smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CCc1ccco1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055128915 540630873 /nfs/dbraw/zinc/63/08/73/540630873.db2.gz CSIFILPMZCVZNF-LLVKDONJSA-N -1 3 352.412 2.108 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CCN([C@@H]3CCOC3)CC2)c1 ZINC000827120488 675731262 /nfs/dbraw/zinc/73/12/62/675731262.db2.gz TYNYQQZESUWPCJ-CQSZACIVSA-N -1 3 355.276 2.370 20 10 FECDHM COC(=O)CN(Cc1noc(C2CC2)n1)Cc1cc(Cl)ccc1[O-] ZINC000111238378 543388268 /nfs/dbraw/zinc/38/82/68/543388268.db2.gz QVEMLENZZCVUTG-UHFFFAOYSA-N -1 3 351.790 2.481 20 10 FECDHM C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(C)Cc1ccccc1[O-] ZINC000111235253 543388723 /nfs/dbraw/zinc/38/87/23/543388723.db2.gz PBZQMDZZIPGZFQ-HOCLYGCPSA-N -1 3 356.422 2.169 20 10 FECDHM CCCC(=O)NCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134261075 544300505 /nfs/dbraw/zinc/30/05/05/544300505.db2.gz PRWKUOAIGBYVSN-HNNXBMFYSA-N -1 3 367.877 2.043 20 10 FECDHM CCCC(=O)NCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134261056 544300773 /nfs/dbraw/zinc/30/07/73/544300773.db2.gz PRWKUOAIGBYVSN-OAHLLOKOSA-N -1 3 367.877 2.043 20 10 FECDHM COc1ccc(CS(C)(=O)=O)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000804355202 674281977 /nfs/dbraw/zinc/28/19/77/674281977.db2.gz SJPDFTFGYMCWIY-UHFFFAOYSA-N -1 3 365.407 2.212 20 10 FECDHM CCN(CC(=O)NC[C@@H]1CCCO1)Cc1cc(Br)ccc1[O-] ZINC000174422952 546295575 /nfs/dbraw/zinc/29/55/75/546295575.db2.gz UWKJVPUQPXQFGG-AWEZNQCLSA-N -1 3 371.275 2.272 20 10 FECDHM CCN(C)C(=O)CNC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000186205783 548100082 /nfs/dbraw/zinc/10/00/82/548100082.db2.gz WEJNAZFZMFDMSQ-UHFFFAOYSA-N -1 3 372.263 2.165 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(Cc3ccccc3)CC2)c1 ZINC000186273255 548110898 /nfs/dbraw/zinc/11/08/98/548110898.db2.gz YMWZBHCLWZJRDY-UHFFFAOYSA-N -1 3 360.435 2.269 20 10 FECDHM O=C([C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)N1CCOCC1 ZINC000191206456 548341895 /nfs/dbraw/zinc/34/18/95/548341895.db2.gz BMGFPNSPPQYSOA-GFCCVEGCSA-N -1 3 356.825 2.256 20 10 FECDHM O=S(=O)(CCO)c1ccc(CNCc2cccc(Cl)c2[O-])cc1 ZINC000191836780 548350990 /nfs/dbraw/zinc/35/09/90/548350990.db2.gz KMILKUGRGLXGHI-UHFFFAOYSA-N -1 3 355.843 2.101 20 10 FECDHM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193101729 548379882 /nfs/dbraw/zinc/37/98/82/548379882.db2.gz RECFLOAVQCQCKM-LLVKDONJSA-N -1 3 374.359 2.361 20 10 FECDHM CCn1c2nc(C(C)C)cc(C(=O)Nc3ccc(N)cc3)c2c(=O)[n-]c1=O ZINC000269136510 550159117 /nfs/dbraw/zinc/15/91/17/550159117.db2.gz RAHLAZKVSUMFAY-UHFFFAOYSA-N -1 3 367.409 2.475 20 10 FECDHM COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273510200 550501046 /nfs/dbraw/zinc/50/10/46/550501046.db2.gz RMJKADCQHYNIBF-DOMZBBRYSA-N -1 3 353.419 2.128 20 10 FECDHM COc1c([O-])c(CN2CCCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000278153892 550755009 /nfs/dbraw/zinc/75/50/09/550755009.db2.gz CRQDHIGWPNBEKI-UHFFFAOYSA-N -1 3 364.427 