPDAG-ZYHUDNBSSA-N -1 3 321.373 2.433 20 10 DECDHM Cn1ncc(C2CC2)c1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000850111805 651831866 /nfs/dbraw/zinc/83/18/66/651831866.db2.gz GGXZWRRRTVUWHR-UHFFFAOYSA-N -1 3 302.334 2.201 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCN(C3CCC3)CC2)c1[O-] ZINC000393234965 685450643 /nfs/dbraw/zinc/45/06/43/685450643.db2.gz YEBDWBYTOKNSGF-UHFFFAOYSA-N -1 3 306.381 2.404 20 10 DECDHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928709426 693831288 /nfs/dbraw/zinc/83/12/88/693831288.db2.gz FCQKZTNXVZPVIB-RFAUZJTJSA-N -1 3 303.337 2.237 20 10 DECDHM CC[C@H](C(=O)NCc1c([O-])cccc1F)N1CCO[C@@H](CC)C1 ZINC000928709020 693831455 /nfs/dbraw/zinc/83/14/55/693831455.db2.gz VTJWUJNJQFZWBD-SWLSCSKDSA-N -1 3 324.396 2.037 20 10 DECDHM C[C@@H]1CCc2[nH]nc(C(=O)NCc3c([O-])cccc3F)c2C1 ZINC000928710493 693831633 /nfs/dbraw/zinc/83/16/33/693831633.db2.gz TXGBTECMTKBFTG-SECBINFHSA-N -1 3 303.337 2.309 20 10 DECDHM C[C@@H](CC(=O)NCc1c([O-])cccc1F)NC(=O)C1CCCC1 ZINC000928710390 693831901 /nfs/dbraw/zinc/83/19/01/693831901.db2.gz CRVCDBGNYZFUJT-NSHDSACASA-N -1 3 322.380 2.233 20 10 DECDHM CN(C)c1ccc(CN(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000195324560 685094799 /nfs/dbraw/zinc/09/47/99/685094799.db2.gz IRZXAMJVITVUMC-UHFFFAOYSA-N -1 3 300.358 2.436 20 10 DECDHM O=C1CCCN1[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876716429 689914027 /nfs/dbraw/zinc/91/40/27/689914027.db2.gz ZSKCXGOWWPNLQQ-LBPRGKRZSA-N -1 3 310.344 2.257 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H]2Nc3cc(C)ccc3C(=O)N2)c1 ZINC000877863511 690249996 /nfs/dbraw/zinc/24/99/96/690249996.db2.gz FOACANYCGXYLFF-HNNXBMFYSA-N -1 3 312.325 2.341 20 10 DECDHM Cc1c([C@@H](C)NC(=O)NCc2c([O-])cccc2F)cnn1C ZINC001334299524 1150263295 /nfs/dbraw/zinc/26/32/95/1150263295.db2.gz XBYGXONJCRVJON-SECBINFHSA-N -1 3 306.341 2.134 20 10 DECDHM CN(Cc1cnc(Cl)s1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583288 791777358 /nfs/dbraw/zinc/77/73/58/791777358.db2.gz WWDOIGSAHYALIN-UHFFFAOYSA-N -1 3 314.750 2.186 20 10 DECDHM O=C(Cc1cc[nH]n1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001175762166 794282792 /nfs/dbraw/zinc/28/27/92/794282792.db2.gz NRIRCGAPKTXCQV-UHFFFAOYSA-N -1 3 316.748 2.176 20 10 DECDHM COc1cccc([O-])c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001138152361 796171845 /nfs/dbraw/zinc/17/18/45/796171845.db2.gz FVYDUESXNIMXHE-JTQLQIEISA-N -1 3 317.341 2.173 20 10 DECDHM Cc1cc(N2CCN(Cc3c([O-])cccc3Cl)CC2)ncn1 ZINC001140342497 796510448 /nfs/dbraw/zinc/51/04/48/796510448.db2.gz LYRVIPTZIQIQKI-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM O=C1CCC[C@]2(CCCN(Cc3cc(F)c(F)cc3[O-])C2)N1 ZINC001142517782 796747274 /nfs/dbraw/zinc/74/72/74/796747274.db2.gz ZQLUWJYMQOHBDN-MRXNPFEDSA-N -1 3 310.344 2.305 20 10 DECDHM Cc1ccnc(O[C@H]2CCN(Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142531026 796748027 /nfs/dbraw/zinc/74/80/27/796748027.db2.gz NRZXPNOZOAOUFE-LBPRGKRZSA-N -1 3 321.327 2.422 20 10 DECDHM [O-]c1c(F)cccc1CN1CC(N2CCC(F)(F)CC2)C1 ZINC001138128490 799594297 /nfs/dbraw/zinc/59/42/97/799594297.db2.gz NOZSOBFCYCLJOA-UHFFFAOYSA-N -1 3 300.324 2.447 20 10 DECDHM O=C([O-])COc1ccccc1CN1CCc2cccc(O)c2C1 ZINC001231796950 801732158 /nfs/dbraw/zinc/73/21/58/801732158.db2.gz NZANNZLJIJHWSJ-UHFFFAOYSA-N -1 3 313.353 2.414 20 10 DECDHM Cc1cc([O-])c(CN2Cc3ccnn3CC[C@H]2CO)cc1Cl ZINC001231871204 801742230 /nfs/dbraw/zinc/74/22/30/801742230.db2.gz FLAGUAPFZISAFM-AWEZNQCLSA-N -1 3 321.808 2.317 20 10 DECDHM COc1cc([O-])c(CN2CCC(=O)C(F)(F)C2)cc1Cl ZINC001232269779 801835530 /nfs/dbraw/zinc/83/55/30/801835530.db2.gz KQSSRXWHJDOSOC-UHFFFAOYSA-N -1 3 305.708 2.464 20 10 DECDHM COc1cc([O-])c(CN2CCOC[C@H]2C)cc1Br ZINC001233135527 802035093 /nfs/dbraw/zinc/03/50/93/802035093.db2.gz UDHPQMSNLYXTHH-SECBINFHSA-N -1 3 316.195 2.384 20 10 DECDHM O=C1CC(Oc2cccc3c2C(=O)c2c([O-])cccc2C3=O)C1 ZINC001226379785 803101161 /nfs/dbraw/zinc/10/11/61/803101161.db2.gz IPJIMLAGZISMLU-UHFFFAOYSA-N -1 3 308.289 2.278 20 10 DECDHM O=C([O-])c1ccc2c(c1)N(C(=O)c1cccc3c1CCNC3)CC2 ZINC000325745918 971240458 /nfs/dbraw/zinc/24/04/58/971240458.db2.gz GZICJCYJSLHOFU-UHFFFAOYSA-N -1 3 322.364 2.233 20 10 DECDHM CO[C@H]1CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001599325852 997662806 /nfs/dbraw/zinc/66/28/06/997662806.db2.gz SNWOHAPTIXBIPK-NSHDSACASA-N -1 3 306.337 2.236 20 10 DECDHM COc1ccc([C@@H]([NH2+]Cc2ccccc2[O-])C(=O)[O-])c(OC)c1 ZINC001599532699 997686170 /nfs/dbraw/zinc/68/61/70/997686170.db2.gz UYCDHDGBUJPQHE-MRXNPFEDSA-N -1 3 317.341 2.325 20 10 DECDHM CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603278653 1069929074 /nfs/dbraw/zinc/92/90/74/1069929074.db2.gz RZEGMLNYZKUPGD-RYUDHWBXSA-N -1 3 319.409 2.020 20 10 DECDHM CCC(CC)(CO)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604020307 1070178233 /nfs/dbraw/zinc/17/82/33/1070178233.db2.gz WAEQSOYCDKMWBM-NSHDSACASA-N -1 3 319.409 2.022 20 10 DECDHM C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604243813 1070293461 /nfs/dbraw/zinc/29/34/61/1070293461.db2.gz SHZWJSDYOKVNSX-GHMZBOCLSA-N -1 3 303.362 2.106 20 10 DECDHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1O ZINC001605440265 1070713622 /nfs/dbraw/zinc/71/36/22/1070713622.db2.gz JSJSIZFWDAPNSC-QMMMGPOBSA-N -1 3 315.358 2.125 20 10 DECDHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1O ZINC001605440265 1070713634 /nfs/dbraw/zinc/71/36/34/1070713634.db2.gz JSJSIZFWDAPNSC-QMMMGPOBSA-N -1 3 315.358 2.125 20 10 DECDHM [O-]c1c(F)cccc1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001607111103 1071305680 /nfs/dbraw/zinc/30/56/80/1071305680.db2.gz NMIIUDLPVDVDCF-UHFFFAOYSA-N -1 3 305.338 2.063 20 10 DECDHM [O-]c1c(F)cccc1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001607111103 1071305689 /nfs/dbraw/zinc/30/56/89/1071305689.db2.gz NMIIUDLPVDVDCF-UHFFFAOYSA-N -1 3 305.338 2.063 20 10 DECDHM CN(C)[C@H](C(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001635361033 1078448444 /nfs/dbraw/zinc/44/84/44/1078448444.db2.gz WPYDHUVDCDNNFX-INIZCTEOSA-N -1 3 302.349 2.450 20 10 DECDHM O=C(NCc1nc2c(cccc2F)[nH]1)c1cccc(O)c1[O-] ZINC001636599137 1078483765 /nfs/dbraw/zinc/48/37/65/1078483765.db2.gz GFHGKNQLEUYXBN-UHFFFAOYSA-N -1 3 301.277 2.043 20 10 DECDHM C[C@H](COc1ccc(F)cc1)NC(=O)c1cccc(O)c1[O-] ZINC001542214490 1072454148 /nfs/dbraw/zinc/45/41/48/1072454148.db2.gz VBTTYCMUJUJGGF-SNVBAGLBSA-N -1 3 305.305 2.434 20 10 DECDHM O=C(CSCc1ccccn1)NCc1c([O-])cccc1F ZINC001646028398 1079082994 /nfs/dbraw/zinc/08/29/94/1079082994.db2.gz HPEBTYDWYSRZIC-UHFFFAOYSA-N -1 3 306.362 2.476 20 10 DECDHM C[S@](=O)c1ccc(CC(=O)NCc2c([O-])cccc2F)cc1 ZINC001558454343 1075094870 /nfs/dbraw/zinc/09/48/70/1075094870.db2.gz FDFHWBKKUXNAAP-QFIPXVFZSA-N -1 3 321.373 2.128 20 10 DECDHM Cn1cc(C(=O)NCc2c([O-])cccc2F)c(C(F)(F)F)n1 ZINC001558455466 1075094926 /nfs/dbraw/zinc/09/49/26/1075094926.db2.gz UREKXEORMZOUFH-UHFFFAOYSA-N -1 3 317.242 2.214 20 10 DECDHM Cn1cc(CN2CCN(Cc3ccc(Cl)cc3[O-])CC2)cn1 ZINC001560661187 1075144905 /nfs/dbraw/zinc/14/49/05/1075144905.db2.gz OPEUECGVZQJJLL-UHFFFAOYSA-N -1 3 320.824 2.097 20 10 DECDHM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cccc(O)c1[O-] ZINC001583317941 1076254744 /nfs/dbraw/zinc/25/47/44/1076254744.db2.gz ZGCLOCXANOKZNY-CYBMUJFWSA-N -1 3 303.362 2.139 20 10 DECDHM CC[C@H]([NH2+]CCCOC(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467604 1076634265 /nfs/dbraw/zinc/63/42/65/1076634265.db2.gz RDGQGBQJNRLXEF-AWEZNQCLSA-N -1 3 319.409 2.428 20 10 DECDHM CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590471564 1076635781 /nfs/dbraw/zinc/63/57/81/1076635781.db2.gz IZLXNZFJGKQASK-WDMOLILDSA-N -1 3 317.393 2.038 20 10 DECDHM COCCCCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591410655 1076742142 /nfs/dbraw/zinc/74/21/42/1076742142.db2.gz FXNCJDGXGBECIQ-LLVKDONJSA-N -1 3 305.382 2.040 20 10 DECDHM Cc1cc(C(=O)NCc2ccccc2O)cc(C)c1-c1nnn[n-]1 ZINC001591929236 1076808084 /nfs/dbraw/zinc/80/80/84/1076808084.db2.gz QYAFQFAHEMVLQA-UHFFFAOYSA-N -1 3 323.356 2.119 20 10 DECDHM Cc1cc(C(=O)NCc2ccccc2O)cc(C)c1-c1nn[n-]n1 ZINC001591929236 1076808091 /nfs/dbraw/zinc/80/80/91/1076808091.db2.gz QYAFQFAHEMVLQA-UHFFFAOYSA-N -1 3 323.356 2.119 20 10 DECDHM Cc1nccn1CCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001607989828 1077574010 /nfs/dbraw/zinc/57/40/10/1077574010.db2.gz XFPJYQNBBCNLDS-NSHDSACASA-N -1 3 303.362 2.336 20 10 DECDHM CCN(Cc1ccc(Cl)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC001657203369 1080164120 /nfs/dbraw/zinc/16/41/20/1080164120.db2.gz JNCZCRMVDSJFCT-LBPRGKRZSA-N -1 3 303.811 2.055 20 10 DECDHM CCN(Cc1ccc(Cl)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001657203368 1080164218 /nfs/dbraw/zinc/16/42/18/1080164218.db2.gz JNCZCRMVDSJFCT-GFCCVEGCSA-N -1 3 303.811 2.055 20 10 DECDHM C[C@]1(CO)CN(Cc2c([O-])ccc(Cl)c2Cl)CC[C@H]1O ZINC001237077307 1080441427 /nfs/dbraw/zinc/44/14/27/1080441427.db2.gz FJDRKJULCWHFGR-TZMCWYRMSA-N -1 3 320.216 2.264 20 10 DECDHM CC(=O)N(C)[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237940871 1080501454 /nfs/dbraw/zinc/50/14/54/1080501454.db2.gz OQVOSWAOUXWMSP-NSHDSACASA-N -1 3 300.761 2.237 20 10 DECDHM O=S(=O)(CCc1ccccc1)NCc1c([O-])cccc1F ZINC001666280903 1081140179 /nfs/dbraw/zinc/14/01/79/1081140179.db2.gz PGRYWLNWBURCOT-UHFFFAOYSA-N -1 3 309.362 2.193 20 10 DECDHM NC(=O)c1cc2c([nH]1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001277458849 1083981507 /nfs/dbraw/zinc/98/15/07/1083981507.db2.gz XJFWGWYDSWOWKV-UHFFFAOYSA-N -1 3 305.765 2.031 20 10 DECDHM CNC(=O)[C@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001273378921 1091112919 /nfs/dbraw/zinc/11/29/19/1091112919.db2.gz RDWLXNFQKXSZSG-LLVKDONJSA-N -1 3 310.344 2.019 20 10 DECDHM COc1cc([O-])c(CN2CCN(CC(F)F)CC2)c(Cl)c1 ZINC001236807408 1138434873 /nfs/dbraw/zinc/43/48/73/1138434873.db2.gz GCRAKELWWWOMFS-UHFFFAOYSA-N -1 3 320.767 2.437 20 10 DECDHM COc1cc([O-])c(CN2CCN(C(C)=O)[C@@H](C)C2)c(Cl)c1 ZINC001236809668 1138436038 /nfs/dbraw/zinc/43/60/38/1138436038.db2.gz XFNKKDDBHRPYEJ-JTQLQIEISA-N -1 3 312.797 2.107 20 10 DECDHM COC(=O)[C@]1(C)COCCN1Cc1cc2ccccc2cc1[O-] ZINC001236836105 1138441809 /nfs/dbraw/zinc/44/18/09/1138441809.db2.gz XQFZJAWGRIPKOZ-SFHVURJKSA-N -1 3 315.369 2.309 20 10 DECDHM Cc1cc([O-])c(CN2CCn3nncc3C2)cc1Br ZINC001237680723 1138755019 /nfs/dbraw/zinc/75/50/19/1138755019.db2.gz FCEQBAKAAYJSIC-UHFFFAOYSA-N -1 3 323.194 2.070 20 10 DECDHM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001325246480 1147887601 /nfs/dbraw/zinc/88/76/01/1147887601.db2.gz DAIUSGUSNQXOKH-VHSXEESVSA-N -1 3 324.377 2.129 20 10 DECDHM O=C1NCCN1[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000092188683 355620193 /nfs/dbraw/zinc/62/01/93/355620193.db2.gz ZOXZSKMVDOEMPM-CYBMUJFWSA-N -1 3 309.797 2.035 20 10 DECDHM [O-]c1ccc(F)cc1CN1CCN(c2ncccc2F)CC1 ZINC000272234628 130011063 /nfs/dbraw/zinc/01/10/63/130011063.db2.gz FKKLPNUBLICDIM-UHFFFAOYSA-N -1 3 305.328 2.388 20 10 DECDHM COC(=O)c1ccc([O-])c([C@@H](C)NC[C@@](C)(O)C(F)(F)F)c1 ZINC000273343701 130110007 /nfs/dbraw/zinc/11/00/07/130110007.db2.gz AENIBZLETUPKKH-AMIZOPFISA-N -1 3 321.295 2.143 20 10 DECDHM CC[C@H](N[C@H](C)CS(=O)(=O)CC)c1ccc(F)cc1[O-] ZINC000285951574 131212271 /nfs/dbraw/zinc/21/22/71/131212271.db2.gz GEZXURYTQKLQFB-MFKMUULPSA-N -1 3 303.399 2.395 20 10 DECDHM CN(C)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccsc1 ZINC000294766032 131859011 /nfs/dbraw/zinc/85/90/11/131859011.db2.gz FMNPZGHIYQKNLK-LLVKDONJSA-N -1 3 324.377 2.331 20 10 DECDHM Cc1nn(C)cc1CNCc1cccc(Br)c1[O-] ZINC000168688662 402498023 /nfs/dbraw/zinc/49/80/23/402498023.db2.gz CJGQDPBCIBIMGH-UHFFFAOYSA-N -1 3 310.195 2.486 20 10 DECDHM COC(=O)[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000191843231 402695268 /nfs/dbraw/zinc/69/52/68/402695268.db2.gz CULDMOCXPAUHEJ-YGRLFVJLSA-N -1 3 323.364 2.365 20 10 DECDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])C[C@H]1O ZINC000280511826 403007662 /nfs/dbraw/zinc/00/76/62/403007662.db2.gz QHUWAUXMBKZBRI-GFCCVEGCSA-N -1 3 300.196 2.357 20 10 DECDHM CCCCN(CC(=O)Nc1nncs1)Cc1ccccc1[O-] ZINC000282429067 403153261 /nfs/dbraw/zinc/15/32/61/403153261.db2.gz JZTWGRCWEAAGRO-UHFFFAOYSA-N -1 3 320.418 2.485 20 10 DECDHM CN(C)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1cccs1 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DECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](n3cncn3)C2)c1[O-] ZINC000368888797 527207255 /nfs/dbraw/zinc/20/72/55/527207255.db2.gz NFYDHNGISVJNQC-ZDUSSCGKSA-N -1 3 320.780 2.287 20 10 DECDHM COc1c([O-])c(CN2CCC[C@@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000285196223 536862143 /nfs/dbraw/zinc/86/21/43/536862143.db2.gz QRLGDSGFMWYXGQ-TZMCWYRMSA-N -1 3 322.361 2.452 20 10 DECDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000737270991 599064801 /nfs/dbraw/zinc/06/48/01/599064801.db2.gz PYYSLVUISSWTEE-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000737270991 