2.478 20 10 FECDHM COCCCOC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278330551 550773743 /nfs/dbraw/zinc/77/37/43/550773743.db2.gz ZFXUHWHGFCGYOL-UHFFFAOYSA-N -1 3 354.403 2.327 20 10 FECDHM Cc1n[nH]cc1CCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000279856611 550936509 /nfs/dbraw/zinc/93/65/09/550936509.db2.gz AMRCKPSFWIHFEG-UHFFFAOYSA-N -1 3 362.817 2.474 20 10 FECDHM CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000279913326 550942400 /nfs/dbraw/zinc/94/24/00/550942400.db2.gz ILLYCGWOAUTYSB-UHFFFAOYSA-N -1 3 355.437 2.191 20 10 FECDHM COC(=O)[C@H]1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1 ZINC000280171070 550967827 /nfs/dbraw/zinc/96/78/27/550967827.db2.gz RDSREOUQJGQYPJ-GXFFZTMASA-N -1 3 366.801 2.152 20 10 FECDHM CCCOc1ccc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c([O-])c1 ZINC000289338499 552303500 /nfs/dbraw/zinc/30/35/00/552303500.db2.gz HNWRSCMBNOMHKR-INIZCTEOSA-N -1 3 356.488 2.037 20 10 FECDHM CN(C[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1)S(C)(=O)=O ZINC000294687415 552926777 /nfs/dbraw/zinc/92/67/77/552926777.db2.gz NHCYWPOSSOAOGX-NSHDSACASA-N -1 3 364.870 2.288 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cnn2c1CCC2 ZINC000294842936 552938013 /nfs/dbraw/zinc/93/80/13/552938013.db2.gz ACQSQKDJIOEFPN-UHFFFAOYSA-N -1 3 363.801 2.004 20 10 FECDHM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000294965733 552947532 /nfs/dbraw/zinc/94/75/32/552947532.db2.gz NOOULEWLSMTCPZ-BBRMVZONSA-N -1 3 367.405 2.080 20 10 FECDHM CCOC(=O)C1([S@@](C)=O)CCN([C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000296249382 553129453 /nfs/dbraw/zinc/12/94/53/553129453.db2.gz CWFKIZRYWZPQGB-OIRASMEMSA-N -1 3 357.447 2.369 20 10 FECDHM C[C@H](O)CNc1cc(NCc2cccc(Br)c2[O-])ncn1 ZINC000299025953 553505309 /nfs/dbraw/zinc/50/53/09/553505309.db2.gz SXFLDTJSDCYGGX-VIFPVBQESA-N -1 3 353.220 2.350 20 10 FECDHM CN1C(=O)CSC12CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000363863270 555201940 /nfs/dbraw/zinc/20/19/40/555201940.db2.gz AZPOPTPSWIZEOS-UHFFFAOYSA-N -1 3 371.846 2.451 20 10 FECDHM Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000364571640 555342405 /nfs/dbraw/zinc/34/24/05/555342405.db2.gz CMQCHWYUIBHGNR-WBMJQRKESA-N -1 3 352.797 2.028 20 10 FECDHM COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3cccc(O)c3[O-])C2)c1 ZINC000365314213 555539344 /nfs/dbraw/zinc/53/93/44/555539344.db2.gz LQLOULYUWSWDLP-ZDUSSCGKSA-N -1 3 372.421 2.466 20 10 FECDHM Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)n1 ZINC000366093268 555749166 /nfs/dbraw/zinc/74/91/66/555749166.db2.gz OAIHDUWCIYQCSS-UHFFFAOYSA-N -1 3 355.394 2.292 20 10 FECDHM Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000367965355 556183627 /nfs/dbraw/zinc/18/36/27/556183627.db2.gz SJLAIARUHRVQAW-AWEZNQCLSA-N -1 3 355.394 2.353 20 10 FECDHM CCCOc1ccc(CN2CCn3c(nnc3-c3cnn(C)c3)C2)c([O-])c1 ZINC000371402876 557174894 /nfs/dbraw/zinc/17/48/94/557174894.db2.gz DQKYJMDTXQTVHV-UHFFFAOYSA-N -1 3 368.441 2.189 