599064803 /nfs/dbraw/zinc/06/48/03/599064803.db2.gz PYYSLVUISSWTEE-UHFFFAOYSA-N -1 3 309.377 2.248 20 10 DECDHM COc1cc(Br)cc(C[N@H+](C)[C@H](C)C(=O)[O-])c1[O-] ZINC000820754763 598131248 /nfs/dbraw/zinc/13/12/48/598131248.db2.gz NSZZTKJRZCMTLV-SSDOTTSWSA-N -1 3 318.167 2.068 20 10 DECDHM COc1cc(Br)cc(C[N@@H+](C)[C@H](C)C(=O)[O-])c1[O-] ZINC000820754763 598131249 /nfs/dbraw/zinc/13/12/49/598131249.db2.gz 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Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)o1 ZINC001231454159 801669605 /nfs/dbraw/zinc/66/96/05/801669605.db2.gz OOGRCSHNXHALFR-CYBMUJFWSA-N -1 3 317.345 2.161 20 10 DECDHM Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)o1 ZINC001231454159 801669608 /nfs/dbraw/zinc/66/96/08/801669608.db2.gz OOGRCSHNXHALFR-CYBMUJFWSA-N -1 3 317.345 2.161 20 10 DECDHM COC(=O)CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCCC1 ZINC001231564656 801686734 /nfs/dbraw/zinc/68/67/34/801686734.db2.gz VOXDISUWTLDCTB-UHFFFAOYSA-N -1 3 321.373 2.398 20 10 DECDHM COC(=O)CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCCC1 ZINC001231564656 801686737 /nfs/dbraw/zinc/68/67/37/801686737.db2.gz VOXDISUWTLDCTB-UHFFFAOYSA-N -1 3 321.373 2.398 20 10 DECDHM [O-]c1cc(O)c(CN2CCN(c3ccccn3)CC2)cc1Cl ZINC001232258478 801830652 /nfs/dbraw/zinc/83/06/52/801830652.db2.gz IPAKFCCHLRHBCE-UHFFFAOYSA-N -1 3 319.792 2.468 20 10 DECDHM COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232267154 801832348 /nfs/dbraw/zinc/83/23/48/801832348.db2.gz XXFZWXULIPFNPF-ONGXEEELSA-N -1 3 317.744 2.140 20 10 DECDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc3nccnc3c2)no1 ZINC001215325386 801836350 /nfs/dbraw/zinc/83/63/50/801836350.db2.gz QBKFSPPREJPWJV-UHFFFAOYSA-N -1 3 322.280 2.464 20 10 DECDHM COc1cnc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c(C)c1 ZINC001215327772 801836424 /nfs/dbraw/zinc/83/64/24/801836424.db2.gz SAHGEBDJEAJELD-UHFFFAOYSA-N -1 3 315.285 2.232 20 10 DECDHM COc1ccnc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1F ZINC001215328690 801836953 /nfs/dbraw/zinc/83/69/53/801836953.db2.gz MTMXEYXPSMBBBP-UHFFFAOYSA-N -1 3 319.248 2.063 20 10 DECDHM Cc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233454428 802121885 /nfs/dbraw/zinc/12/18/85/802121885.db2.gz UTXFGFYHMSNYBS-UHFFFAOYSA-N -1 3 312.295 2.327 20 10 DECDHM O=C1c2cccc([O-])c2C(=O)c2c(OC[C@@H]3CCO3)cccc21 ZINC001226380008 803101516 /nfs/dbraw/zinc/10/15/16/803101516.db2.gz LLFFMKAGFRPIJC-JTQLQIEISA-N -1 3 310.305 2.335 20 10 DECDHM O=C([O-])C1CC2(C1)CC[C@H](C[NH2+]Cc1cc(F)ccc1[O-])O2 ZINC001594905158 954667368 /nfs/dbraw/zinc/66/73/68/954667368.db2.gz LKZDVOQXEJWVJY-RYCVTPFZSA-N -1 3 309.337 2.033 20 10 DECDHM CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001594989241 982839364 /nfs/dbraw/zinc/83/93/64/982839364.db2.gz IGBYDUDSIMWOJW-GHMZBOCLSA-N -1 3 308.378 2.046 20 10 DECDHM CCOc1ccc(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])c([O-])c1 ZINC001597101880 986721803 /nfs/dbraw/zinc/72/18/03/986721803.db2.gz HHKLUKJPHMAHBC-LBPRGKRZSA-N -1 3 311.403 2.183 20 10 DECDHM CCOc1ccc(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])c([O-])c1 ZINC001597101880 986721810 /nfs/dbraw/zinc/72/18/10/986721810.db2.gz HHKLUKJPHMAHBC-LBPRGKRZSA-N -1 3 311.403 2.183 20 10 DECDHM C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248249 994470786 /nfs/dbraw/zinc/47/07/86/994470786.db2.gz UCAHJBJVHISHSW-YPMHNXCESA-N -1 3 319.357 2.185 20 10 DECDHM C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273889 994623231 /nfs/dbraw/zinc/62/32/31/994623231.db2.gz ZQKBGKYSYQMQMR-UZJPJQLHSA-N -1 3 313.419 2.288 20 10 DECDHM C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604243821 1070293422 /nfs/dbraw/zinc/29/34/22/1070293422.db2.gz SHZWJSDYOKVNSX-WDEREUQCSA-N -1 3 303.362 2.106 20 10 DECDHM CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c([O-])c1 ZINC001605690796 1070839952 /nfs/dbraw/zinc/83/99/52/1070839952.db2.gz QXJZXTPDDXJSKS-SGIREYDYSA-N -1 3 305.374 2.476 20 10 DECDHM CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c([O-])c1 ZINC001605690796 1070839982 /nfs/dbraw/zinc/83/99/82/1070839982.db2.gz QXJZXTPDDXJSKS-SGIREYDYSA-N -1 3 305.374 2.476 20 10 DECDHM C[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])C[C@@H](C(=O)[O-])O1 ZINC001607477196 1071453209 /nfs/dbraw/zinc/45/32/09/1071453209.db2.gz YVSCBJBSYNETDV-NHYWBVRUSA-N -1 3 301.342 2.219 20 10 DECDHM C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])C[C@@H](C(=O)[O-])O1 ZINC001607477196 1071453213 /nfs/dbraw/zinc/45/32/13/1071453213.db2.gz YVSCBJBSYNETDV-NHYWBVRUSA-N -1 3 301.342 2.219 20 10 DECDHM O=C(Nc1c[nH]ccc1=O)c1cc2cc(O)c([O-])cc2s1 ZINC001464822661 1059205308 /nfs/dbraw/zinc/20/53/08/1059205308.db2.gz VGAKCRLUMPVOTP-UHFFFAOYSA-N -1 3 302.311 2.253 20 10 DECDHM COc1ccc(N(C)C(=O)c2cccc(O)c2[O-])c(OC)c1 ZINC001631137139 1078357747 /nfs/dbraw/zinc/35/77/47/1078357747.db2.gz CVFPNVPKZFLIAG-UHFFFAOYSA-N -1 3 303.314 2.392 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001637925220 1078540034 /nfs/dbraw/zinc/54/00/34/1078540034.db2.gz BIYLJCKPWFGSKE-SECBINFHSA-N -1 3 302.286 2.497 20 10 DECDHM Cc1cccc([O-])c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001638347363 1078559527 /nfs/dbraw/zinc/55/95/27/1078559527.db2.gz GOFMJIRNWUXHGQ-NSHDSACASA-N -1 3 301.342 2.473 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@H]1OCCc2ccccc21 ZINC001638864057 1078584295 /nfs/dbraw/zinc/58/42/95/1078584295.db2.gz SJFIDSVXGOLVJA-INIZCTEOSA-N -1 3 301.317 2.462 20 10 DECDHM O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1c([O-])cccc1F ZINC001558456173 1075094481 /nfs/dbraw/zinc/09/44/81/1075094481.db2.gz UJDRXXBZTONTQI-HNNXBMFYSA-N -1 3 315.300 2.449 20 10 DECDHM O=Cc1ccc(OCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001558455736 1075094932 /nfs/dbraw/zinc/09/49/32/1075094932.db2.gz XMZDCYHUGVBABH-UHFFFAOYSA-N -1 3 303.289 2.039 20 10 DECDHM Cc1ncccc1C=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001581557836 1076079700 /nfs/dbraw/zinc/07/97/00/1076079700.db2.gz QZGNBQCGIUHTNP-JXMROGBWSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ncccc1C=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001581557836 1076079705 /nfs/dbraw/zinc/07/97/05/1076079705.db2.gz QZGNBQCGIUHTNP-JXMROGBWSA-N -1 3 320.356 2.246 20 10 DECDHM C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1cncs1 ZINC001589952114 1076533143 /nfs/dbraw/zinc/53/31/43/1076533143.db2.gz LIEIOYPEWAWEMY-IUCAKERBSA-N -1 3 316.390 2.441 20 10 DECDHM C[C@H]([NH2+]CCOC(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589964994 1076538394 /nfs/dbraw/zinc/53/83/94/1076538394.db2.gz XKONCWZKLYKVEC-JTQLQIEISA-N -1 3 305.382 2.038 20 10 DECDHM CC[C@H]([NH2+][C@H](C)CSC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590461347 1076630421 /nfs/dbraw/zinc/63/04/21/1076630421.db2.gz BEYCZQQLOOLVFX-SKDRFNHKSA-N -1 3 307.423 2.365 20 10 DECDHM CC[C@@H]([NH2+]CC1(CC)COC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462826 1076631392 /nfs/dbraw/zinc/63/13/92/1076631392.db2.gz FXBMUSMTSWWOMT-CYBMUJFWSA-N -1 3 317.393 2.040 20 10 DECDHM CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464895 1076632694 /nfs/dbraw/zinc/63/26/94/1076632694.db2.gz RCXLMTUNNOAHGC-GYSYKLTISA-N -1 3 319.409 2.020 20 10 DECDHM CCC(O)(CC)CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590473839 1076636311 /nfs/dbraw/zinc/63/63/11/1076636311.db2.gz WDLSJINHBPAXFX-LLVKDONJSA-N -1 3 319.409 2.164 20 10 DECDHM CCSCCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590853646 1076685731 /nfs/dbraw/zinc/68/57/31/1076685731.db2.gz UZCIIGIXXKBBJU-SNVBAGLBSA-N -1 3 307.423 2.366 20 10 DECDHM Cc1c(C(=O)N2Cc3cccc(O)c3C2)cccc1-c1nnn[n-]1 ZINC001591805307 1076787070 /nfs/dbraw/zinc/78/70/70/1076787070.db2.gz IEYVXJAWZNOQOI-UHFFFAOYSA-N -1 3 321.340 2.037 20 10 DECDHM Cc1c(C(=O)N2Cc3cccc(O)c3C2)cccc1-c1nn[n-]n1 ZINC001591805307 1076787074 /nfs/dbraw/zinc/78/70/74/1076787074.db2.gz IEYVXJAWZNOQOI-UHFFFAOYSA-N -1 3 321.340 2.037 20 10 DECDHM Cc1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cn1 ZINC001592165021 1076864143 /nfs/dbraw/zinc/86/41/43/1076864143.db2.gz DKQUYNQRXQADKU-LLVKDONJSA-N -1 3 310.361 2.127 20 10 DECDHM Cc1cncc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001592300192 1076893135 /nfs/dbraw/zinc/89/31/35/1076893135.db2.gz PKEUNPURIARBJO-NSHDSACASA-N -1 3 310.361 2.127 20 10 DECDHM [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001593538983 1077019392 /nfs/dbraw/zinc/01/93/92/1077019392.db2.gz MJIHFHNCYUJXLJ-UHFFFAOYSA-N -1 3 323.328 2.202 20 10 DECDHM [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001593538983 1077019397 /nfs/dbraw/zinc/01/93/97/1077019397.db2.gz MJIHFHNCYUJXLJ-UHFFFAOYSA-N -1 3 323.328 2.202 20 10 DECDHM Cc1cc(Br)cc(C[NH2+][C@@H](C(=O)[O-])C2CC2)c1[O-] ZINC001600071744 1077131365 /nfs/dbraw/zinc/13/13/65/1077131365.db2.gz FIMLGJQLGNTXON-LLVKDONJSA-N -1 3 314.179 2.416 20 10 DECDHM O=C([O-])[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccc2c(c1)CCO2 ZINC001601675114 1077431125 /nfs/dbraw/zinc/43/11/25/1077431125.db2.gz VDGHWZLILXMEPY-MRXNPFEDSA-N -1 3 317.316 2.382 20 10 DECDHM O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1cccc(O)c1[O-] ZINC001651796484 1079833859 /nfs/dbraw/zinc/83/38/59/1079833859.db2.gz RHSZAOALIUWKRI-RISCZKNCSA-N -1 3 303.289 2.299 20 10 DECDHM COC[C@]1(C(=O)OC)CCCN1Cc1ccc(Cl)cc1[O-] ZINC001658644576 1080213218 /nfs/dbraw/zinc/21/32/18/1080213218.db2.gz AIVNRYMAENYVOO-HNNXBMFYSA-N -1 3 313.781 2.200 20 10 DECDHM COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(Cl)cc1[O-] ZINC001659997218 1080258237 /nfs/dbraw/zinc/25/82/37/1080258237.db2.gz TXJRBASFMPMFLU-STQMWFEESA-N -1 3 313.781 2.246 20 10 DECDHM CCS(=O)(=O)C1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001664470565 1080913407 /nfs/dbraw/zinc/91/34/07/1080913407.db2.gz HPXPQLVRQDOKSW-UHFFFAOYSA-N -1 3 317.838 2.445 20 10 DECDHM CN1CCO[C@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@@H]21 ZINC001276818433 1083627742 /nfs/dbraw/zinc/62/77/42/1083627742.db2.gz BDAAYAQPUSPVAJ-AAEUAGOBSA-N -1 3 317.216 2.214 20 10 DECDHM CCN1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235296545 1084377321 /nfs/dbraw/zinc/37/73/21/1084377321.db2.gz KDGXVDPGIAVDSJ-UHFFFAOYSA-N -1 3 317.202 2.431 20 10 DECDHM [O-]c1cc(Cl)ccc1CN1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001275270652 1091646025 /nfs/dbraw/zinc/64/60/25/1091646025.db2.gz FLZYPRKERFJNCM-UHFFFAOYSA-N -1 3 318.808 2.229 20 10 DECDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCN(CCCO)CC1 ZINC001236794334 1138430488 /nfs/dbraw/zinc/43/04/88/1138430488.db2.gz RMSNEBSLRPGBQE-UHFFFAOYSA-N -1 3 319.232 2.199 20 10 DECDHM CCOC(=O)[C@@H]1COCCN1Cc1cc2ccccc2cc1[O-] ZINC001236836532 1138442028 /nfs/dbraw/zinc/44/20/28/1138442028.db2.gz KIGSOBRUEPYYLI-INIZCTEOSA-N -1 3 315.369 2.309 20 10 DECDHM NC(=O)[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078823 1138500301 /nfs/dbraw/zinc/50/03/01/1138500301.db2.gz XHUYTXDCTGTTDV-QMMMGPOBSA-N -1 3 303.189 2.396 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@H](O)Cc1ccccc1Cl ZINC001303875153 1147336982 /nfs/dbraw/zinc/33/69/82/1147336982.db2.gz BHQFIUZXGCEZPC-OAHLLOKOSA-N -1 3 323.751 2.405 20 10 DECDHM CNC(=O)CC1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079474078 185172939 /nfs/dbraw/zinc/17/29/39/185172939.db2.gz MJVKTNHTBOINMC-UHFFFAOYSA-N -1 3 322.380 2.082 20 10 DECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](C)OC ZINC000182335064 291080842 /nfs/dbraw/zinc/08/08/42/291080842.db2.gz PQSDDQCYRBCJLB-JTQLQIEISA-N -1 3 301.770 2.056 20 10 DECDHM Cc1ccc(C(=O)Nc2cnc3c(c2)COCC3)c([O-])c1O ZINC000371671310 533619802 /nfs/dbraw/zinc/61/98/02/533619802.db2.gz PHPHHKWZPYTXHU-UHFFFAOYSA-N -1 3 300.314 2.126 20 10 DECDHM CN(Cc1noc(C2CCOCC2)n1)Cc1ccccc1[O-] ZINC000111236339 401703212 /nfs/dbraw/zinc/70/32/12/401703212.db2.gz KTEKTJHTFHITSC-UHFFFAOYSA-N -1 3 303.362 2.301 20 10 DECDHM CC(C)NC(=O)CN(C)Cc1cc(Br)ccc1[O-] ZINC000133385043 401884344 /nfs/dbraw/zinc/88/43/44/401884344.db2.gz WPVWLXMRVNSNJL-UHFFFAOYSA-N -1 3 315.211 2.111 20 10 DECDHM COCCCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000117881758 401886397 /nfs/dbraw/zinc/88/63/97/401886397.db2.gz PADOYHDRIDZXMN-UHFFFAOYSA-N -1 3 315.797 2.447 20 10 DECDHM C[C@H](NCc1ncn(C)n1)c1cc(Br)ccc1[O-] ZINC000186213837 402411242 /nfs/dbraw/zinc/41/12/42/402411242.db2.gz IXEXDVHTMTYNEH-QMMMGPOBSA-N -1 3 311.183 2.134 20 10 DECDHM CCN(CC)c1ccc(CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000186947821 402473132 /nfs/dbraw/zinc/47/31/32/402473132.db2.gz LAHGKEIYMMGNSJ-UHFFFAOYSA-N -1 3 315.373 2.269 20 10 DECDHM CCc1ccc([C@H](COC)NC(=O)c2cccc(O)c2[O-])o1 ZINC000187127791 402484099 /nfs/dbraw/zinc/48/40/99/402484099.db2.gz BUAQXNCRYDZZNO-LBPRGKRZSA-N -1 3 305.330 2.371 20 10 DECDHM Cc1nc(C2(NC(=O)c3ccc(C)c(O)c3[O-])CCCC2)no1 