20 10 FECDHM Cc1cc(C(=O)OC[C@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737241594 598623354 /nfs/dbraw/zinc/62/33/54/598623354.db2.gz LZNCJKYZPNKVMM-AWEZNQCLSA-N -1 3 367.409 2.468 20 10 FECDHM Cc1cc(C(=O)OCC2(C)COC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737241074 598642177 /nfs/dbraw/zinc/64/21/77/598642177.db2.gz JJDPCGZFFSHSAT-UHFFFAOYSA-N -1 3 367.409 2.468 20 10 FECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000821611084 599322619 /nfs/dbraw/zinc/32/26/19/599322619.db2.gz PZZIBVVSVKXGCC-UHFFFAOYSA-N -1 3 368.416 2.479 20 10 FECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000821611084 599322622 /nfs/dbraw/zinc/32/26/22/599322622.db2.gz PZZIBVVSVKXGCC-UHFFFAOYSA-N -1 3 368.416 2.479 20 10 FECDHM O=C([O-])c1cc2ccccc2c(CN2CCN(c3cccnn3)CC2)c1O ZINC000740098765 599705588 /nfs/dbraw/zinc/70/55/88/599705588.db2.gz UNYHZZWBOMVLHM-UHFFFAOYSA-N -1 3 364.405 2.356 20 10 FECDHM O=C([O-])NC[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000834215752 605554487 /nfs/dbraw/zinc/55/44/87/605554487.db2.gz NWASLKIXZQNUKV-OAHLLOKOSA-N -1 3 351.422 2.142 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2CCOc1cccc(-c2nnn[n-]2)c1 ZINC000821589500 606092160 /nfs/dbraw/zinc/09/21/60/606092160.db2.gz QESQAYHIVDFWNK-UHFFFAOYSA-N -1 3 366.425 2.211 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2CCOc1cccc(-c2nn[n-]n2)c1 ZINC000821589500 606092165 /nfs/dbraw/zinc/09/21/65/606092165.db2.gz QESQAYHIVDFWNK-UHFFFAOYSA-N -1 3 366.425 2.211 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821589434 606093052 /nfs/dbraw/zinc/09/30/52/606093052.db2.gz NEBSCDYCMUUGHX-UHFFFAOYSA-N -1 3 354.389 2.471 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821589434 606093055 /nfs/dbraw/zinc/09/30/55/606093055.db2.gz NEBSCDYCMUUGHX-UHFFFAOYSA-N -1 3 354.389 2.471 20 10 FECDHM COc1ccc2c(c1)CCCN2C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821849453 606919383 /nfs/dbraw/zinc/91/93/83/606919383.db2.gz JABZRUMEZBUTGX-SFHVURJKSA-N -1 3 351.410 2.362 20 10 FECDHM COc1ccc2c(c1)CCCN2C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821849453 606919385 /nfs/dbraw/zinc/91/93/85/606919385.db2.gz JABZRUMEZBUTGX-SFHVURJKSA-N -1 3 351.410 2.362 20 10 FECDHM COC(=O)CN(CC(=O)N[C@H](C)C(C)C)Cc1cc(Cl)ccc1[O-] ZINC000109779782 670844386 /nfs/dbraw/zinc/84/43/86/670844386.db2.gz KGUXKLSRMNJWKP-GFCCVEGCSA-N -1 3 356.850 2.181 20 10 FECDHM COC(=O)CN(CCCc1cnn(C)c1)Cc1cc(Cl)ccc1[O-] ZINC000111238384 670856362 /nfs/dbraw/zinc/85/63/62/670856362.db2.gz SSPKWZYYWWSCCR-UHFFFAOYSA-N -1 3 351.834 2.387 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000743632484 673766237 /nfs/dbraw/zinc/76/62/37/673766237.db2.gz HAPFNUAHSDKOAK-BBRMVZONSA-N -1 3 360.435 2.125 20 10 FECDHM CCOC(=O)C1([S@](C)=O)CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000824608658 675613255 /nfs/dbraw/zinc/61/32/55/675613255.db2.gz LNHZQTQXAUYMTG-QHCPKHFHSA-N -1 3 359.875 2.322 20 10 FECDHM Cc1nc(CN2CCN(Cc3ccc(Br)cc3[O-])CC2)no1 ZINC000824762311 675620600 /nfs/dbraw/zinc/62/06/00/675620600.db2.gz QUBDXCSMTIAQEU-UHFFFAOYSA-N -1 3 367.247 2.164 20 10 FECDHM NS(=O)(=O)c1cc2c(s1)CCN(Cc1c([O-])cccc1Cl)C2 ZINC000827775427 675777524 /nfs/dbraw/zinc/77/75/24/675777524.db2.gz FFBZMAXLDLCBLV-UHFFFAOYSA-N -1 3 358.872 2.313 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000831915602 680061144 /nfs/dbraw/zinc/06/11/44/680061144.db2.gz ODSBWYKWHZWWBL-KRWDZBQOSA-N -1 3 355.431 2.135 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C(=O)NCC(F)F)c1[O-] ZINC000832130338 680099321 /nfs/dbraw/zinc/09/93/21/680099321.db2.gz ROBNYOQVDWPZQG-AWEZNQCLSA-N -1 3 358.360 2.470 20 10 FECDHM COc1cccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1O ZINC000751309813 680167365 /nfs/dbraw/zinc/16/73/65/680167365.db2.gz QAZBMXUGWKNPND-UHFFFAOYSA-N -1 3 352.368 2.096 20 10 FECDHM CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769947123 681001536 /nfs/dbraw/zinc/00/15/36/681001536.db2.gz CIXUOSXJKJIGKN-TZMCWYRMSA-N -1 3 358.485 2.168 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CC3(F)F)CC2)c1 ZINC000846469404 681245446 /nfs/dbraw/zinc/24/54/46/681245446.db2.gz QDTQZUKDIFQWFU-UHFFFAOYSA-N -1 3 360.382 2.025 20 10 FECDHM O=C(NCC1(N2CCSCC2)CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789957456 682640702 /nfs/dbraw/zinc/64/07/02/682640702.db2.gz OTZQSVHOBWYXFS-UHFFFAOYSA-N -1 3 354.447 2.328 20 10 FECDHM C[C@H]1C[C@H](NCc2c([O-])ccc(Cl)c2F)C(=O)N1c1cnn(C)c1 ZINC000790970454 682717033 /nfs/dbraw/zinc/71/70/33/682717033.db2.gz JOKPFZSLLMPYTE-ZANVPECISA-N -1 3 352.797 2.202 20 10 FECDHM CC(C)(C)OC[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000928236896 683417390 /nfs/dbraw/zinc/41/73/90/683417390.db2.gz MSYIEIAENPSTGZ-CYBMUJFWSA-N -1 3 370.471 2.183 20 10 FECDHM CO[C@H](CS(=O)(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC000921450559 683472099 /nfs/dbraw/zinc/47/20/99/683472099.db2.gz ASKHFAJLDUOBDU-MRXNPFEDSA-N -1 3 357.378 2.478 20 10 FECDHM COc1ccc(N2CCC([N-]S(=O)(=O)c3cc(C)ns3)CC2)cc1 ZINC000866710966 684137752 /nfs/dbraw/zinc/13/77/52/684137752.db2.gz YLIXKZYAQSNYAN-UHFFFAOYSA-N -1 3 367.496 2.407 20 10 FECDHM C[C@]12CN(Cc3ccc(Br)cc3[O-])C[C@@]1(C)CS(=O)(=O)C2 ZINC000877813646 686469663 /nfs/dbraw/zinc/46/96/63/686469663.db2.gz NITGYVLYKQUSPO-GASCZTMLSA-N -1 3 374.300 2.411 20 10 FECDHM CC(C)CN1CCO[C@H](CNC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000891597047 689081644 /nfs/dbraw/zinc/08/16/44/689081644.db2.gz DWFHRYPGNWQJLR-CQSZACIVSA-N -1 3 355.866 2.202 20 10 FECDHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1CS(N)(=O)=O ZINC000897610646 690048599 /nfs/dbraw/zinc/04/85/99/690048599.db2.gz UJHJETPWFGJXTL-SCZZXKLOSA-N -1 3 353.271 2.055 20 10 FECDHM CCOc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1O ZINC000091811066 542826587 /nfs/dbraw/zinc/82/65/87/542826587.db2.gz OERNZVFMUKBYEE-UHFFFAOYSA-N -1 3 356.422 2.455 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccc(O)cc3)CC2)c1[O-] ZINC000131008808 544174062 /nfs/dbraw/zinc/17/40/62/544174062.db2.gz