ZINC000179447067 402589816 /nfs/dbraw/zinc/58/98/16/402589816.db2.gz FVLLWKCRJSFTJL-UHFFFAOYSA-N -1 3 317.345 2.297 20 10 DECDHM Cc1nc(CN2CCN(Cc3ccccc3[O-])CC2)oc1C ZINC000179569854 402595086 /nfs/dbraw/zinc/59/50/86/402595086.db2.gz KIKNPAIPILNSJQ-UHFFFAOYSA-N -1 3 301.390 2.315 20 10 DECDHM Cc1cc(Cl)cc(CN2CCN(c3ncccn3)CC2)c1[O-] ZINC000183470730 402770453 /nfs/dbraw/zinc/77/04/53/402770453.db2.gz OWXCOHVICYPBMJ-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM CC(C)(C)OC(=O)NC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000279343615 402932666 /nfs/dbraw/zinc/93/26/66/402932666.db2.gz RGNSCDPXUUQVAJ-UHFFFAOYSA-N -1 3 324.377 2.131 20 10 DECDHM Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000282287327 403140319 /nfs/dbraw/zinc/14/03/19/403140319.db2.gz XAXLUJZXTVXEBU-ZDUSSCGKSA-N -1 3 301.346 2.199 20 10 DECDHM CCOC(=O)[C@H](CC)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000276217466 403155010 /nfs/dbraw/zinc/15/50/10/403155010.db2.gz MBRQAHXBRQMEAC-LBPRGKRZSA-N -1 3 307.346 2.044 20 10 DECDHM COc1cc(Cl)cc(CN2CC[S@](=O)C[C@@H](C)C2)c1[O-] ZINC000277627120 403238752 /nfs/dbraw/zinc/23/87/52/403238752.db2.gz XMGUGGIMJOCXNO-FVINQWEUSA-N -1 3 317.838 2.255 20 10 DECDHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2cccc(O)c2[O-])[nH]1 ZINC000277129891 403197524 /nfs/dbraw/zinc/19/75/24/403197524.db2.gz UHJDUNZMYIYWSU-RKDXNWHRSA-N -1 3 304.350 2.220 20 10 DECDHM C[C@H]1C[C@@H](O)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000292728514 403375426 /nfs/dbraw/zinc/37/54/26/403375426.db2.gz GCIZVFHMAFMHSG-KWQFWETISA-N -1 3 300.742 2.299 20 10 DECDHM CCS(=O)(=O)C[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000293655574 403530191 /nfs/dbraw/zinc/53/01/91/403530191.db2.gz PBUVHNTWNWCUSV-MRVPVSSYSA-N -1 3 309.790 2.098 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000365562494 404691596 /nfs/dbraw/zinc/69/15/96/404691596.db2.gz YJJVVLVIRSAJLC-PXAZEXFGSA-N -1 3 323.364 2.114 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCn2cncc2C1 ZINC000367943190 405199129 /nfs/dbraw/zinc/19/91/29/405199129.db2.gz NSXCTFNRZFRETN-UHFFFAOYSA-N -1 3 308.179 2.367 20 10 DECDHM O=C(c1cc([O-])cs1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000101044945 424846491 /nfs/dbraw/zinc/84/64/91/424846491.db2.gz YOUAPAXBHSJEHK-UHFFFAOYSA-N -1 3 323.805 2.465 20 10 DECDHM Oc1ccc2c(c1CNc1ncccc1-c1nnn[n-]1)CCCC2 ZINC000823733568 599064439 /nfs/dbraw/zinc/06/44/39/599064439.db2.gz ZGPAHCRLIWBVFH-UHFFFAOYSA-N -1 3 322.372 2.458 20 10 DECDHM Oc1ccc2c(c1CNc1ncccc1-c1nn[n-]n1)CCCC2 ZINC000823733568 599064440 /nfs/dbraw/zinc/06/44/40/599064440.db2.gz ZGPAHCRLIWBVFH-UHFFFAOYSA-N -1 3 322.372 2.458 20 10 DECDHM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCc2nc[nH]c2C1 ZINC000890761465 623200465 /nfs/dbraw/zinc/20/04/65/623200465.db2.gz SUYLGNFCJWYYHY-SECBINFHSA-N -1 3 305.765 2.190 20 10 DECDHM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCc2[nH]cnc2C1 ZINC000890761465 623200471 /nfs/dbraw/zinc/20/04/71/623200471.db2.gz SUYLGNFCJWYYHY-SECBINFHSA-N -1 3 305.765 2.190 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000921636760 633841543 /nfs/dbraw/zinc/84/15/43/633841543.db2.gz QARNRMRYSNURPY-KMUNFCNLSA-N -1 3 320.364 2.288 20 10 DECDHM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc(O)c1[O-] ZINC000836881080 650140401 /nfs/dbraw/zinc/14/04/01/650140401.db2.gz GUTZXALQYJCBJD-DOMZBBRYSA-N -1 3 314.341 2.143 20 10 DECDHM O=C(NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1)C1CC1 ZINC000893920605 636065334 /nfs/dbraw/zinc/06/53/34/636065334.db2.gz UKHIRTBXVLZFPL-UHFFFAOYSA-N -1 3 310.344 2.161 20 10 DECDHM O=C(NCc1cnc2n1CCCC2)NCc1c([O-])cccc1F ZINC000922397247 636157815 /nfs/dbraw/zinc/15/78/15/636157815.db2.gz IUOKEOUJGUZVJW-UHFFFAOYSA-N -1 3 318.352 2.064 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000923973594 636758663 /nfs/dbraw/zinc/75/86/63/636758663.db2.gz QSPYBRKSPLADHP-PGUXBMHVSA-N -1 3 308.353 2.288 20 10 DECDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cccc2n[n-]nc21 ZINC000187119985 637035333 /nfs/dbraw/zinc/03/53/33/637035333.db2.gz XUMHFWVXZCSCAJ-UHFFFAOYSA-N -1 3 321.384 2.488 20 10 DECDHM Cn1ncc(C2CC2)c1CNC(=O)NCc1c([O-])cccc1F ZINC000923279712 637079932 /nfs/dbraw/zinc/07/99/32/637079932.db2.gz AQOMJVRJPJBDTH-UHFFFAOYSA-N -1 3 318.352 2.142 20 10 DECDHM C[C@](CO)(NCc1cc(F)cc(F)c1[O-])c1cccc(O)c1 ZINC000895389509 637994003 /nfs/dbraw/zinc/99/40/03/637994003.db2.gz PCHYTBOMUDAASP-MRXNPFEDSA-N -1 3 309.312 2.373 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H](CF)C1 ZINC000840955776 650394078 /nfs/dbraw/zinc/39/40/78/650394078.db2.gz ZFBNJKXYTQHKOH-NSHDSACASA-N -1 3 304.159 2.325 20 10 DECDHM O=C([N-]Cc1ccc(N2CCOCC2)cc1)C(F)(F)C(F)F ZINC000749354631 638637241 /nfs/dbraw/zinc/63/72/41/638637241.db2.gz DGFZKHVVINGJAX-UHFFFAOYSA-N -1 3 320.286 2.040 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c([O-])c1O ZINC000751530750 639091176 /nfs/dbraw/zinc/09/11/76/639091176.db2.gz RNICKCNXHYKJSR-UHFFFAOYSA-N -1 3 301.298 2.430 20 10 DECDHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928707018 639485949 /nfs/dbraw/zinc/48/59/49/639485949.db2.gz ZSDLGVGUQRRAGB-JOYOIKCWSA-N -1 3 324.352 2.061 20 10 DECDHM C[C@H](NCc1ccnc(N(C)C)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756790927 639694951 /nfs/dbraw/zinc/69/49/51/639694951.db2.gz PTOTZLCKKWLCJN-JTQLQIEISA-N -1 3 317.349 2.007 20 10 DECDHM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)CN1CCO ZINC000841891681 650595801 /nfs/dbraw/zinc/59/58/01/650595801.db2.gz OOLYHWZQKAPSRL-QWRGUYRKSA-N -1 3 316.804 2.072 20 10 DECDHM [O-]c1cc(Br)ccc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898190205 641055436 /nfs/dbraw/zinc/05/54/36/641055436.db2.gz YVGDNQSISZAGMF-WDEREUQCSA-N -1 3 304.159 2.059 20 10 DECDHM [O-]c1c(Cl)cccc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000775645697 642071823 /nfs/dbraw/zinc/07/18/23/642071823.db2.gz FQTNIWBDZGZCAJ-AWEZNQCLSA-N -1 3 310.825 2.342 20 10 DECDHM O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(O)c1[O-] ZINC000776327484 642159516 /nfs/dbraw/zinc/15/95/16/642159516.db2.gz ROGIMTJJLOUATQ-UHFFFAOYSA-N -1 3 312.325 2.477 20 10 DECDHM CN(CCN(C)C(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000776358233 642161725 /nfs/dbraw/zinc/16/17/25/642161725.db2.gz CKULMWBQZVDJJE-UHFFFAOYSA-N -1 3 324.377 2.037 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2C)c([O-])c1O ZINC000780890149 642684717 /nfs/dbraw/zinc/68/47/17/642684717.db2.gz VZXNLELGFYWTJF-UHFFFAOYSA-N -1 3 300.314 2.066 20 10 DECDHM COC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1O ZINC000780993712 642700686 /nfs/dbraw/zinc/70/06/86/642700686.db2.gz MEIKRFIVTKQZAA-UHFFFAOYSA-N -1 3 317.297 2.151 20 10 DECDHM COc1cc(OC)cc(N(C)C(=O)c2cccc(O)c2[O-])c1 ZINC000787386488 643489587 /nfs/dbraw/zinc/48/95/87/643489587.db2.gz YFVUENXHRAGIOX-UHFFFAOYSA-N -1 3 303.314 2.392 20 10 DECDHM C[C@@H](NCc1cc(Br)ccc1[O-])c1ncnn1C ZINC000788971062 643666336 /nfs/dbraw/zinc/66/63/36/643666336.db2.gz BCJITFWQQAKTCJ-MRVPVSSYSA-N -1 3 311.183 2.134 20 10 DECDHM CCOc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1OC ZINC000790711615 643884081 /nfs/dbraw/zinc/88/40/81/643884081.db2.gz BCHKAASLCDWNST-UHFFFAOYSA-N -1 3 317.341 2.435 20 10 DECDHM COc1ccc(O[C@H](C)CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790798474 643895868 /nfs/dbraw/zinc/89/58/68/643895868.db2.gz HCBKJIIVRFDOAL-LLVKDONJSA-N -1 3 317.341 2.304 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000790906734 643907905 /nfs/dbraw/zinc/90/79/05/643907905.db2.gz VFZLCHGNGUFLQD-UHFFFAOYSA-N -1 3 314.297 2.205 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc([S@@](C)=O)cc1 ZINC000790906890 643908105 /nfs/dbraw/zinc/90/81/05/643908105.db2.gz XTVLPJXSKOLFSD-MLMJSJRWSA-N -1 3 319.382 2.326 20 10 DECDHM O=C(NCc1nc(-c2cccs2)c[nH]1)c1cccc(O)c1[O-] ZINC000792326490 644105152 /nfs/dbraw/zinc/10/51/52/644105152.db2.gz BQNUSGUSVZCCHJ-UHFFFAOYSA-N -1 3 315.354 2.479 20 10 DECDHM CC(C)[C@H]1N(C(=O)c2cccc(O)c2[O-])CC12CCOCC2 ZINC000839871480 645112367 /nfs/dbraw/zinc/11/23/67/645112367.db2.gz AIDUYDFLWWIQTA-OAHLLOKOSA-N -1 3 305.374 2.375 20 10 DECDHM Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)c([O-])c1O ZINC000799825630 645225193 /nfs/dbraw/zinc/22/51/93/645225193.db2.gz PPUBDVCSQKDWBI-UHFFFAOYSA-N -1 3 313.313 2.251 20 10 DECDHM CN(C)c1ccccc1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000811544054 646541759 /nfs/dbraw/zinc/54/17/59/646541759.db2.gz OKKIMHAPJSAHBA-UHFFFAOYSA-N -1 3 300.358 2.436 20 10 DECDHM CC(C)(CO)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816513630 647145335 /nfs/dbraw/zinc/14/53/35/647145335.db2.gz WZYALBFWSSBYST-UHFFFAOYSA-N -1 3 316.804 2.073 20 10 DECDHM COC(=O)C[C@H]1CN(Cc2ccc3ccccc3c2[O-])CCO1 ZINC000816513474 647145364 /nfs/dbraw/zinc/14/53/64/647145364.db2.gz RFSIKSRVIDJFFR-HNNXBMFYSA-N -1 3 315.369 2.309 20 10 DECDHM Cc1noc(C)c1CCNC(=O)NCc1c([O-])cccc1F ZINC000917320712 647992457 /nfs/dbraw/zinc/99/24/57/647992457.db2.gz JVCJKBKSIWAMFZ-UHFFFAOYSA-N -1 3 307.325 2.178 20 10 DECDHM CCN(CC(=O)OC)Cc1ccc(Br)cc1[O-] ZINC000824708298 648640481 /nfs/dbraw/zinc/64/04/81/648640481.db2.gz AGVPJZHEONOUCA-UHFFFAOYSA-N -1 3 302.168 2.150 20 10 DECDHM O=C1OCCN1[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000827000748 648958959 /nfs/dbraw/zinc/95/89/59/648958959.db2.gz NPJPUMYPDZYPNG-JTQLQIEISA-N -1 3 314.744 2.211 20 10 DECDHM CCCN(CCC)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000830184683 649406225 /nfs/dbraw/zinc/40/62/25/649406225.db2.gz MMRNXTWONMJZPI-UHFFFAOYSA-N -1 3 308.350 2.449 20 10 DECDHM CN(C)C1(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000854474039 651486332 /nfs/dbraw/zinc/48/63/32/651486332.db2.gz JCHUHYHYLMOSTR-UHFFFAOYSA-N -1 3 303.189 2.409 20 10 DECDHM COC(=O)Cc1occ(C)c1C(=O)NCc1c([O-])cccc1F ZINC000928706688 693830465 /nfs/dbraw/zinc/83/04/65/693830465.db2.gz VDAHOAOVQQAKDR-UHFFFAOYSA-N -1 3 321.304 2.078 20 10 DECDHM CC(=O)N[C@H](CCC(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928709667 693830916 /nfs/dbraw/zinc/83/09/16/693830916.db2.gz DAQYWFJXPHGPSN-CQSZACIVSA-N -1 3 310.369 2.088 20 10 DECDHM CCc1nn(C)c(CC)c1CC(=O)NCc1c([O-])cccc1F ZINC000928708374 693831204 /nfs/dbraw/zinc/83/12/04/693831204.db2.gz KIRDKAPASVZFDY-UHFFFAOYSA-N -1 3 319.380 2.249 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cc2c([nH]c1=O)CCCC2 ZINC000928712709 693832031 /nfs/dbraw/zinc/83/20/31/693832031.db2.gz XCAXJGCSOYCNOZ-UHFFFAOYSA-N -1 3 316.332 2.441 20 10 DECDHM Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928711188 693832056 /nfs/dbraw/zinc/83/20/56/693832056.db2.gz GSDNLAGVZMYQHT-VIFPVBQESA-N -1 3 305.353 2.302 20 10 DECDHM CCc1noc(CCCC(=O)NCc2c([O-])cccc2F)n1 ZINC000928712250 693832179 /nfs/dbraw/zinc/83/21/79/693832179.db2.gz PGGIWNHLUQHKNZ-UHFFFAOYSA-N -1 3 307.325 2.116 20 10 DECDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCC(=O)N(C)C1 ZINC000862427692 686300500 /nfs/dbraw/zinc/30/05/00/686300500.db2.gz CTNWTOIUBAFGSC-SECBINFHSA-N -1 3 300.761 2.237 20 10 DECDHM CN(C)c1cc(F)c(CN[C@H](Cc2ccco2)C(=O)[O-])cc1F ZINC000864506820 686739922 /nfs/dbraw/zinc/73/99/22/686739922.db2.gz BGQPGUGSDJPEKI-CQSZACIVSA-N -1 3 324.327 2.409 20 10 DECDHM Cn1cnnc1C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876611377 689876460 /nfs/dbraw/zinc/87/64/60/689876460.db2.gz YOCCAYVWAMXZFN-UHFFFAOYSA-N -1 3 308.332 2.179 20 10 DECDHM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2cc(F)ccc2O)C1 ZINC000877776123 690223724 /nfs/dbraw/zinc/22/37/24/690223724.db2.gz YPXYIQUAZPRUMG-CYBMUJFWSA-N 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UVIXQCZVFKMMPD-INIZCTEOSA-N -1 3 313.353 2.484 20 10 DECDHM CC(C)(C)OC(=O)C(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC001148225862 791716033 /nfs/dbraw/zinc/71/60/33/791716033.db2.gz VLCWDRUFRKVHCN-UHFFFAOYSA-N -1 3 309.362 2.196 20 10 DECDHM COc1cc(C(N)=O)ccc1NCc1cc(F)c(F)cc1[O-] ZINC001182327016 795650158 /nfs/dbraw/zinc/65/01/58/795650158.db2.gz NYLPKNPPOSSGMK-UHFFFAOYSA-N -1 3 308.284 2.390 20 10 DECDHM C[C@@H]1CN(C2CN(Cc3c([O-])cccc3Cl)C2)C[C@@H](C)O1 ZINC001140342604 796510767 /nfs/dbraw/zinc/51/07/67/796510767.db2.gz QOAUWLNZXBUUGD-VXGBXAGGSA-N -1 3 310.825 2.339 20 10 DECDHM CS(=O)(=O)C1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467470 796526533 /nfs/dbraw/zinc/52/65/33/796526533.db2.gz VSGLOEOUJRNTML-UHFFFAOYSA-N -1 3 303.811 2.055 20 10 DECDHM Cc1oncc1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC001187389868 796535864 /nfs/dbraw/zinc/53/58/64/796535864.db2.gz BHVUQLHVBBQGFE-UHFFFAOYSA-N -1 3 321.402 2.062 20 10 DECDHM O=C1CCCC2(CCN(Cc3c([O-])cc(F)cc3F)CC2)N1 ZINC001140580413 796541136 /nfs/dbraw/zinc/54/11/36/796541136.db2.gz BAQGQEFPWWZCHP-UHFFFAOYSA-N -1 3 310.344 2.305 20 10 DECDHM [O-]c1cc(F)c(F)cc1CN1CCC(N2CC(F)C2)CC1 ZINC001142524590 796747202 /nfs/dbraw/zinc/74/72/02/796747202.db2.gz