YBAPVDFSOQGVIU-UHFFFAOYSA-N -1 3 372.396 2.398 20 10 FECDHM C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187790349 548264041 /nfs/dbraw/zinc/26/40/41/548264041.db2.gz DNVVOXIHUPISOM-GWCFXTLKSA-N -1 3 350.369 2.250 20 10 FECDHM Cc1cc(Br)cc(CN2CCS(=O)(=O)C[C@H](C)C2)c1[O-] ZINC000192061226 548356987 /nfs/dbraw/zinc/35/69/87/548356987.db2.gz RTHPDAIUSFQTQY-SNVBAGLBSA-N -1 3 362.289 2.330 20 10 FECDHM Cc1cc(NC(=O)CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n(C)n1 ZINC000265129821 550006847 /nfs/dbraw/zinc/00/68/47/550006847.db2.gz MQKOCRVCRWXKCH-MRXNPFEDSA-N -1 3 358.442 2.054 20 10 FECDHM CS[C@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000265412332 550009634 /nfs/dbraw/zinc/00/96/34/550009634.db2.gz ZCIZKPBVGUTQBH-PWSUYJOCSA-N -1 3 358.485 2.168 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3ccccc3C2)c1 ZINC000271179035 550349020 /nfs/dbraw/zinc/34/90/20/550349020.db2.gz CBHNBMNDRNQBRD-CQSZACIVSA-N -1 3 360.435 2.051 20 10 FECDHM CC[C@@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nccs1 ZINC000271384128 550371132 /nfs/dbraw/zinc/37/11/32/550371132.db2.gz KSBNSJURXABKNK-OAHLLOKOSA-N -1 3 369.468 2.275 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000271428264 550374873 /nfs/dbraw/zinc/37/48/73/550374873.db2.gz SLEQCIFFSBPPHN-ZFWWWQNUSA-N -1 3 370.496 2.264 20 10 FECDHM CN1CCN(Cc2cccc(NC(=O)c3c(F)ccc(O)c3[O-])c2)CC1 ZINC000276590236 550579468 /nfs/dbraw/zinc/57/94/68/550579468.db2.gz MXMRNWQYDBUBKQ-UHFFFAOYSA-N -1 3 359.401 2.237 20 10 FECDHM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])N1CCSCC1 ZINC000277602692 550690487 /nfs/dbraw/zinc/69/04/87/550690487.db2.gz UJXCMHQWBNALLO-JTQLQIEISA-N -1 3 359.289 2.208 20 10 FECDHM COc1c([O-])c(CN2CCN(c3ccccc3O)CC2)ccc1[N+](=O)[O-] ZINC000278155790 550755135 /nfs/dbraw/zinc/75/51/35/550755135.db2.gz CZJPVDALDBCWKO-UHFFFAOYSA-N -1 3 359.382 2.337 20 10 FECDHM CNC(=O)c1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278223412 550762441 /nfs/dbraw/zinc/76/24/41/550762441.db2.gz LTHJMPRQDHSXKK-UHFFFAOYSA-N -1 3 359.382 2.301 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000279352698 550880714 /nfs/dbraw/zinc/88/07/14/550880714.db2.gz SBJFVPBZDWABJQ-JTQLQIEISA-N -1 3 360.439 2.333 20 10 FECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000279413478 550887347 /nfs/dbraw/zinc/88/73/47/550887347.db2.gz XLBXPXYSWMQLRC-WCQYABFASA-N -1 3 350.415 2.473 20 10 FECDHM Cc1cc(Cl)cc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1[O-] ZINC000279507597 550897833 /nfs/dbraw/zinc/89/78/33/550897833.db2.gz WXLMZBASLGFHFO-HNNXBMFYSA-N -1 3 358.891 2.354 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCC(CNS(C)(=O)=O)CC2)c1[O-] ZINC000285493610 551765266 /nfs/dbraw/zinc/76/52/66/551765266.db2.gz PNKUGTKZXUNNDO-UHFFFAOYSA-N -1 3 374.890 2.009 20 10 FECDHM CCCOc1ccc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c([O-])c1 ZINC000289338500 552303638 /nfs/dbraw/zinc/30/36/38/552303638.db2.gz HNWRSCMBNOMHKR-MRXNPFEDSA-N -1 3 356.488 2.037 20 10 FECDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]2CCC[C@H]21 ZINC000294855871 552939006 /nfs/dbraw/zinc/93/90/06/552939006.db2.gz SHXYQZYARNVCQO-KGLIPLIRSA-N -1 3 352.456 2.414 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cccnc2)c1 ZINC000362336370 554964728 /nfs/dbraw/zinc/96/47/28/554964728.db2.gz OXVACNBITIVBEO-OAHLLOKOSA-N -1 3 361.423 2.136 20 10 FECDHM COc1c([O-])c(CNCc2ccc(-n3ccnc3C)nc2)ccc1[N+](=O)[O-] ZINC000364761008 555395924 /nfs/dbraw/zinc/39/59/24/555395924.db2.gz STWFXBXKTUVFOP-UHFFFAOYSA-N -1 3 369.381 2.488 20 10 FECDHM COc1c([O-])c(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000365683304 555639773 /nfs/dbraw/zinc/63/97/73/555639773.db2.gz YCUVOBYVDWSFQL-NVGCLXPQSA-N -1 3 352.387 2.077 20 10 FECDHM CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000370168544 556799995 /nfs/dbraw/zinc/79/99/95/556799995.db2.gz FNGDEVBDJYXZKS-SFHVURJKSA-N -1 3 356.397 2.407 20 10 FECDHM COC(=O)C1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000372088767 557377141 /nfs/dbraw/zinc/37/71/41/557377141.db2.gz PHLFOULYDQGDMT-CQSZACIVSA-N -1 3 366.845 2.079 20 10 FECDHM COc1cc(Br)cc(CN2CCC[C@]3(CNC(=O)O3)C2)c1[O-] ZINC000372734331 557549643 /nfs/dbraw/zinc/54/96/43/557549643.db2.gz BKBUWYIAFAWRLD-HNNXBMFYSA-N -1 3 371.231 2.238 20 10 FECDHM COc1c([O-])c(CNc2ccc(C)c(-n3cnnn3)c2)ccc1[N+](=O)[O-] ZINC000373204486 557649381 /nfs/dbraw/zinc/64/93/81/557649381.db2.gz OCOZMACLBPEWTG-UHFFFAOYSA-N -1 3 356.342 2.205 20 10 FECDHM COc1c([O-])c(CN2CCC[C@@H](N3CCCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000373910489 557785309 /nfs/dbraw/zinc/78/53/09/557785309.db2.gz ZQWQVKDPGMCCPA-CQSZACIVSA-N -1 3 363.414 2.286 20 10 FECDHM COc1c([O-])c(CN2CCC(CN3CCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000375712108 558071352 /nfs/dbraw/zinc/07/13/52/558071352.db2.gz QNNBMIDFTARRAH-UHFFFAOYSA-N -1 3 363.414 2.143 20 10 FECDHM Cc1cc(Br)cc(CN2CCN3C(=O)N(C)C[C@@H]3C2)c1[O-] ZINC000376055991 558120564 /nfs/dbraw/zinc/12/05/64/558120564.db2.gz UFZJXZUNGOECPT-CYBMUJFWSA-N -1 3 354.248 2.015 20 10 FECDHM CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cc(Cl)ccc2[O-])cn1 ZINC000377840669 558432745 /nfs/dbraw/zinc/43/27/45/558432745.db2.gz UNXZSXGIUXDXSX-HNNXBMFYSA-N -1 3 369.874 2.234 20 10 FECDHM Cc1nnc([C@H](NC(=O)c2ccc(C)c(O)c2[O-])c2ccccc2)n1C ZINC000378562802 558584224 /nfs/dbraw/zinc/58/42/24/558584224.db2.gz WZAIJDHISGHFHB-OAHLLOKOSA-N -1 3 352.394 2.363 20 10 FECDHM Cc1c2ccccc2n(C)c1CNC(=O)CNC(=O)c1cccc([O-])c1 ZINC000473275834 561046150 /nfs/dbraw/zinc/04/61/50/561046150.db2.gz KDOKWKBOCIFZRA-UHFFFAOYSA-N -1 3 351.406 2.239 20 10 FECDHM CN(C)c1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000736773747 598378395 /nfs/dbraw/zinc/37/83/95/598378395.db2.gz OBHOIIIABVMLAE-WJDWOHSUSA-N -1 3 360.377 2.277 20 10 FECDHM CN(C)c1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000736773747 598378397 /nfs/dbraw/zinc/37/83/97/598378397.db2.gz OBHOIIIABVMLAE-WJDWOHSUSA-N -1 3 360.377 2.277 