CEJUINNQRUQTTM-UHFFFAOYSA-N -1 3 300.324 2.289 20 10 DECDHM N[C@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1F ZINC001204829927 800263246 /nfs/dbraw/zinc/26/32/46/800263246.db2.gz GGXAADVOINLCMU-ZJUUUORDSA-N -1 3 323.593 2.289 20 10 DECDHM CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452565 801669264 /nfs/dbraw/zinc/66/92/64/801669264.db2.gz CHVJJRUFCFAEOE-AWEZNQCLSA-N -1 3 321.373 2.256 20 10 DECDHM CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231452565 801669267 /nfs/dbraw/zinc/66/92/67/801669267.db2.gz CHVJJRUFCFAEOE-AWEZNQCLSA-N -1 3 321.373 2.256 20 10 DECDHM O=C1OCCN1C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335477 802080478 /nfs/dbraw/zinc/08/04/78/802080478.db2.gz WWJCSXXWDIOIEX-UHFFFAOYSA-N -1 3 312.316 2.087 20 10 DECDHM O=c1ccc2c([nH]1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233335176 802080861 /nfs/dbraw/zinc/08/08/61/802080861.db2.gz KJKCJKSNGBJHCM-UHFFFAOYSA-N -1 3 306.312 2.372 20 10 DECDHM COC(=O)[C@@]1(F)CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233451869 802120561 /nfs/dbraw/zinc/12/05/61/802120561.db2.gz CEPRMHHPQXFKMC-CYBMUJFWSA-N -1 3 321.270 2.498 20 10 DECDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC(N2CC(F)C2)C1 ZINC001233451671 802121505 /nfs/dbraw/zinc/12/15/05/802121505.db2.gz UWLBERGNLDHZND-UHFFFAOYSA-N -1 3 304.287 2.249 20 10 DECDHM O=C1C[C@@H]2COC[C@H](C1)N2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455017 802121936 /nfs/dbraw/zinc/12/19/36/802121936.db2.gz SHVBSWKOEQVUDY-TXEJJXNPSA-N -1 3 315.291 2.343 20 10 DECDHM COCCOC1CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233456069 802123571 /nfs/dbraw/zinc/12/35/71/802123571.db2.gz KHZHPJBRDYBIAP-UHFFFAOYSA-N -1 3 305.296 2.258 20 10 DECDHM COc1cc(C)c(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c([O-])c1 ZINC001594054351 958014303 /nfs/dbraw/zinc/01/43/03/958014303.db2.gz ZYDBLJHNJYCARZ-LSDHHAIUSA-N -1 3 305.374 2.252 20 10 DECDHM COc1cc(C)c(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c([O-])c1 ZINC001594054351 958014318 /nfs/dbraw/zinc/01/43/18/958014318.db2.gz ZYDBLJHNJYCARZ-LSDHHAIUSA-N -1 3 305.374 2.252 20 10 DECDHM C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593353208 994975088 /nfs/dbraw/zinc/97/50/88/994975088.db2.gz PZOHLEJATHHBIM-IUODEOHRSA-N -1 3 315.369 2.345 20 10 DECDHM CC[C@@H]([NH2+]CCCCCOC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604057212 1070190904 /nfs/dbraw/zinc/19/09/04/1070190904.db2.gz YMFPGHOOMMPVQS-CQSZACIVSA-N -1 3 319.409 2.430 20 10 DECDHM COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604995478 1070560034 /nfs/dbraw/zinc/56/00/34/1070560034.db2.gz IXYAHMKSIKZDPQ-UWVGGRQHSA-N -1 3 305.382 2.036 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc2c(c1)OCCO2 ZINC001456090538 1057814573 /nfs/dbraw/zinc/81/45/73/1057814573.db2.gz LUXXNUOMYXNJPT-UHFFFAOYSA-N -1 3 303.289 2.233 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@@H](O)CCc1ccccc1 ZINC001471975775 1060353766 /nfs/dbraw/zinc/35/37/66/1060353766.db2.gz GYEMYNDOBXQYKT-INIZCTEOSA-N -1 3 303.333 2.141 20 10 DECDHM COC(=O)c1ccc(F)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001618697790 1078157993 /nfs/dbraw/zinc/15/79/93/1078157993.db2.gz RHUBBHYONVOWDX-UHFFFAOYSA-N -1 3 305.261 2.276 20 10 DECDHM O=C(NCCCSc1ccccn1)c1cccc(O)c1[O-] ZINC001627182594 1078271113 /nfs/dbraw/zinc/27/11/13/1078271113.db2.gz XPOVCEJNMSSXOV-UHFFFAOYSA-N -1 3 304.371 2.405 20 10 DECDHM COc1cc(C(=O)N2Cc3cccc(O)c3C2)cc(OC)c1[O-] ZINC001632708817 1078389481 /nfs/dbraw/zinc/38/94/81/1078389481.db2.gz GEHQZMFALCOXCY-UHFFFAOYSA-N -1 3 315.325 2.271 20 10 DECDHM C[C@](O)(Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001635361199 1078448451 /nfs/dbraw/zinc/44/84/51/1078448451.db2.gz ZOHZHNNFSLLOGW-KRWDZBQOSA-N -1 3 303.333 2.141 20 10 DECDHM O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1cccc(O)c1[O-] ZINC001636676920 1078486955 /nfs/dbraw/zinc/48/69/55/1078486955.db2.gz LQHHCXVXPKUEOA-OAHLLOKOSA-N 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ZINC001302703062 1147314585 /nfs/dbraw/zinc/31/45/85/1147314585.db2.gz JNDDZWPKFKGRKK-UHFFFAOYSA-N -1 3 316.338 2.394 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccnc(-c2ccccn2)n1 ZINC001303875329 1147336828 /nfs/dbraw/zinc/33/68/28/1147336828.db2.gz DKXHJKIZSXUDRQ-UHFFFAOYSA-N -1 3 324.315 2.313 20 10 DECDHM COc1ccc([N+](=O)[O-])c(C(=O)NCc2c([O-])cccc2F)c1 ZINC001303878209 1147336877 /nfs/dbraw/zinc/33/68/77/1147336877.db2.gz MYJCYMDTYIURIL-UHFFFAOYSA-N -1 3 320.276 2.378 20 10 DECDHM CCC(C)(C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094157418 355695297 /nfs/dbraw/zinc/69/52/97/355695297.db2.gz WEJFDDSZRZCKAL-UHFFFAOYSA-N -1 3 314.407 2.024 20 10 DECDHM NS(=O)(=O)c1cccc(NCc2cc(Cl)ccc2[O-])c1 ZINC000019231208 182109710 /nfs/dbraw/zinc/10/97/10/182109710.db2.gz XDNBTPLAJLUQGD-UHFFFAOYSA-N -1 3 312.778 2.305 20 10 DECDHM O=C(/C=C\c1cncc([O-])c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000492476091 249072572 /nfs/dbraw/zinc/07/25/72/249072572.db2.gz RUVGGNSPXPJMPD-PLNGDYQASA-N -1 3 311.297 2.298 20 10 DECDHM Cc1nnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1C ZINC000111232905 401701982 /nfs/dbraw/zinc/70/19/82/401701982.db2.gz RBOJDQKRYWWDAW-HNNXBMFYSA-N -1 3 316.405 2.010 20 10 DECDHM CS(=O)(=O)C[C@@H](NCc1ccccc1[O-])c1ccccc1 ZINC000154934055 402238985 /nfs/dbraw/zinc/23/89/85/402238985.db2.gz HSWIBRGTVBXXMY-OAHLLOKOSA-N -1 3 305.399 2.268 20 10 DECDHM CN1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](c2ccccc2)C1 ZINC000184770376 402298946 /nfs/dbraw/zinc/29/89/46/402298946.db2.gz RRGOQSJPLNCLPK-OAHLLOKOSA-N -1 3 312.369 2.227 20 10 DECDHM CCc1nsc(N2CCN(Cc3ccccc3[O-])CC2)n1 ZINC000179579678 402595414 /nfs/dbraw/zinc/59/54/14/402595414.db2.gz JFWXDZICJCQYEF-UHFFFAOYSA-N -1 3 304.419 2.128 20 10 DECDHM C[C@H](NCCS(C)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192773327 402749238 /nfs/dbraw/zinc/74/92/38/402749238.db2.gz ZWVSBIVQKDRFCI-ZETCQYMHSA-N -1 3 312.218 2.394 20 10 DECDHM COc1c([O-])c(CN(C)C[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000278238652 402862036 /nfs/dbraw/zinc/86/20/36/402862036.db2.gz 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/nfs/dbraw/zinc/83/09/47/801830947.db2.gz AOOGKWUQKZZPSQ-UHFFFAOYSA-N -1 3 318.764 2.426 20 10 DECDHM COc1cc([O-])c(CN2CCc3ncn(C)c3C2)cc1Cl ZINC001232271190 801835330 /nfs/dbraw/zinc/83/53/30/801835330.db2.gz QBFLKOFXALIXRU-UHFFFAOYSA-N -1 3 307.781 2.346 20 10 DECDHM [O-]c1c(O)cc(-c2nc(-c3ccc4c(c3)OCO4)no2)cc1O ZINC001215327613 801835645 /nfs/dbraw/zinc/83/56/45/801835645.db2.gz KUCIHFXBIHMHBQ-UHFFFAOYSA-N -1 3 314.253 2.249 20 10 DECDHM C[C@@H]1[C@H](CO)CCN1Cc1c([O-])cc(Br)cc1F ZINC001233027454 802007007 /nfs/dbraw/zinc/00/70/07/802007007.db2.gz SETUKECWXVOITR-BDAKNGLRSA-N -1 3 318.186 2.497 20 10 DECDHM CCN(Cc1cc(Br)c(OC)cc1[O-])C1COC1 ZINC001233140762 802034435 /nfs/dbraw/zinc/03/44/35/802034435.db2.gz TWFFCTSMRVVMNQ-UHFFFAOYSA-N -1 3 316.195 2.384 20 10 DECDHM Nc1ccc(CC(=O)Nc2ncc([O-])cc2Br)cc1 ZINC001218702162 802228148 /nfs/dbraw/zinc/22/81/48/802228148.db2.gz MPASNLRKPHDYLD-UHFFFAOYSA-N -1 3 322.162 2.313 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC1Cc2ccccc2C1 ZINC001225830132 803018053 /nfs/dbraw/zinc/01/80/53/803018053.db2.gz HBRAWKZJNATDMN-UHFFFAOYSA-N -1 3 300.333 2.498 20 10 DECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1CCOC1=O ZINC001227937833 803297223 /nfs/dbraw/zinc/29/72/23/803297223.db2.gz NUGHAFHZUBWCLO-CYBMUJFWSA-N -1 3 314.293 2.023 20 10 DECDHM C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272929 994616443 /nfs/dbraw/zinc/61/64/43/994616443.db2.gz VCNVKKUWUHRAOT-PRHODGIISA-N -1 3 301.289 2.165 20 10 DECDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1ccccc1O ZINC001607084679 1071293253 /nfs/dbraw/zinc/29/32/53/1071293253.db2.gz SJMMPKYGOBUTBU-UHFFFAOYSA-N -1 3 312.289 2.093 20 10 DECDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1ccccc1O ZINC001607084679 1071293260 /nfs/dbraw/zinc/29/32/60/1071293260.db2.gz SJMMPKYGOBUTBU-UHFFFAOYSA-N -1 3 312.289 2.093 20 10 DECDHM COc1ccc(O)c([C@@H](C)NCc2ccc(C(=O)[O-])cn2)c1 ZINC001607277076 1071393028 /nfs/dbraw/zinc/39/30/28/1071393028.db2.gz PEGAOUQVUBMKMJ-SNVBAGLBSA-N -1 3 302.330 2.345 20 10 DECDHM CC(C)N(CCS(C)(=O)=O)Cc1ccc(Cl)cc1[O-] ZINC001461909582 1058732172 /nfs/dbraw/zinc/73/21/72/1058732172.db2.gz YRNPFJYKSONWJX-UHFFFAOYSA-N -1 3 305.827 2.301 20 10 DECDHM O=C(NCc1c([O-])cccc1F)[C@H](O)CCc1ccccc1 ZINC001471975776 1060352857 /nfs/dbraw/zinc/35/28/57/1060352857.db2.gz GYEMYNDOBXQYKT-MRXNPFEDSA-N -1 3 303.333 2.141 20 10 DECDHM COC(=O)c1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001471974409 1060355013 /nfs/dbraw/zinc/35/50/13/1060355013.db2.gz CFWRRTIHGPPUDD-UHFFFAOYSA-N -1 3 303.289 2.248 20 10 DECDHM CS(=O)(=O)C[C@@H]1CCCCN1Cc1ccc(Cl)cc1[O-] ZINC001474523821 1060887970 /nfs/dbraw/zinc/88/79/70/1060887970.db2.gz JKRFBSSTNYDBJQ-ZDUSSCGKSA-N -1 3 317.838 2.445 20 10 DECDHM CCOC(=O)C[C@](C)(NC(=O)c1cccc(O)c1[O-])C(C)C ZINC001567882046 1064482281 /nfs/dbraw/zinc/48/22/81/1064482281.db2.gz YMHABKOVZPTRRY-INIZCTEOSA-N -1 3 309.362 2.196 20 10 DECDHM Cc1nccnc1N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001621283842 1078171904 /nfs/dbraw/zinc/17/19/04/1078171904.db2.gz FEEMNFKEYSUVJH-UHFFFAOYSA-N -1 3 318.808 2.466 20 10 DECDHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(OC)c1 ZINC001640011246 1078636429 /nfs/dbraw/zinc/63/64/29/1078636429.db2.gz HLOQLNYBCPSPLU-CQSZACIVSA-N -1 3 317.341 2.224 20 10 DECDHM C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001646028346 1079082020 /nfs/dbraw/zinc/08/20/20/1079082020.db2.gz GFXGVDDIOYFIAK-QLJPJBMISA-N -1 3 317.316 2.376 20 10 DECDHM O=C(C[C@@H](O)c1cccc(F)c1)NCc1c([O-])cccc1F ZINC001558455715 1075094389 /nfs/dbraw/zinc/09/43/89/1075094389.db2.gz XGXARFABHHTAGU-OAHLLOKOSA-N -1 3 307.296 2.410 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cnc(-c2ccccn2)nc1 ZINC001558457767 1075094727 /nfs/dbraw/zinc/09/47/27/1075094727.db2.gz TXCBLYZKWWMYEV-UHFFFAOYSA-N -1 3 324.315 2.313 20 10 DECDHM C[C@H]1OCC[C@@]12CN(Cc1cc(F)c(F)cc1[O-])C[C@@H](C)O2 ZINC001560803654 1075146051 /nfs/dbraw/zinc/14/60/51/1075146051.db2.gz CDCADHYADBIEQO-GLKRBJQHSA-N -1 3 313.344 2.439 20 10 DECDHM CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591359490 1076733601 /nfs/dbraw/zinc/73/36/01/1076733601.db2.gz DBTUDPPCQTXZTQ-JTNHKYCSSA-N -1 3 317.393 2.038 20 10 DECDHM COc1ccc(CNc2cc(F)ccc2-c2nnn[n-]2)c(O)c1 ZINC001591601232 1076763163 /nfs/dbraw/zinc/76/31/63/1076763163.db2.gz BHZXCKAQLZFCMA-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM COc1ccc(CNc2cc(F)ccc2-c2nn[n-]n2)c(O)c1 ZINC001591601232 1076763164 /nfs/dbraw/zinc/76/31/64/1076763164.db2.gz BHZXCKAQLZFCMA-UHFFFAOYSA-N -1 3 315.308 2.332 20 10 DECDHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1O ZINC001591769460 1076780993 /nfs/dbraw/zinc/78/09/93/1076780993.db2.gz SUJHDOADTGXRMZ-JTQLQIEISA-N -1 3 309.329 2.063 20 10 DECDHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1O ZINC001591769460 1076780997 /nfs/dbraw/zinc/78/09/97/1076780997.db2.gz SUJHDOADTGXRMZ-JTQLQIEISA-N -1 3 309.329 2.063 20 10 DECDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1Cc2cccc(O)c2C1 ZINC001593242981 1076984550 /nfs/dbraw/zinc/98/45/50/1076984550.db2.gz QSCCPLVUQLHXAU-UHFFFAOYSA-N -1 3 322.328 2.120 20 10 DECDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1Cc2cccc(O)c2C1 ZINC001593242981 1076984552 /nfs/dbraw/zinc/98/45/52/1076984552.db2.gz QSCCPLVUQLHXAU-UHFFFAOYSA-N -1 3 322.328 2.120 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cccc(-n2cccn2)n1 ZINC001596910920 1077084393 /nfs/dbraw/zinc/08/43/93/1077084393.db2.gz AXMJYZZNTROAHR-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cccc2c1OCCO2 ZINC001596911367 1077084749 /nfs/dbraw/zinc/08/47/49/1077084749.db2.gz FPCGZQBFUGQNTO-UHFFFAOYSA-N -1 3 303.289 2.233 20 10 DECDHM Cn1c2ccc(F)cc2c(CN2CCC(C)(O)CC2)c1C(=O)[O-] ZINC001600901504 1077299297 /nfs/dbraw/zinc/29/92/97/1077299297.db2.gz ICAYIBXJMNWGLN-UHFFFAOYSA-N -1 3 320.364 2.362 20 10 DECDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1Sc1nccs1 ZINC001609601593 1077882625 /nfs/dbraw/zinc/88/26/25/1077882625.db2.gz PJVVQMIGTQOGIF-UHFFFAOYSA-N -1 3 306.332 2.383 20 10 DECDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1Sc1nccs1 ZINC001609601593 1077882628 /nfs/dbraw/zinc/88/26/28/1077882628.db2.gz PJVVQMIGTQOGIF-UHFFFAOYSA-N -1 3 306.332 2.383 20 10 DECDHM Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610568015 1078043393 /nfs/dbraw/zinc/04/33/93/1078043393.db2.gz DTHRGEQESIFXAM-SNVBAGLBSA-N -1 3 317.389 2.334 20 10 DECDHM Cc1cc([O-])c(CN[C@@H](C(N)=O)c2ccccn2)cc1Cl ZINC001652520458 1079881554 /nfs/dbraw/zinc/88/15/54/1079881554.db2.gz ZZLYCDWSNYHLKC-CQSZACIVSA-N -1 3 305.765 2.065 20 10 DECDHM CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001658988252 1080224664 /nfs/dbraw/zinc/22/46/64/1080224664.db2.gz JKIDPXZSXMWTLL-CYBMUJFWSA-N -1 3 317.838 2.445 20 10 DECDHM COC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(Cl)cc1[O-] ZINC001659997215 1080258660 /nfs/dbraw/zinc/25/86/60/1080258660.db2.gz TXJRBASFMPMFLU-CHWSQXEVSA-N -1 3 313.781 2.246 20 10 DECDHM O=S1(=O)CCN(Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234998136 1084264295 /nfs/dbraw/zinc/26/42/95/1084264295.db2.gz FZMDKSKDAARVFS-UHFFFAOYSA-N -1 3 317.410 2.290 20 10 DECDHM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H](CO)C1 ZINC001235301837 1084378728 /nfs/dbraw/zinc/37/87/28/1084378728.db2.gz JKTXDTXQBKECIG-MRVPVSSYSA-N -1 3 304.159 2.108 20 10 DECDHM COC[C@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000705847794 1086626728 /nfs/dbraw/zinc/62/67/28/1086626728.db2.gz HKDSBCQOTMSHGT-GFCCVEGCSA-N -1 3 316.195 2.002 20 10 DECDHM C[C@H](C[S@](C)=O)N(C)Cc1c([O-])cccc1Br ZINC000707141646 1086658855 /nfs/dbraw/zinc/65/88/55/1086658855.db2.gz FPQBLUGOOPBXRQ-XLFHBGCDSA-N -1 3 320.252 2.354 20 10 DECDHM COC(=O)CN(Cc1cc(C)n[nH]1)Cc1cc(Cl)ccc1[O-] ZINC001319950244 1140805987 /nfs/dbraw/zinc/80/59/87/1140805987.db2.gz KFORACHTUQNRJV-UHFFFAOYSA-N -1 3 323.780 2.252 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc(C(N)=O)c2C)c([O-])c1O ZINC001320793163 1140925518 /nfs/dbraw/zinc/92/55/18/1140925518.db2.gz PBPRAOZCTIIXNB-UHFFFAOYSA-N -1 3 300.314 2.066 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001342739601 1143833523 /nfs/dbraw/zinc/83/35/23/1143833523.db2.gz MXABOPMUKFYHSL-OLZOCXBDSA-N -1 3 305.374 2.377 20 10 DECDHM COC(=O)/C=C/c1ccc(C(=O)NCc2c([O-])cccc2F)o1 ZINC001303876369 1147337454 /nfs/dbraw/zinc/33/74/54/1147337454.db2.gz ZABLZLFFQUXBAK-SOFGYWHQSA-N -1 3 319.288 2.241 20 10 DECDHM C[C@H](O)CN1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000294619710 224123753 /nfs/dbraw/zinc/12/37/53/224123753.db2.gz JCOZPIWMXJNRHW-QWRGUYRKSA-N -1 3 316.804 2.072 20 10 DECDHM CCOC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])cn1C ZINC000272784735 130063496 /nfs/dbraw/zinc/06/34/96/130063496.db2.gz VRUGTYPPFMWRPZ-UHFFFAOYSA-N -1 3 318.329 2.174 20 10 DECDHM CS(=O)(=O)C1(CNCc2c([O-])cccc2Cl)CCCC1 ZINC000285477122 131172484 /nfs/dbraw/zinc/17/24/84/131172484.db2.gz LDURODZQZCCSNC-UHFFFAOYSA-N -1 3 317.838 2.493 20 10 DECDHM Cn1cc(N2CCN(Cc3c([O-])cccc3Cl)CC2)cn1 ZINC000126098819 402264529 /nfs/dbraw/zinc/26/45/29/402264529.db2.gz YLQHJZAPDSYGBB-UHFFFAOYSA-N -1 3 306.797 2.101 20 10 DECDHM Cn1cc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000126079702 402263078 /nfs/dbraw/zinc/26/30/78/402263078.db2.gz FFJUVDPJGQLYIH-UHFFFAOYSA-N -1 3 306.797 2.101 20 10 DECDHM O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000187201073 402487434 /nfs/dbraw/zinc/48/74/34/402487434.db2.gz JWPCGFHYTBJYFO-MRXNPFEDSA-N -1 3 313.353 2.341 20 10 DECDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1n1ccnc1 ZINC000193133459 402766655 /nfs/dbraw/zinc/76/66/55/402766655.db2.gz KTFGTUYHCNTHGR-AAEUAGOBSA-N -1 3 301.346 2.018 20 10 DECDHM COc1c([O-])c(CN(C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000278487491 402867075 /nfs/dbraw/zinc/86/70/75/402867075.db2.gz KVAWZRXFZBJZLQ-UHFFFAOYSA-N -1 3 303.318 2.336 20 10 DECDHM COc1c([O-])c(CN[C@H](C)c2cnn(C)c2C)ccc1[N+](=O)[O-] ZINC000278570127 402868510 /nfs/dbraw/zinc/86/85/10/402868510.db2.gz CTSJDHFJRBMQPQ-SECBINFHSA-N -1 3 320.349 2.202 20 10 DECDHM Cc1ccc(C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c([O-])c1O ZINC000280194641 402973688 /nfs/dbraw/zinc/97/36/88/402973688.db2.gz WBFDLVMLZDRSFH-JTQLQIEISA-N -1 3 317.345 2.276 20 10 DECDHM CCCOc1ccc(CN2CC[S@@](=O)C[C@@H](C)C2)c([O-])c1 ZINC000277572755 403232479 /nfs/dbraw/zinc/23/24/79/403232479.db2.gz SSNMIXYMOOGBJN-YEJXKQKISA-N -1 3 311.447 2.381 20 10 DECDHM Cc1ccc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c([O-])c1O ZINC000295077802 403752550 /nfs/dbraw/zinc/75/25/50/403752550.db2.gz ZFZFKLNAPLFTPA-NVXWUHKLSA-N -1 3 303.358 2.190 20 10 DECDHM CCCOc1ccc(CN2CCOC[C@H]2CCOC)c([O-])c1 ZINC000291146248 404375951 /nfs/dbraw/zinc/37/59/51/404375951.db2.gz YWAVHERWSMISMT-OAHLLOKOSA-N -1 3 309.406 2.418 20 10 DECDHM CC(C)NC(=O)CN[C@@H](C)c1cc(Br)ccc1[O-] ZINC000181007204 519708572 /nfs/dbraw/zinc/70/85/72/519708572.db2.gz BEQDIWXPAUOKJL-VIFPVBQESA-N -1 3 315.211 2.330 20 10 DECDHM CCN1CCc2nc(NC(=O)c3cccc(O)c3[O-])sc2C1 ZINC000192957894 527904352 /nfs/dbraw/zinc/90/43/52/527904352.db2.gz VJGNTGAYKFTWJE-UHFFFAOYSA-N -1 3 319.386 2.185 20 10 DECDHM CCC(=O)N1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000371886207 528306101 /nfs/dbraw/zinc/30/61/01/528306101.db2.gz QKMCJENLYIQMBQ-UHFFFAOYSA-N -1 3 322.380 2.178 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NC[C@@](C)(O)C(F)(F)F)c1 ZINC000273343704 536792254 /nfs/dbraw/zinc/79/22/54/536792254.db2.gz AENIBZLETUPKKH-ISVAXAHUSA-N -1 3 321.295 2.143 20 10 DECDHM COc1ccc2c(c1)CCN2Cc1cc(-c2nnn[n-]2)cs1 ZINC000821850177 607442955 /nfs/dbraw/zinc/44/29/55/607442955.db2.gz XVZCQMVCVJUXFJ-UHFFFAOYSA-N -1 3 313.386 2.500 20 10 DECDHM COc1ccc2c(c1)CCN2Cc1cc(-c2nn[n-]n2)cs1 ZINC000821850177 607442957 /nfs/dbraw/zinc/44/29/57/607442957.db2.gz XVZCQMVCVJUXFJ-UHFFFAOYSA-N -1 3 313.386 2.500 20 10 DECDHM O=C(CCCCc1cn[nH]n1)NCc1cccc(Cl)c1[O-] ZINC000890759524 623197749 /nfs/dbraw/zinc/19/77/49/623197749.db2.gz MPUHZVJZHVHRPM-UHFFFAOYSA-N -1 3 308.769 2.193 20 10 DECDHM CCOCCO[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894093556 636110670 /nfs/dbraw/zinc/11/06/70/636110670.db2.gz GRIMCAIHCDXXKI-ZDUSSCGKSA-N -1 3 301.333 2.298 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H]2NC(=O)c3cccc(C)c3N2)c1 ZINC000726796840 636471360 /nfs/dbraw/zinc/47/13/60/636471360.db2.gz KAWHUPANJAOTQA-OAHLLOKOSA-N -1 3 312.325 2.341 20 10 DECDHM CC(=O)Nc1cc(NC(=O)c2cccc(O)c2[O-])ccc1F ZINC000186862395 636575892 /nfs/dbraw/zinc/57/58/92/636575892.db2.gz QQFKHYGXIKOZTB-UHFFFAOYSA-N -1 3 304.277 2.448 20 10 DECDHM Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc(O)c1[O-] ZINC000186873288 636577568 /nfs/dbraw/zinc/57/75/68/636577568.db2.gz SXBUHAPQBYPOFZ-UHFFFAOYSA-N -1 3 314.341 2.083 20 10 DECDHM COc1ccc(N2CC[C@H](CNc3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000894269201 636629195 /nfs/dbraw/zinc/62/91/95/636629195.db2.gz QOPVJFVCRCZNGZ-CYBMUJFWSA-N -1 3 314.389 2.438 20 10 DECDHM O=C(Nc1cnn(CC(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000187108494 637009774 /nfs/dbraw/zinc/00/97/74/637009774.db2.gz QBUBDNRBQAKGNK-UHFFFAOYSA-N -1 3 301.224 2.109 20 10 DECDHM COc1cc(Cl)cc([C@@H]2NC3(CCCC3)C(=O)N2C)c1[O-] ZINC000758820350 639997127 /nfs/dbraw/zinc/99/71/27/639997127.db2.gz OQAOCPFKKFDUBH-CYBMUJFWSA-N -1 3 310.781 2.427 20 10 DECDHM C[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1O ZINC000897675787 640898746 /nfs/dbraw/zinc/89/87/46/640898746.db2.gz CAGVVBWZNXSKGU-WRWORJQWSA-N -1 3 304.159 2.106 20 10 DECDHM [O-]c1cccc(Br)c1CN1CC[C@H](O)[C@H](F)C1 ZINC000898187778 641053666 /nfs/dbraw/zinc/05/36/66/641053666.db2.gz IZYFWVPNGJOYSB-PWSUYJOCSA-N -1 3 304.159 2.059 20 10 DECDHM [O-]c1cccc(Br)c1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898187776 641054127 /nfs/dbraw/zinc/05/41/27/641054127.db2.gz IZYFWVPNGJOYSB-CMPLNLGQSA-N -1 3 304.159 2.059 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898194386 641056355 /nfs/dbraw/zinc/05/63/55/641056355.db2.gz YKDMKSGSGWZKQK-CMPLNLGQSA-N -1 3 304.159 2.059 20 10 DECDHM Cc1ccc(C(=O)Nc2ccccc2Cn2cncn2)c([O-])c1O ZINC000770487714 641375995 /nfs/dbraw/zinc/37/59/95/641375995.db2.gz UVQBWCQWBJBHOJ-UHFFFAOYSA-N -1 3 324.340 2.298 20 10 DECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(NC(N)=O)cc1 ZINC000776624043 642193459 /nfs/dbraw/zinc/19/34/59/642193459.db2.gz SWNVBNQCHCSAMJ-VIFPVBQESA-N -1 3 315.329 2.079 20 10 DECDHM Cc1cc(Cl)cc(C[NH2+]C2(c3nnn[n-]3)CCCC2)c1[O-] ZINC000779431713 642499050 /nfs/dbraw/zinc/49/90/50/642499050.db2.gz CIGYPAIOKVIMKX-UHFFFAOYSA-N -1 3 307.785 2.426 20 10 DECDHM CN(CC1CC1)S(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901962749 642849331 /nfs/dbraw/zinc/84/93/31/642849331.db2.gz MIJCIYPSBLJGKY-UHFFFAOYSA-N -1 3 308.762 2.183 20 10 DECDHM Cc1ccc(CNCc2c([O-])ccc(Cl)c2F)c(=O)n1C ZINC000785520887 643244718 /nfs/dbraw/zinc/24/47/18/643244718.db2.gz HAVXYXGRQXWUOZ-UHFFFAOYSA-N -1 3 310.756 2.482 20 10 DECDHM COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[O-])C23CCC3)c([O-])c1 ZINC000904237164 643616276 /nfs/dbraw/zinc/61/62/76/643616276.db2.gz ZVZNKGHXTLJLHP-KBPBESRZSA-N -1 3 306.362 2.069 20 10 DECDHM COC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000789861282 643783341 /nfs/dbraw/zinc/78/33/41/643783341.db2.gz UPIAOIXHKWRDLJ-AWEZNQCLSA-N -1 3 315.369 2.428 20 10 DECDHM Cc1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])c2ccnn2C)c1[O-] ZINC000843037666 650873406 /nfs/dbraw/zinc/87/34/06/650873406.db2.gz AMSWHRCDUPUSJC-LBPRGKRZSA-N -1 3 309.753 2.003 20 10 DECDHM CC1(C)CS(=O)(=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000843408514 650968387 /nfs/dbraw/zinc/96/83/87/650968387.db2.gz GHZARYPNCGJKJB-UHFFFAOYSA-N -1 3 303.811 2.055 20 10 DECDHM COCCn1cc(CNCc2cc(Cl)cc(F)c2[O-])cn1 ZINC000800526686 645284226 /nfs/dbraw/zinc/28/42/26/645284226.db2.gz BVACSYLDMPPHPF-UHFFFAOYSA-N -1 3 313.760 2.317 20 10 DECDHM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000804483907 645779558 /nfs/dbraw/zinc/77/95/58/645779558.db2.gz JKDJWGGVMUWSRW-XHDPSFHLSA-N -1 3 301.342 2.258 20 10 DECDHM CN1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838669 645992588 /nfs/dbraw/zinc/99/25/88/645992588.db2.gz NQHLZWGEECFPRR-NSHDSACASA-N -1 3 303.189 2.409 20 10 DECDHM O=C(NCCCCn1ccnc1)NCc1c([O-])cccc1F ZINC000914308769 647262132 /nfs/dbraw/zinc/26/21/32/647262132.db2.gz ZPXDTKHVSORTQK-UHFFFAOYSA-N -1 3 306.341 2.007 20 10 DECDHM Cc1nccn1C[C@@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000915664207 647597842 /nfs/dbraw/zinc/59/78/42/647597842.db2.gz ZCECTJIGRRJMMB-NSHDSACASA-N -1 3 320.368 2.172 20 10 DECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCC2(CCC2)O1 ZINC000924022389 648168823 /nfs/dbraw/zinc/16/88/23/648168823.db2.gz OEGRWZWDCMTKRM-NSHDSACASA-N -1 3 308.353 2.432 20 10 DECDHM Cc1cc([O-])c(CN(C)[C@@H](C)CS(C)(=O)=O)cc1Cl ZINC000824809686 648655460 /nfs/dbraw/zinc/65/54/60/648655460.db2.gz YRNWPJLUGUHIIN-JTQLQIEISA-N -1 3 305.827 2.219 20 10 DECDHM Cc1cc([O-])c(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc1Cl ZINC000824851109 648662312 /nfs/dbraw/zinc/66/23/12/648662312.db2.gz SQQAZHREXZDKLV-QWRGUYRKSA-N -1 3 317.838 2.361 20 10 DECDHM CCn1ccnc1[C@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000825006068 648684450 /nfs/dbraw/zinc/68/44/50/648684450.db2.gz XVJSOVKXWKXIGS-JTQLQIEISA-N -1 3 320.349 2.376 20 10 DECDHM Cc1cc([O-])c(CN2CCC[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000825520187 648774882 /nfs/dbraw/zinc/77/48/82/648774882.db2.gz VSBFEQGAQUUDPS-GFCCVEGCSA-N -1 3 317.838 2.363 20 10 DECDHM CC(C)C1(O)CN(Cc2ccc(Br)cc2[O-])C1 ZINC000826113866 648851616 /nfs/dbraw/zinc/85/16/16/648851616.db2.gz QPHVDBMGFXCFIT-UHFFFAOYSA-N -1 3 300.196 2.357 20 10 DECDHM O=C1OCCN1C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000827740573 649078493 /nfs/dbraw/zinc/07/84/93/649078493.db2.gz BUMFKAFTVYFFHB-UHFFFAOYSA-N -1 3 310.781 2.462 20 10 DECDHM COc1c([O-])c(CN2C[C@H]3[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000846112508 651308370 /nfs/dbraw/zinc/30/83/70/651308370.db2.gz RCXHZTPURJCIQI-DTORHVGOSA-N -1 3 300.261 2.006 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2nccn2C)c1 ZINC000850571889 651954847 /nfs/dbraw/zinc/95/48/47/651954847.db2.gz DKHJMZIKGMTFSB-WDEREUQCSA-N -1 3 303.362 2.324 20 10 DECDHM CCCN(CC(=O)NC)Cc1cccc(Br)c1[O-] ZINC000133292060 684217677 /nfs/dbraw/zinc/21/76/77/684217677.db2.gz FFDALHATNJMSMF-UHFFFAOYSA-N -1 3 315.211 2.113 20 10 DECDHM C[C@@H](CS(C)(=O)=O)N(Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000093392309 684049368 /nfs/dbraw/zinc/04/93/68/684049368.db2.gz QHINJDSDZIZROJ-JTQLQIEISA-N -1 3 317.838 2.443 20 10 DECDHM CCc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c([O-])c1 ZINC000188445506 684356929 /nfs/dbraw/zinc/35/69/29/684356929.db2.gz GXFITANOHIIGKY-UHFFFAOYSA-N -1 3 301.342 2.338 20 10 DECDHM CCCNC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000192988114 684462015 /nfs/dbraw/zinc/46/20/15/684462015.db2.gz GKQTZUZGWSYAID-UHFFFAOYSA-N -1 3 314.341 2.490 20 10 DECDHM CCOC(=O)CN(C)Cc1c([O-])cccc1Br ZINC000862215992 686255638 /nfs/dbraw/zinc/25/56/38/686255638.db2.gz IFQAVMHKOCZCHJ-UHFFFAOYSA-N -1 3 302.168 2.150 20 10 DECDHM COC(=O)[C@@]1(NC(=O)c2cccc(O)c2[O-])CCCC(C)(C)C1 ZINC000862728904 686365980 /nfs/dbraw/zinc/36/59/80/686365980.db2.gz AAWGCDOATGCRMQ-QGZVFWFLSA-N -1 3 321.373 2.340 20 10 DECDHM [O-]c1ccc(Br)cc1CN1CCSC[C@H]1CO ZINC000877779189 690225239 /nfs/dbraw/zinc/22/52/39/690225239.db2.gz ALNDKBDBNRKXMM-LLVKDONJSA-N -1 3 318.236 2.064 20 10 DECDHM COCCOc1ncccc1CNCc1cc(F)cc(F)c1[O-] ZINC000882891986 691380493 /nfs/dbraw/zinc/38/04/93/691380493.db2.gz JYAJPEXPCVZILL-UHFFFAOYSA-N -1 3 324.327 2.380 20 10 DECDHM C[C@H](NCCS(=O)(=O)CC1CC1)c1c([O-])cccc1F ZINC000886551484 692107998 /nfs/dbraw/zinc/10/79/98/692107998.db2.gz IVQDEOYVYCJSIH-JTQLQIEISA-N -1 3 301.383 2.007 20 10 DECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1c1ccccc1 ZINC000890195210 692887996 /nfs/dbraw/zinc/88/79/96/692887996.db2.gz OWRXXFNCVMOXIR-ZDUSSCGKSA-N -1 3 312.369 2.449 20 10 DECDHM CCOC(=O)N[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001332691090 1149880869 /nfs/dbraw/zinc/88/08/69/1149880869.db2.gz PJSRTUCCSMOGCI-LBPRGKRZSA-N -1 3 314.332 2.381 20 10 DECDHM CN(C)C1CN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299490 790849584 /nfs/dbraw/zinc/84/95/84/790849584.db2.gz YFBKCECQYKSUFM-UHFFFAOYSA-N -1 3 303.175 2.040 20 10 DECDHM O=C(NCCc1ccc2[nH]ccc2c1)c1cc(O)c([O-])c(O)c1 ZINC000170190598 789475755 /nfs/dbraw/zinc/47/57/55/789475755.db2.gz USZSWLBFCXNZJX-UHFFFAOYSA-N -1 3 312.325 2.257 20 10 DECDHM COc1cc2c(cc1C)C[C@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC001148220137 791715102 /nfs/dbraw/zinc/71/51/02/791715102.db2.gz SKLBSHSVIUQDOJ-ZDUSSCGKSA-N -1 3 313.353 2.312 20 10 DECDHM CCOC[C@H]1CN(Cc2cccc(F)c2[O-])Cc2cnn(C)c21 ZINC001138124989 796166585 /nfs/dbraw/zinc/16/65/85/796166585.db2.gz GIPXEDADPGRWJS-CQSZACIVSA-N -1 3 319.380 2.401 20 10 DECDHM COC[C@@H]1CN(Cc2cccc(F)c2[O-])Cc2cn(C)nc21 ZINC001138125191 796167442 /nfs/dbraw/zinc/16/74/42/796167442.db2.gz KLBAOOZCVUPLQF-ZDUSSCGKSA-N -1 3 305.353 2.011 20 10 DECDHM COc1ncnc2c1CCN(Cc1c([O-])cccc1Cl)C2 ZINC001140341492 796509933 /nfs/dbraw/zinc/50/99/33/796509933.db2.gz RFXQGXBCBDPRHJ-UHFFFAOYSA-N -1 3 305.765 2.403 20 10 DECDHM COC(=O)CC[C@@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001140468409 796525731 /nfs/dbraw/zinc/52/57/31/796525731.db2.gz JOSQTQTWYZCYRD-CYBMUJFWSA-N -1 3 313.781 2.200 20 10 DECDHM N=C(NC(=O)c1ccc([O-])c(O)c1Cl)c1ccc(F)cn1 ZINC001193236940 797528774 /nfs/dbraw/zinc/52/87/74/797528774.db2.gz UJTAGACOYVRXML-UHFFFAOYSA-N -1 3 309.684 2.041 20 10 DECDHM [O-]c1ccc(Br)cc1CN1C[C@H](F)C[C@@H](CO)C1 ZINC001203635638 800096543 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O=C1CN(Cc2ccc(C(F)(F)F)cc2[O-])C[C@@H]2CCCN12 ZINC001233455032 802121062 /nfs/dbraw/zinc/12/10/62/802121062.db2.gz SSZFHPOBWSOICI-LBPRGKRZSA-N -1 3 314.307 2.218 20 10 DECDHM COc1ccc2ccc([O-])c(CN3CCn4ncnc4C3)c2c1 ZINC001234519227 802400245 /nfs/dbraw/zinc/40/02/45/802400245.db2.gz SMSFOHFOZJMQNM-UHFFFAOYSA-N -1 3 310.357 2.161 20 10 DECDHM CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001594989246 982838960 /nfs/dbraw/zinc/83/89/60/982838960.db2.gz IGBYDUDSIMWOJW-WDEREUQCSA-N -1 3 308.378 2.046 20 10 DECDHM COC(=O)c1cc(NC(=O)C2=CC(=O)CS2)c([O-])c(OC)c1 ZINC001603058935 1069844662 /nfs/dbraw/zinc/84/46/62/1069844662.db2.gz KMPHCKGMHAOKNF-UHFFFAOYSA-N -1 3 323.326 2.207 20 10 DECDHM CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C1 ZINC001603356572 1069954413 /nfs/dbraw/zinc/95/44/13/1069954413.db2.gz DRHKPSDRAZWKIO-SDDRHHMPSA-N -1 3 317.393 2.179 20 10 DECDHM CN(Cc1ccc(C(N)=O)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001621317621 1069955037 /nfs/dbraw/zinc/95/50/37/1069955037.db2.gz HCZMCEFCZOFFNA-UHFFFAOYSA-N -1 3 306.312 2.401 20 10 DECDHM C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603851266 1070121587 /nfs/dbraw/zinc/12/15/87/1070121587.db2.gz WGHCEJLFKNVYGA-IJLUTSLNSA-N -1 3 317.393 2.038 20 10 DECDHM COc1ccc(O)c([C@H](C)NCc2ccc(C(=O)[O-])cn2)c1 ZINC001607277075 1071393268 /nfs/dbraw/zinc/39/32/68/1071393268.db2.gz PEGAOUQVUBMKMJ-JTQLQIEISA-N -1 3 302.330 2.345 20 10 DECDHM COc1cc(C(=O)NCc2c([O-])cccc2F)cc(OC)c1O ZINC001456027781 1057807779 /nfs/dbraw/zinc/80/77/79/1057807779.db2.gz GEHQDQWXAQSKMP-UHFFFAOYSA-N -1 3 321.304 2.184 20 10 DECDHM CN(CC(=O)NCc1c([O-])cccc1F)Cc1ccccc1 ZINC001471974414 1060354505 /nfs/dbraw/zinc/35/45/05/1060354505.db2.gz CJHOAJWCFVZTHF-UHFFFAOYSA-N -1 3 302.349 2.280 20 10 DECDHM COc1ccc(CNC(=O)Cc2ccc([O-])c(F)c2)c(O)c1 ZINC001617752902 1078147858 /nfs/dbraw/zinc/14/78/58/1078147858.db2.gz LRCIHRUZPZLSSU-UHFFFAOYSA-N -1 3 305.305 2.104 20 10 DECDHM CO[C@H](CNC(=O)c1cccc(O)c1[O-])Cc1ccccc1 ZINC001627983168 1078286601 /nfs/dbraw/zinc/28/66/01/1078286601.db2.gz WQKHEJYXFCNBPQ-ZDUSSCGKSA-N -1 3 301.342 2.085 20 10 DECDHM Nc1c(C(=O)NCc2c([O-])cccc2F)cc(F)cc1[N+](=O)[O-] ZINC001638863683 1078584262 /nfs/dbraw/zinc/58/42/62/1078584262.db2.gz PXPFNMUERXGCDD-UHFFFAOYSA-N -1 3 323.255 2.091 20 10 DECDHM CN1C(=O)COc2cccc(NCc3cccc(F)c3[O-])c21 ZINC001560981898 1075149205 /nfs/dbraw/zinc/14/92/05/1075149205.db2.gz NOHGKSYCUXQEJR-UHFFFAOYSA-N -1 3 302.305 2.499 20 10 DECDHM Cc1ccc(C(N)=O)cc1NC(=O)NCc1c([O-])cccc1F ZINC001562283825 1075159457 /nfs/dbraw/zinc/15/94/57/1075159457.db2.gz MDDBKHMIZCNDFH-UHFFFAOYSA-N -1 3 317.320 2.260 20 10 DECDHM Cc1ncccc1C=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001581557285 1076079653 /nfs/dbraw/zinc/07/96/53/1076079653.db2.gz IWSACEUSQWXZJU-CMDGGOBGSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ncccc1C=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001581557285 1076079659 /nfs/dbraw/zinc/07/96/59/1076079659.db2.gz IWSACEUSQWXZJU-CMDGGOBGSA-N -1 3 320.356 2.246 20 10 DECDHM C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961168 1076537713 /nfs/dbraw/zinc/53/77/13/1076537713.db2.gz BQLLWDYAQBPRLD-QWRGUYRKSA-N -1 3 317.393 2.181 20 10 DECDHM CC[C@@H]([NH2+]C[C@H](C)CCOC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464869 1076632713 /nfs/dbraw/zinc/63/27/13/1076632713.db2.gz QSDGRFKTFZEDSG-BXUZGUMPSA-N -1 3 319.409 2.286 20 10 DECDHM CC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465131 1076633505 /nfs/dbraw/zinc/63/35/05/1076633505.db2.gz SPEMQAWVEZLJSQ-XJKSGUPXSA-N -1 3 317.393 2.182 20 10 DECDHM Cc1cccc(CC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])n1 ZINC001592229687 1076877979 /nfs/dbraw/zinc/87/79/79/1076877979.db2.gz PVDARFCFUKCEHG-GFCCVEGCSA-N -1 3 324.388 2.169 20 10 DECDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCc1ccccc1O ZINC001593475658 1077008163 /nfs/dbraw/zinc/00/81/63/1077008163.db2.gz RJIYEGWMVAOBLO-UHFFFAOYSA-N -1 3 312.289 2.093 20 10 DECDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCc1ccccc1O ZINC001593475658 1077008166 /nfs/dbraw/zinc/00/81/66/1077008166.db2.gz RJIYEGWMVAOBLO-UHFFFAOYSA-N -1 3 312.289 2.093 20 10 DECDHM COc1ncccc1CN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610371160 1078010052 /nfs/dbraw/zinc/01/00/52/1078010052.db2.gz PACAOQBTDPGOHD-SNVBAGLBSA-N -1 3 302.330 2.345 20 10 DECDHM Cc1ccc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)c([O-])c1O ZINC001653845859 1079940035 /nfs/dbraw/zinc/94/00/35/1079940035.db2.gz DIJJQGBYBRGYSY-UHFFFAOYSA-N -1 3 310.313 2.444 20 10 DECDHM Cc1cc([O-])c(CN2CC[C@@H](O)[C@H](F)C2)cc1Br ZINC001237677877 1080472819 /nfs/dbraw/zinc/47/28/19/1080472819.db2.gz QXGZFUDMWPPIIT-VXGBXAGGSA-N -1 3 318.186 2.368 20 10 DECDHM O=C(NCc1c([O-])cccc1F)Nc1ccc2c(c1)NC(=O)C2 ZINC001674287704 1081856418 /nfs/dbraw/zinc/85/64/18/1081856418.db2.gz CRANOCXNDGLLSC-UHFFFAOYSA-N -1 3 315.304 2.348 20 10 DECDHM COc1ccnc(OC)c1NC(=O)NCc1c([O-])cccc1F ZINC001674568304 1081890284 /nfs/dbraw/zinc/89/02/84/1081890284.db2.gz LBCGOIIVIZUBCE-UHFFFAOYSA-N -1 3 321.308 2.265 20 10 DECDHM NC(=O)[C@@H]1C[C@H](F)CN1Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996666 1084263587 /nfs/dbraw/zinc/26/35/87/1084263587.db2.gz LUHXIUBWSWMTFE-HOCLYGCPSA-N -1 3 314.360 2.457 20 10 DECDHM O=C([N-]c1c2nonc2ccc1Cl)c1cnn2c1OCCC2 ZINC001128603662 1086309368 /nfs/dbraw/zinc/30/93/68/1086309368.db2.gz KPNZYTONVRQIGC-UHFFFAOYSA-N -1 3 319.708 2.108 20 10 DECDHM Cc1nnc([C@H](C)NCc2c([O-])cccc2Br)[nH]1 ZINC000706881606 1086654691 /nfs/dbraw/zinc/65/46/91/1086654691.db2.gz YIFFPQYFDGNONH-ZETCQYMHSA-N -1 3 311.183 2.432 20 10 DECDHM CCN(CC(=O)N(C)C)Cc1c([O-])cccc1Br ZINC000707153371 1086662614 /nfs/dbraw/zinc/66/26/14/1086662614.db2.gz WGVSBZMNGZBUBX-UHFFFAOYSA-N -1 3 315.211 2.065 20 10 DECDHM CN1CC[C@]2(CCCN2Cc2c([O-])ccc(F)c2Cl)C1=O ZINC001274823508 1091433145 /nfs/dbraw/zinc/43/31/45/1091433145.db2.gz VMIWRKVUOFDRRI-OAHLLOKOSA-N -1 3 312.772 2.381 20 10 DECDHM C[C@@]1(CO)CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@H]1O ZINC001237077006 1138498602 /nfs/dbraw/zinc/49/86/02/1138498602.db2.gz BMGFWMSEZDTXBI-JSGCOSHPSA-N -1 3 320.216 2.264 20 10 DECDHM O=C(NC[C@H]1CSc2ccccc2O1)c1cccc(O)c1[O-] ZINC001299899342 1140162315 /nfs/dbraw/zinc/16/23/15/1140162315.db2.gz BMOZDTDNTLBVBN-JTQLQIEISA-N -1 3 317.366 2.381 20 10 DECDHM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1ccc(Cl)s1 ZINC001256541069 1143852775 /nfs/dbraw/zinc/85/27/75/1143852775.db2.gz GAIIGZJNRPNIDX-UHFFFAOYSA-N -1 3 319.791 2.291 20 10 DECDHM C[C@@H]1C[C@@H]1c1nnc(-c2ccc([O-])c(CN3CCOCC3)c2)o1 ZINC001256774285 1143866931 /nfs/dbraw/zinc/86/69/31/1143866931.db2.gz RHWJIDOYHFMTTG-RISCZKNCSA-N -1 3 315.373 2.398 20 10 DECDHM O=C1NC[C@@H]2CN(Cc3cc(-c4ccccc4)ccc3[O-])CCN12 ZINC000091864487 355611373 /nfs/dbraw/zinc/61/13/73/355611373.db2.gz KDCQCCNSTKIFAO-QGZVFWFLSA-N -1 3 323.396 2.269 20 10 DECDHM COC(=O)[C@H]1CN(C(=O)/C=C/c2cncc([O-])c2)c2ccccc21 ZINC000182007900 356104883 /nfs/dbraw/zinc/10/48/83/356104883.db2.gz XNPNDYDIPFSZOX-LFAOLKIESA-N -1 3 324.336 2.104 20 10 DECDHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Cl)ccc1[O-] ZINC000370365386 533540973 /nfs/dbraw/zinc/54/09/73/533540973.db2.gz FOXYHWYKEXZLSB-QWHCGFSZSA-N -1 3 313.781 2.198 20 10 DECDHM C[C@]1(C(N)=O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000235742894 402364625 /nfs/dbraw/zinc/36/46/25/402364625.db2.gz ZCRLDJDPOKFAKX-ZDUSSCGKSA-N -1 3 303.189 2.396 20 10 DECDHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(O)c1[O-] ZINC000192869903 402754265 /nfs/dbraw/zinc/75/42/65/402754265.db2.gz FYRDSQNGWRDOCM-CYBMUJFWSA-N -1 3 316.357 2.258 20 10 DECDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(C2CC2)no1 ZINC000193014634 402760717 /nfs/dbraw/zinc/76/07/17/402760717.db2.gz AMTGBPLBSHCMBE-LBPRGKRZSA-N -1 3 317.345 2.485 20 10 DECDHM Cc1cc(Br)cc(CN2CCC[C@@H](O)C2)c1[O-] ZINC000271787224 402884480 /nfs/dbraw/zinc/88/44/80/402884480.db2.gz IBHIPSRIYRUGBK-GFCCVEGCSA-N -1 3 300.196 2.420 20 10 DECDHM Cc1ccc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c([O-])c1O ZINC000292296474 403347576 /nfs/dbraw/zinc/34/75/76/403347576.db2.gz ZISIHOVETOXMBA-NSHDSACASA-N -1 3 321.764 2.343 20 10 DECDHM O=C1NCCN1[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000362045172 403920173 /nfs/dbraw/zinc/92/01/73/403920173.db2.gz KMEIBFRKSXIOQR-GFCCVEGCSA-N -1 3 309.797 2.035 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nnc(C3CC3)[nH]2)c1 ZINC000296279178 404175881 /nfs/dbraw/zinc/17/58/81/404175881.db2.gz DZEMWBIACJVETF-VIFPVBQESA-N -1 3 316.361 2.025 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1[O-] ZINC000365562495 404691646 /nfs/dbraw/zinc/69/16/46/404691646.db2.gz YJJVVLVIRSAJLC-SJCJKPOMSA-N -1 3 323.364 2.114 20 10 DECDHM CCCOc1ccc(CN2CCNC(=O)[C@@H]2C(C)C)c([O-])c1 ZINC000093055283 276267487 /nfs/dbraw/zinc/26/74/87/276267487.db2.gz XWSKOBRPCNOUKX-INIZCTEOSA-N -1 3 306.406 2.137 20 10 DECDHM Cn1cnc(-c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)n1 ZINC000189564005 534799562 /nfs/dbraw/zinc/79/95/62/534799562.db2.gz ONHFARLRBRVIAK-UHFFFAOYSA-N -1 3 310.313 2.146 20 10 DECDHM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000368461735 534840917 /nfs/dbraw/zinc/84/09/17/534840917.db2.gz LAYASYMRFDELRE-AWEZNQCLSA-N -1 3 305.353 2.445 20 10 DECDHM [O-]c1ccc(F)cc1CN1CCN(Cc2ccccn2)CC1 ZINC000179893065 526348686 /nfs/dbraw/zinc/34/86/86/526348686.db2.gz VWZHCLKQJMGBNS-UHFFFAOYSA-N -1 3 301.365 2.244 20 10 DECDHM Cc1nsc(N2CCCN(Cc3cc(F)ccc3[O-])CC2)n1 ZINC000180212825 526710752 /nfs/dbraw/zinc/71/07/52/526710752.db2.gz HTULVOFGOYAKFT-UHFFFAOYSA-N -1 3 322.409 2.404 20 10 DECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2c(C)nn(C)c2C)c1 ZINC000273616648 536793611 /nfs/dbraw/zinc/79/36/11/536793611.db2.gz XNJNRMFILACFIO-JTQLQIEISA-N -1 3 317.389 2.380 20 10 DECDHM O=C([O-])NCCCOC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000834238467 605694213 /nfs/dbraw/zinc/69/42/13/605694213.db2.gz NEADPOKHXPTFIF-UHFFFAOYSA-N -1 3 308.378 2.031 20 10 DECDHM COCc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1F ZINC000193046318 625598689 /nfs/dbraw/zinc/59/86/89/625598689.db2.gz CVTHTPLZAOVHBD-UHFFFAOYSA-N -1 3 305.305 2.313 20 10 DECDHM O=[N+]([O-])c1ccc([O-])c(CNCc2cccc3c2OCCO3)c1 ZINC000725851510 625141156 /nfs/dbraw/zinc/14/11/56/625141156.db2.gz SCSSBJYFFIDVQZ-UHFFFAOYSA-N -1 3 316.313 2.361 20 10 DECDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCc2c[nH]nc21 ZINC000921526484 633612180 /nfs/dbraw/zinc/61/21/80/633612180.db2.gz SLIAUSWYULKHBA-LBPRGKRZSA-N -1 3 304.325 2.131 20 10 DECDHM CC[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@@H]1O ZINC000894096801 636113316 /nfs/dbraw/zinc/11/33/16/636113316.db2.gz ZZSSJIWXXBBMMG-UFBFGSQYSA-N -1 3 318.186 2.497 20 10 DECDHM CNC(=O)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000840975041 650397839 /nfs/dbraw/zinc/39/78/39/650397839.db2.gz SMAWTRKCDWRAEX-UHFFFAOYSA-N -1 3 315.776 2.078 20 10 DECDHM CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(F)ccc1[O-] ZINC000895862105 638228368 /nfs/dbraw/zinc/22/83/68/638228368.db2.gz BZCKASUEXDEYAT-KGLIPLIRSA-N -1 3 311.353 2.122 20 10 DECDHM CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2CCO)c1[O-] ZINC000759726836 640108846 /nfs/dbraw/zinc/10/88/46/640108846.db2.gz HTBRNTXREIKZED-ZDUSSCGKSA-N -1 3 313.394 2.034 20 10 DECDHM C[C@@H]1CN(CCO)[C@@H](C)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000841891682 650595751 /nfs/dbraw/zinc/59/57/51/650595751.db2.gz OOLYHWZQKAPSRL-WDEREUQCSA-N -1 3 316.804 2.072 20 10 DECDHM CN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCCNC1=O ZINC000775666983 642075590 /nfs/dbraw/zinc/07/55/90/642075590.db2.gz BSAMYUIGCMVPIR-GFCCVEGCSA-N -1 3 300.761 2.285 20 10 DECDHM COC(=O)CCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790651399 643878508 /nfs/dbraw/zinc/87/85/08/643878508.db2.gz LIAFGRWMADYVQZ-UHFFFAOYSA-N -1 3 315.325 2.456 20 10 DECDHM COC(=O)CC1(CNC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000790936492 643910801 /nfs/dbraw/zinc/91/08/01/643910801.db2.gz FVHHNDNNVPGCLQ-UHFFFAOYSA-N -1 3 321.373 2.341 20 10 DECDHM CNC(=O)[C@H](CC(C)C)NCc1c([O-])ccc(Cl)c1F ZINC000790981290 643916857 /nfs/dbraw/zinc/91/68/57/643916857.db2.gz VVCWBAOOCAAYRV-NSHDSACASA-N -1 3 302.777 2.435 20 10 DECDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(OCCO)CC1 ZINC000792170656 644083386 /nfs/dbraw/zinc/08/33/86/644083386.db2.gz UHBLBUAIGJNSLP-UHFFFAOYSA-N -1 3 303.761 2.158 20 10 DECDHM COC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1OC ZINC000794238692 644382292 /nfs/dbraw/zinc/38/22/92/644382292.db2.gz PIFZECRWLBQSID-UHFFFAOYSA-N -1 3 317.297 2.145 20 10 DECDHM COc1c([O-])c(CN2C[C@@H](C)OC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000843431938 650973599 /nfs/dbraw/zinc/97/35/99/650973599.db2.gz FEUJMXRVWVFVKK-LLVKDONJSA-N -1 3 322.361 2.452 20 10 DECDHM CCn1c(NC(=O)c2ccc(C)c(O)c2[O-])nc2cccnc21 ZINC000817194980 647241407 /nfs/dbraw/zinc/24/14/07/647241407.db2.gz QWDAJHQPQGYHMB-UHFFFAOYSA-N -1 3 312.329 2.423 20 10 DECDHM C[C@H](NCC(F)(F)CN)c1cc(Br)ccc1[O-] ZINC000817966821 647395604 /nfs/dbraw/zinc/39/56/04/647395604.db2.gz WCHSBURJUPQOKD-ZETCQYMHSA-N -1 3 309.154 2.399 20 10 DECDHM CN(Cc1ccccc1O)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000917313601 647988157 /nfs/dbraw/zinc/98/81/57/647988157.db2.gz XMTGFERSNKIUKB-UHFFFAOYSA-N -1 3 301.298 2.099 20 10 DECDHM Cc1cc([O-])c(CN2CCN3C(=O)OCC[C@H]3C2)cc1Cl ZINC000824947964 648676788 /nfs/dbraw/zinc/67/67/88/648676788.db2.gz ACACPPATYIVAIQ-LBPRGKRZSA-N -1 3 310.781 2.381 20 10 DECDHM O=C1CC[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)CC[C@@H]2N1 ZINC000827132100 648978210 /nfs/dbraw/zinc/97/82/10/648978210.db2.gz KJJPTLYZZISSTG-SKDRFNHKSA-N -1 3 312.772 2.285 20 10 DECDHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(O)c1[O-] ZINC000830701610 649483032 /nfs/dbraw/zinc/48/30/32/649483032.db2.gz WFMXPCIYMZWEGT-LDYMZIIASA-N -1 3 319.279 2.328 20 10 DECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1ccc(F)cc1 ZINC000185873757 649653767 /nfs/dbraw/zinc/65/37/67/649653767.db2.gz MCSZGWTYNPSMHS-YMTOWFKASA-N -1 3 305.305 2.089 20 10 DECDHM C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1CO ZINC000857061078 652043029 /nfs/dbraw/zinc/04/30/29/652043029.db2.gz JKISHQPGNKVEGE-GXSJLCMTSA-N -1 3 314.769 2.404 20 10 DECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(=O)[n-]cn1 ZINC000858663561 685576408 /nfs/dbraw/zinc/57/64/08/685576408.db2.gz XPEJFMJGUSEZST-UHFFFAOYSA-N -1 3 314.389 2.299 20 10 DECDHM 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Cc1ncccc1C=CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001592426743 1076911634 /nfs/dbraw/zinc/91/16/34/1076911634.db2.gz ORVVDCREVIULIL-KTKRTIGZSA-N -1 3 320.356 2.246 20 10 DECDHM Cc1ncccc1C=CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001592426743 1076911644 /nfs/dbraw/zinc/91/16/44/1076911644.db2.gz ORVVDCREVIULIL-KTKRTIGZSA-N -1 3 320.356 2.246 20 10 DECDHM COC(=O)c1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001596917151 1077084693 /nfs/dbraw/zinc/08/46/93/1077084693.db2.gz WOBIGWCXTWREGS-UHFFFAOYSA-N -1 3 303.289 2.248 20 10 DECDHM O=C([O-])C1(C2(O)CC[NH+](Cc3cc(F)ccc3[O-])CC2)CCC1 ZINC001601706112 1077437717 /nfs/dbraw/zinc/43/77/17/1077437717.db2.gz MMXORDFFVGAXEW-UHFFFAOYSA-N -1 3 323.364 2.113 20 10 DECDHM O=S1(=O)CC[C@H](N(Cc2ccc(Cl)cc2[O-])C2CC2)C1 ZINC001651877928 1079838482 /nfs/dbraw/zinc/83/84/82/1079838482.db2.gz PWPHGTUFSMPOJM-ZDUSSCGKSA-N -1 3 315.822 2.197 20 10 DECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)c2cccc(F)c2)c1 ZINC001656471969 1080096587 /nfs/dbraw/zinc/09/65/87/1080096587.db2.gz 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2.376 20 10 DECDHM COc1ncnc2c1CCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140466913 796526424 /nfs/dbraw/zinc/52/64/24/796526424.db2.gz MCOOGEUJWDZFSV-UHFFFAOYSA-N -1 3 305.765 2.403 20 10 DECDHM Cc1oncc1S(=O)(=O)[N-]Cc1cc2ccccc2cc1O ZINC001187411858 796532209 /nfs/dbraw/zinc/53/22/09/796532209.db2.gz PDKZOKLQLMQZCT-UHFFFAOYSA-N -1 3 318.354 2.320 20 10 DECDHM CC1(C)CN(C2CN(Cc3cc(Cl)ccc3[O-])C2)CCO1 ZINC001203663725 796547506 /nfs/dbraw/zinc/54/75/06/796547506.db2.gz FVJXXRQKKQPEAI-UHFFFAOYSA-N -1 3 310.825 2.341 20 10 DECDHM CCOC(=O)[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000932642373 799871647 /nfs/dbraw/zinc/87/16/47/799871647.db2.gz CIHDTQMQAVSMMR-LLVKDONJSA-N -1 3 309.337 2.119 20 10 DECDHM CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453009 801669517 /nfs/dbraw/zinc/66/95/17/801669517.db2.gz ZWZGEDPPTAKGQB-ZDUSSCGKSA-N -1 3 321.373 2.254 20 10 DECDHM CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453009 801669519 /nfs/dbraw/zinc/66/95/19/801669519.db2.gz ZWZGEDPPTAKGQB-ZDUSSCGKSA-N -1 3 321.373 2.254 20 10 DECDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c1 ZINC001231561357 801686230 /nfs/dbraw/zinc/68/62/30/801686230.db2.gz SRYJWPSDQATUIX-AWEZNQCLSA-N -1 3 305.374 2.075 20 10 DECDHM CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C[C@@H]21 ZINC001231564648 801686800 /nfs/dbraw/zinc/68/68/00/801686800.db2.gz VIASPLXFPKMPIU-IVMMDQJWSA-N -1 3 305.374 2.337 20 10 DECDHM CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C[C@@H]21 ZINC001231564648 801686806 /nfs/dbraw/zinc/68/68/06/801686806.db2.gz VIASPLXFPKMPIU-IVMMDQJWSA-N -1 3 305.374 2.337 20 10 DECDHM COC1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)c([O-])cc1O ZINC001232261602 801831869 /nfs/dbraw/zinc/83/18/69/801831869.db2.gz KFMWOTHWBBLCDR-FOSCPWQOSA-N -1 3 313.781 2.129 20 10 DECDHM CCNC(=O)[C@@H]1CCCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232270881 801835430 /nfs/dbraw/zinc/83/54/30/801835430.db2.gz LQQRPPCZNABTPC-LBPRGKRZSA-N -1 3 312.797 2.155 20 10 DECDHM Cn1ncc2ccc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)cc21 ZINC001215327780 801836124 /nfs/dbraw/zinc/83/61/24/801836124.db2.gz SMNWRHSKCMLTMU-UHFFFAOYSA-N -1 3 324.296 2.407 20 10 DECDHM Cc1ccnc(O[C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079423 802023563 /nfs/dbraw/zinc/02/35/63/802023563.db2.gz BKSWRHCMEZEADT-LBPRGKRZSA-N -1 3 321.327 2.422 20 10 DECDHM CN(C)C(=O)[C@@H]1CC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333823 802078891 /nfs/dbraw/zinc/07/88/91/802078891.db2.gz JDERJQCPFSMBTN-LBPRGKRZSA-N -1 3 324.371 2.361 20 10 DECDHM Cc1ccnc(O[C@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336390 802079597 /nfs/dbraw/zinc/07/95/97/802079597.db2.gz KBJPEAKOZBWVQW-NSHDSACASA-N -1 3 321.327 2.422 20 10 DECDHM CC1(C)C(=O)NCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454158 802121835 /nfs/dbraw/zinc/12/18/35/802121835.db2.gz ITDOKPHMWPIBIZ-UHFFFAOYSA-N -1 3 302.296 2.121 20 10 DECDHM O=C1c2cccc(O[C@H]3C[C@H](O)C3)c2C(=O)c2cccc([O-])c21 ZINC001218362224 802171879 /nfs/dbraw/zinc/17/18/79/802171879.db2.gz RIIXXPOWWYMSNR-MGCOHNPYSA-N -1 3 310.305 2.070 20 10 DECDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Cc1ccc(N)cc1 ZINC001219081175 802281196 /nfs/dbraw/zinc/28/11/96/802281196.db2.gz NAUXEEQGCQYFCP-UHFFFAOYSA-N -1 3 318.304 2.081 20 10 DECDHM Cc1c(C(=O)[O-])cc(CNCc2ccc(N(C)C)cc2)n1C ZINC000318801217 970475062 /nfs/dbraw/zinc/47/50/62/970475062.db2.gz VAJJNVSZIMUSCR-UHFFFAOYSA-N -1 3 301.390 2.388 20 10 DECDHM C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccns1 ZINC001603650563 1070020850 /nfs/dbraw/zinc/02/08/50/1070020850.db2.gz LBJSYMJSIRJRMX-IUCAKERBSA-N -1 3 316.390 2.441 20 10 DECDHM C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661905 1070029528 /nfs/dbraw/zinc/02/95/28/1070029528.db2.gz DDNMAHXYXQSYKT-GHMZBOCLSA-N -1 3 319.434 2.366 20 10 DECDHM CC[C@H]([NH2+]CC[C@H](C)CCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053412 1070187560 /nfs/dbraw/zinc/18/75/60/1070187560.db2.gz CBPOHHFDMOHHFA-FZMZJTMJSA-N -1 3 319.409 2.022 20 10 DECDHM CCCCOCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604187971 1070271456 /nfs/dbraw/zinc/27/14/56/1070271456.db2.gz DMMQHXFSSZDOGA-NSHDSACASA-N -1 3 305.382 2.040 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cccc2nc[nH]c(=O)c21 ZINC001456031535 1057807996 /nfs/dbraw/zinc/80/79/96/1057807996.db2.gz YBTGHXWMUOFKBW-UHFFFAOYSA-N -1 3 313.288 2.110 20 10 DECDHM O=C(Nc1ccccc1[C@H]1CCC(=O)N1)c1cccc(O)c1[O-] ZINC001630859381 1078351882 /nfs/dbraw/zinc/35/18/82/1078351882.db2.gz ZCLHTUJSKSXQEN-CYBMUJFWSA-N -1 3 312.325 2.301 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc2c(c1)CCC(=O)N2 ZINC001638864352 1078584630 /nfs/dbraw/zinc/58/46/30/1078584630.db2.gz XIEXBPAXPZWGDU-UHFFFAOYSA-N -1 3 314.316 2.346 20 10 DECDHM COc1cccc(OC)c1CC(=O)NCc1c([O-])cccc1F ZINC001645047886 1078873790 /nfs/dbraw/zinc/87/37/90/1078873790.db2.gz BSXCXUOZMGKCJS-UHFFFAOYSA-N -1 3 319.332 2.407 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1cccc(-n2ccnn2)c1 ZINC001646035222 1079084981 /nfs/dbraw/zinc/08/49/81/1079084981.db2.gz SJFGXAZLARYVIT-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM CC(=O)N(C)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC001557532801 1075068182 /nfs/dbraw/zinc/06/81/82/1075068182.db2.gz MAOGKMWGIKJPAD-UHFFFAOYSA-N -1 3 314.341 2.011 20 10 DECDHM Cc1noc([C@H](NC(=O)NCc2c([O-])cccc2F)C(C)C)n1 ZINC001565494718 1075179088 /nfs/dbraw/zinc/17/90/88/1075179088.db2.gz QZUDGXUMHFAMKK-CYBMUJFWSA-N -1 3 322.340 2.419 20 10 DECDHM Cn1cc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)nn1 ZINC001585154446 1076340549 /nfs/dbraw/zinc/34/05/49/1076340549.db2.gz DEZNNRNCSQKTDH-UHFFFAOYSA-N -1 3 310.313 2.146 20 10 DECDHM C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589953883 1076534391 /nfs/dbraw/zinc/53/43/91/1076534391.db2.gz WTLXHVOTMOKNKT-QWRGUYRKSA-N -1 3 319.409 2.020 20 10 DECDHM Cc1ccc(C(=O)Nc2cn(-c3ccccc3)nn2)c([O-])c1O ZINC001608081247 1077590005 /nfs/dbraw/zinc/59/00/05/1077590005.db2.gz XVAXSZLSEBPYNQ-UHFFFAOYSA-N -1 3 310.313 2.239 20 10 DECDHM c1cnc(NCc2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC001609619476 1077887898 /nfs/dbraw/zinc/88/78/98/1077887898.db2.gz QASNMASVMBICDG-UHFFFAOYSA-N -1 3 321.388 2.474 20 10 DECDHM c1cnc(NCc2ccc(N3CCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC001609619476 1077887902 /nfs/dbraw/zinc/88/79/02/1077887902.db2.gz QASNMASVMBICDG-UHFFFAOYSA-N -1 3 321.388 2.474 20 10 DECDHM C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780698 1077922427 /nfs/dbraw/zinc/92/24/27/1077922427.db2.gz VAEAGVPKHNEBJQ-LLVKDONJSA-N -1 3 304.390 2.368 20 10 DECDHM O=C(NCc1c([O-])cccc1F)c1ccc(-n2cnnc2)cc1 ZINC001652295947 1079865303 /nfs/dbraw/zinc/86/53/03/1079865303.db2.gz WYEDREKRABLXLK-UHFFFAOYSA-N -1 3 312.304 2.042 20 10 DECDHM COc1nccc(CNCc2cccc(Br)c2[O-])n1 ZINC001652380960 1079873361 /nfs/dbraw/zinc/87/33/61/1079873361.db2.gz ZSQWOYRKDZTYBB-UHFFFAOYSA-N -1 3 324.178 2.243 20 10 DECDHM CCCN(Cc1cc(F)c(F)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC001664152305 1080867343 /nfs/dbraw/zinc/86/73/43/1080867343.db2.gz UXQWNUSKVLDGLY-NSHDSACASA-N -1 3 319.373 2.070 20 10 DECDHM [O-]c1cccc(Br)c1CN1CCN(CCF)CC1 ZINC000707142262 1082340095 /nfs/dbraw/zinc/34/00/95/1082340095.db2.gz HXKHOGRJJQGLNV-UHFFFAOYSA-N -1 3 317.202 2.242 20 10 DECDHM CC(C)(C)NC(=O)[C@]12C[C@H]1CCN2Cc1c([O-])cccc1F ZINC001277484042 1083997301 /nfs/dbraw/zinc/99/73/01/1083997301.db2.gz HUFMKZSZJYKYFO-DIFFPNOSSA-N -1 3 306.381 2.410 20 10 DECDHM O=C(N1CCCCO1)[C@@]12C[C@@H]1CCN2Cc1c([O-])cccc1F ZINC001277492853 1084000578 /nfs/dbraw/zinc/00/05/78/1084000578.db2.gz FFRMBZVTWFEDEJ-YVEFUNNKSA-N -1 3 320.364 2.050 20 10 DECDHM C[C@@]1(CO)CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H]1O ZINC001236792093 1138429856 /nfs/dbraw/zinc/42/98/56/1138429856.db2.gz BMUHZYQPYOWYHW-KBPBESRZSA-N -1 3 320.216 2.264 20 10 DECDHM COC[C@@H]1CCN1Cc1c([O-])cc(OC)cc1Br ZINC001237063883 1138493910 /nfs/dbraw/zinc/49/39/10/1138493910.db2.gz AKIVFBWEVKSRJA-VIFPVBQESA-N -1 3 316.195 2.384 20 10 DECDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCc2nncn2CC1 ZINC001237077376 1138500645 /nfs/dbraw/zinc/50/06/45/1138500645.db2.gz GOZJAJUSVJFNBS-UHFFFAOYSA-N -1 3 313.188 2.349 20 10 DECDHM Cc1cc([O-])c(CN2CCn3ncnc3C2)cc1Br ZINC001237677817 1138753653 /nfs/dbraw/zinc/75/36/53/1138753653.db2.gz PDMNCBQNUPPNMS-UHFFFAOYSA-N -1 3 323.194 2.070 20 10 DECDHM CC(=O)N1CCCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237946938 1138812160 /nfs/dbraw/zinc/81/21/60/1138812160.db2.gz PNIPUIJTNKYEJF-UHFFFAOYSA-N -1 3 300.761 2.239 20 10 DECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2n[n-]nc2c1 ZINC000173207073 282296030 /nfs/dbraw/zinc/29/60/30/282296030.db2.gz QIIJNWYVTYYBFO-UHFFFAOYSA-N -1 3 323.356 2.063 20 10 DECDHM O=C(N[C@H]1CCOc2c(F)cccc21)c1cccc(O)c1[O-] ZINC000375559873 295892009 /nfs/dbraw/zinc/89/20/09/295892009.db2.gz WYGHMIVEAJKYFQ-LBPRGKRZSA-N -1 3 303.289 2.491 20 10 DECDHM CCCC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094071402 193343191 /nfs/dbraw/zinc/34/31/91/193343191.db2.gz NAQLQFDAFOHCKV-UHFFFAOYSA-N -1 3 314.407 2.072 20 10 DECDHM COc1cc(Cl)cc(CN2CCN(C(C)C)C(=O)C2)c1[O-] ZINC000273717207 130158113 /nfs/dbraw/zinc/15/81/13/130158113.db2.gz HNZOEUSRSKSWIH-UHFFFAOYSA-N -1 3 312.797 2.107 20 10 DECDHM CCCOc1ccc(CN(C)CCS(=O)(=O)CC)c([O-])c1 ZINC000093643488 402017282 /nfs/dbraw/zinc/01/72/82/402017282.db2.gz XUBNYNSEZFTLPB-UHFFFAOYSA-N -1 3 315.435 2.048 20 10 DECDHM COc1cc(Cl)cc(CN2CCC[C@H]2C(=O)N(C)C)c1[O-] ZINC000184676327 402290986 /nfs/dbraw/zinc/29/09/86/402290986.db2.gz JTEKVZIHGHJATN-LBPRGKRZSA-N -1 3 312.797 2.107 20 10 DECDHM COC(=O)CN(Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000184681108 402291393 /nfs/dbraw/zinc/29/13/93/402291393.db2.gz BXTQOHIVTFZTPR-UHFFFAOYSA-N -1 3 301.770 2.438 20 10 DECDHM CO[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H]1OC ZINC000234857445 402361669 /nfs/dbraw/zinc/36/16/69/402361669.db2.gz WAXGVRUWOFLNET-BETUJISGSA-N -1 3 316.195 2.000 20 10 DECDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](Cc2ccccc2)C1 ZINC000193153510 402767203 /nfs/dbraw/zinc/76/72/03/402767203.db2.gz AHLWHXBIEMPTGC-AWEZNQCLSA-N -1 3 313.353 2.182 20 10 DECDHM CN(CCCN(C)C(=O)c1cccc(O)c1[O-])Cc1ccco1 ZINC000286839493 403547556 /nfs/dbraw/zinc/54/75/56/403547556.db2.gz YCGNCIBJVNFVGZ-UHFFFAOYSA-N -1 3 318.373 2.285 20 10 DECDHM Cc1ccc(C(=O)N(C)C[C@@H](O)Cc2ccccc2)c([O-])c1O ZINC000294206607 403672215 /nfs/dbraw/zinc/67/22/15/403672215.db2.gz XSNRNXTZBNDEAZ-AWEZNQCLSA-N -1 3 315.369 2.082 20 10 DECDHM CN(C)C(=O)[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000294823968 403735910 /nfs/dbraw/zinc/73/59/10/403735910.db2.gz GMPUFZSIPWVEAM-LBPRGKRZSA-N -1 3 300.761 2.237 20 10 DECDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@H]1CCCCNC1=O ZINC000365267564 404593342 /nfs/dbraw/zinc/59/33/42/404593342.db2.gz XTVKDQDIKRKRGU-NSHDSACASA-N -1 3 300.761 2.285 20 10 DECDHM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000366151029 404763404 /nfs/dbraw/zinc/76/34/04/404763404.db2.gz HOLTZQALPYELBA-ZDUSSCGKSA-N -1 3 301.346 2.117 20 10 DECDHM COc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])C2CC2)cn1 ZINC000530254165 405777564 /nfs/dbraw/zinc/77/75/64/405777564.db2.gz XIJOBXGLFOLGES-HNNXBMFYSA-N -1 3 314.341 2.383 20 10 DECDHM COc1ccc(N(C)C(=O)/C=C/c2cncc([O-])c2)c(OC)c1 ZINC000182152593 333149793 /nfs/dbraw/zinc/14/97/93/333149793.db2.gz XUYXZNAFENHCFR-QPJJXVBHSA-N -1 3 314.341 2.481 20 10 DECDHM CCCOc1ccc(CN2CCCN(CC)C(=O)C2)c([O-])c1 ZINC000191540769 520349550 /nfs/dbraw/zinc/34/95/50/520349550.db2.gz OGFPVAOQSUAESR-UHFFFAOYSA-N -1 3 306.406 2.235 20 10 DECDHM Cc1ccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)c([O-])c1O ZINC000364185628 526124420 /nfs/dbraw/zinc/12/44/20/526124420.db2.gz GZHDOXMPWWXFKB-CYBMUJFWSA-N -1 3 314.341 2.095 20 10 DECDHM Cc1noc([C@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])C2)n1 ZINC000177675072 526668676 /nfs/dbraw/zinc/66/86/76/526668676.db2.gz BZQUFGLMOSMNFX-NSHDSACASA-N -1 3 317.345 2.117 20 10 DECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](n3cncn3)C2)c1[O-] ZINC000368888796 527207093 /nfs/dbraw/zinc/20/70/93/527207093.db2.gz NFYDHNGISVJNQC-CYBMUJFWSA-N -1 3 320.780 2.287 20 10 DECDHM c1csc(SCCCNc2ncccc2-c2nnn[n-]2)n1 ZINC000738445032 598914698 /nfs/dbraw/zinc/91/46/98/598914698.db2.gz CFMQUGGLXLIOCP-UHFFFAOYSA-N -1 3 319.419 2.313 20 10 DECDHM c1csc(SCCCNc2ncccc2-c2nn[n-]n2)n1 ZINC000738445032 598914699 /nfs/dbraw/zinc/91/46/99/598914699.db2.gz CFMQUGGLXLIOCP-UHFFFAOYSA-N -1 3 319.419 2.313 20 10 DECDHM CCN1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000307816223 600177266 /nfs/dbraw/zinc/17/72/66/600177266.db2.gz LDFFUFHXRXKTQH-ALCCZGGFSA-N -1 3 319.361 2.225 20 10 DECDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1ccccc1O ZINC000826243819 607706171 /nfs/dbraw/zinc/70/61/71/607706171.db2.gz WRHZZRXEROZVBV-UHFFFAOYSA-N -1 3 323.356 2.153 20 10 DECDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1ccccc1O ZINC000826243819 607706172 /nfs/dbraw/zinc/70/61/72/607706172.db2.gz WRHZZRXEROZVBV-UHFFFAOYSA-N -1 3 323.356 2.153 20 10 DECDHM O=C(NCc1nc2c(s1)CCC2)NCc1c([O-])cccc1F ZINC000924603216 625556191 /nfs/dbraw/zinc/55/61/91/625556191.db2.gz IOULJCWWNSWQKJ-UHFFFAOYSA-N -1 3 321.377 2.476 20 10 DECDHM CN(C)c1ccc(CNC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000255356333 624187996 /nfs/dbraw/zinc/18/79/96/624187996.db2.gz QXHWSUKJJPLCGI-ATVHPVEESA-N -1 3 321.380 2.153 20 10 DECDHM CO[C@H](CCNC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000922138585 635888203 /nfs/dbraw/zinc/88/82/03/635888203.db2.gz ZRYKFTGIVBJMQM-LLVKDONJSA-N -1 3 324.274 2.298 20 10 DECDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](CO)C1 ZINC000893987342 636085061 /nfs/dbraw/zinc/08/50/61/636085061.db2.gz UNULMTQNUXKRIG-QMMMGPOBSA-N -1 3 304.159 2.108 20 10 DECDHM COc1ccc(N2CC[C@H](CNc3cc(=O)[n-]cn3)C2)cc1 ZINC000894267821 636620968 /nfs/dbraw/zinc/62/09/68/636620968.db2.gz DNQCWASHYCPJME-GFCCVEGCSA-N -1 3 300.362 2.129 20 10 DECDHM Cc1cc([O-])c(CN2CC[C@@H](C)S(=O)(=O)CC2)c(Cl)c1 ZINC000840941578 650391426 /nfs/dbraw/zinc/39/14/26/650391426.db2.gz DCYSPSYYSKFWKR-LLVKDONJSA-N -1 3 317.838 2.363 20 10 DECDHM O=C(NC1CC1)c1ccc(NCc2c([O-])cccc2F)nc1 ZINC000895832903 638224613 /nfs/dbraw/zinc/22/46/13/638224613.db2.gz QBCHUEHBSONHEB-UHFFFAOYSA-N -1 3 301.321 2.431 20 10 DECDHM COC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928704878 639484061 /nfs/dbraw/zinc/48/40/61/639484061.db2.gz FYZZSGNDMVZFGE-GHMZBOCLSA-N -1 3 309.337 2.127 20 10 DECDHM Cc1cc(=O)c(C(=O)NCc2c([O-])cccc2F)cn1C1CC1 ZINC000928707122 639485970 /nfs/dbraw/zinc/48/59/70/639485970.db2.gz AJRSGSHGFJGQPE-UHFFFAOYSA-N -1 3 316.332 2.266 20 10 DECDHM C[C@@H](NCC(=O)NC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756706291 639688611 /nfs/dbraw/zinc/68/86/11/639688611.db2.gz OJKXIOBIIWXYRC-SNVBAGLBSA-N -1 3 307.350 2.010 20 10 DECDHM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cccc(O)c1[O-] ZINC000773127007 641733169 /nfs/dbraw/zinc/73/31/69/641733169.db2.gz XMNXGFQWTXBOKD-UHFFFAOYSA-N -1 3 303.362 2.391 20 10 DECDHM CC(=O)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775665491 642075507 /nfs/dbraw/zinc/07/55/07/642075507.db2.gz DBXFKNHQKXZMTK-UHFFFAOYSA-N -1 3 300.761 2.285 20 10 DECDHM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)CN1C ZINC000775983683 642119278 /nfs/dbraw/zinc/11/92/78/642119278.db2.gz CSOFOUWHFUZOLI-NXEZZACHSA-N -1 3 313.785 2.478 20 10 DECDHM CO[C@H](CS(=O)(=O)Nc1ccc([O-])c(Cl)c1)C1CC1 ZINC000842590262 650772661 /nfs/dbraw/zinc/77/26/61/650772661.db2.gz WSEKUMSAMHJTOV-GFCCVEGCSA-N -1 3 305.783 2.212 20 10 DECDHM Cc1ccc(C(=O)Nc2cccc(Cn3cncn3)c2)c([O-])c1O ZINC000780903502 642687097 /nfs/dbraw/zinc/68/70/97/642687097.db2.gz SGFQEJRRIVRFAE-UHFFFAOYSA-N -1 3 324.340 2.298 20 10 DECDHM Cn1c(=O)ccc2ccc(NC(=O)c3cccc(O)c3[O-])cc21 ZINC000787623443 643517338 /nfs/dbraw/zinc/51/73/38/643517338.db2.gz POCNKPSUDREHCK-UHFFFAOYSA-N -1 3 310.309 2.202 20 10 DECDHM O=C(NCc1ccn(-c2ccccc2)n1)c1cccc(O)c1[O-] ZINC000790559826 643866801 /nfs/dbraw/zinc/86/68/01/643866801.db2.gz YZZWRXXXVLBBGT-UHFFFAOYSA-N -1 3 309.325 2.214 20 10 DECDHM COc1ccc(OCCCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790577618 643869051 /nfs/dbraw/zinc/86/90/51/643869051.db2.gz SBYBCOFAFBDEIL-UHFFFAOYSA-N -1 3 317.341 2.305 20 10 DECDHM O=C(NCCc1ccn(-c2ccccc2)n1)c1cccc(O)c1[O-] ZINC000790615784 643872593 /nfs/dbraw/zinc/87/25/93/643872593.db2.gz UOLATURVQNOYOF-UHFFFAOYSA-N -1 3 323.352 2.256 20 10 DECDHM O=C(Nc1nnc(CC(F)(F)F)s1)c1cccc(O)c1[O-] ZINC000790893244 643906760 /nfs/dbraw/zinc/90/67/60/643906760.db2.gz FFQQUMPOWPBEFV-UHFFFAOYSA-N -1 3 319.264 2.306 20 10 DECDHM CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000800534121 645285051 /nfs/dbraw/zinc/28/50/51/645285051.db2.gz KPSAFVDKXCAJBL-CYBMUJFWSA-N -1 3 317.838 2.445 20 10 DECDHM CCCN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000156961807 646478693 /nfs/dbraw/zinc/47/86/93/646478693.db2.gz GGBHMOCOTHFHDA-UHFFFAOYSA-N -1 3 313.785 2.481 20 10 DECDHM NC(=O)C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000815153029 646980808 /nfs/dbraw/zinc/98/08/08/646980808.db2.gz AMKMDSQKHDMYOM-CQSZACIVSA-N -1 3 315.329 2.007 20 10 DECDHM Cc1nc(CCNC(=O)NCc2c([O-])cccc2F)cs1 ZINC000913994315 647124308 /nfs/dbraw/zinc/12/43/08/647124308.db2.gz CJJRQGFKDMBOLE-UHFFFAOYSA-N -1 3 309.366 2.338 20 10 DECDHM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819163848 647598058 /nfs/dbraw/zinc/59/80/58/647598058.db2.gz NRHFBAXRQAHKAK-MRXNPFEDSA-N -1 3 316.405 2.182 20 10 DECDHM CCn1nc(C)c(CNC(=O)NCc2c([O-])cccc2F)c1C ZINC000916447961 647869847 /nfs/dbraw/zinc/86/98/47/647869847.db2.gz USQGPZWKOHKYGI-UHFFFAOYSA-N -1 3 320.368 2.364 20 10 DECDHM CCCN(Cc1cc(Cl)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179641057 648402639 /nfs/dbraw/zinc/40/26/39/648402639.db2.gz UPHHEPFRZZHIKL-CYBMUJFWSA-N -1 3 317.838 2.445 20 10 DECDHM COC(=O)C[C@H]1COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000825940140 648829506 /nfs/dbraw/zinc/82/95/06/648829506.db2.gz NLEGTXFINJSEBR-LBPRGKRZSA-N -1 3 313.781 2.118 20 10 DECDHM Cc1nn(CC(F)F)cc1C(=O)NCc1c([O-])cccc1F ZINC000830179594 649405658 /nfs/dbraw/zinc/40/56/58/649405658.db2.gz AZWYOQVXHSLYRA-UHFFFAOYSA-N -1 3 313.279 2.231 20 10 DECDHM O=C(N[C@H](CCCO)c1ccccc1)c1cccc(O)c1[O-] ZINC000185863074 649646542 /nfs/dbraw/zinc/64/65/42/649646542.db2.gz CJZABRBUDXKARK-CQSZACIVSA-N -1 3 301.342 2.341 20 10 DECDHM CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000846621643 651341736 /nfs/dbraw/zinc/34/17/36/651341736.db2.gz QXGSETLNCUODLW-LLVKDONJSA-N -1 3 309.362 2.290 20 10 DECDHM CC(C)(C)OC(=O)NCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000846655949 651343414 /nfs/dbraw/zinc/34/34/14/651343414.db2.gz SBRZFKGTWMDZSW-UHFFFAOYSA-N -1 3 324.377 2.131 20 10 DECDHM COc1c([O-])c(CN2CC3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000848922100 651562045 /nfs/dbraw/zinc/56/20/45/651562045.db2.gz MMBXLYHBZUDHIH-UHFFFAOYSA-N -1 3 300.261 2.150 20 10 DECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](CC(F)(F)F)O1 ZINC000856362241 651908107 /nfs/dbraw/zinc/90/81/07/651908107.db2.gz HLYNRSAPMINIGB-DTWKUNHWSA-N -1 3 319.279 2.280 20 10 DECDHM COC(=O)C12CCC(C(=O)NCc3c([O-])cccc3F)(CC1)C2 ZINC000928707237 693830645 /nfs/dbraw/zinc/83/06/45/693830645.db2.gz CNJXTEZHUMLYRZ-UHFFFAOYSA-N -1 3 321.348 2.271 20 10 DECDHM C[C@@]1(Br)C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928711019 693831724 /nfs/dbraw/zinc/83/17/24/693831724.db2.gz ZEVAMGQBKDZPTK-QPUJVOFHSA-N -1 3 302.143 2.321 20 10 DECDHM C[C@H](CC(=O)NCc1c([O-])cccc1F)NC(=O)C1CCCC1 ZINC000928710388 693831992 /nfs/dbraw/zinc/83/19/92/693831992.db2.gz CRVCDBGNYZFUJT-LLVKDONJSA-N -1 3 322.380 2.233 20 10 DECDHM CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)c1cccc(O)c1[O-] ZINC000862071250 686229427 /nfs/dbraw/zinc/22/94/27/686229427.db2.gz QUIUZKIKVBKILS-UHFFFAOYSA-N -1 3 319.317 2.029 20 10 DECDHM Cc1nnc2n1CCN(Cc1c([O-])cccc1Br)C2 ZINC000862239724 686262780 /nfs/dbraw/zinc/26/27/80/686262780.db2.gz GMQRCRDYWSTHSS-UHFFFAOYSA-N -1 3 323.194 2.070 20 10 DECDHM COC(=O)[C@H](CNC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000862955342 686411876 /nfs/dbraw/zinc/41/18/76/686411876.db2.gz QDUOGFPPLIGURT-CYBMUJFWSA-N -1 3 321.373 2.197 20 10 DECDHM C[C@H](NCc1ccc(F)c(F)c1[O-])C(=O)NCc1ccco1 ZINC000877150319 690030412 /nfs/dbraw/zinc/03/04/12/690030412.db2.gz OPOQSSFUKMMTLQ-VIFPVBQESA-N -1 3 310.300 2.058 20 10 DECDHM