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826268602 607692822 /nfs/dbraw/zinc/69/28/22/607692822.db2.gz FFYKXSVXNLQUGU-UHFFFAOYSA-N -1 3 350.426 2.480 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826268602 607692823 /nfs/dbraw/zinc/69/28/23/607692823.db2.gz FFYKXSVXNLQUGU-UHFFFAOYSA-N -1 3 350.426 2.480 20 10 FECDHM COc1ccc(N(C)CC(=O)Nc2sccc2-c2nnn[n-]2)c(OC)c1 ZINC000826209046 607753907 /nfs/dbraw/zinc/75/39/07/607753907.db2.gz KLXKPSRKQIQCSO-UHFFFAOYSA-N -1 3 374.426 2.020 20 10 FECDHM COc1ccc(N(C)CC(=O)Nc2sccc2-c2nn[n-]n2)c(OC)c1 ZINC000826209046 607753908 /nfs/dbraw/zinc/75/39/08/607753908.db2.gz KLXKPSRKQIQCSO-UHFFFAOYSA-N -1 3 374.426 2.020 20 10 FECDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1Cc1ccon1 ZINC000823505206 606976084 /nfs/dbraw/zinc/97/60/84/606976084.db2.gz ZDZFKIHCVQPIPL-GHXNOFRVSA-N -1 3 370.419 2.256 20 10 FECDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)SC(=S)N1Cc1ccon1 ZINC000823505206 606976086 /nfs/dbraw/zinc/97/60/86/606976086.db2.gz ZDZFKIHCVQPIPL-GHXNOFRVSA-N -1 3 370.419 2.256 20 10 FECDHM CCN(CCCO)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825419471 607943959 /nfs/dbraw/zinc/94/39/59/607943959.db2.gz QEWXKDKLQPXBAN-UHFFFAOYSA-N -1 3 368.441 2.119 20 10 FECDHM COc1ccc(N2CCCN(c3nccc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826209947 609539085 /nfs/dbraw/zinc/53/90/85/609539085.db2.gz XLGQINSLTHRZDZ-UHFFFAOYSA-N -1 3 365.441 2.295 20 10 FECDHM COc1ccc(N2CCCN(c3nccc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826209947 609539086 /nfs/dbraw/zinc/53/90/86/609539086.db2.gz XLGQINSLTHRZDZ-UHFFFAOYSA-N -1 3 365.441 2.295 20 10 FECDHM CN(CCc1ccc(F)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055372839 670350636 /nfs/dbraw/zinc/35/06/36/670350636.db2.gz DTUSWUBIPJECFH-UHFFFAOYSA-N -1 3 366.414 2.218 20 10 FECDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000058507694 670378656 /nfs/dbraw/zinc/37/86/56/670378656.db2.gz ZUMIVQNKCGIEPK-UHFFFAOYSA-N -1 3 353.375 2.278 20 10 FECDHM COC(=O)CN(Cc1cccc(C(N)=O)c1)Cc1cc(Cl)ccc1[O-] ZINC000109779759 670844076 /nfs/dbraw/zinc/84/40/76/670844076.db2.gz BVMYWWOECIKHMV-UHFFFAOYSA-N -1 3 362.813 2.320 20 10 FECDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC(OC(C)(C)C)C1 ZINC000817668658 675159709 /nfs/dbraw/zinc/15/97/09/675159709.db2.gz UGTMOVSXSSEQKI-UHFFFAOYSA-N -1 3 370.471 2.182 20 10 FECDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000156218284 672243515 /nfs/dbraw/zinc/24/35/15/672243515.db2.gz RITQBSNTHPGYRP-UHFFFAOYSA-N -1 3 360.395 2.011 20 10 FECDHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)oc1C ZINC000175829692 672370919 /nfs/dbraw/zinc/37/09/19/672370919.db2.gz FSFZDCUSWMEICU-UHFFFAOYSA-N -1 3 370.402 2.058 20 10 FECDHM O=C1OCCN1C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000824451252 675603742 /nfs/dbraw/zinc/60/37/42/675603742.db2.gz QEHGIWKBTPPBEA-SNVBAGLBSA-N -1 3 355.778 2.228 20 10 FECDHM Cc1cc([O-])c(CN2CCN(CC(=O)N3CCCCC3)CC2)cc1Cl ZINC000824542214 675609570 /nfs/dbraw/zinc/60/95/70/675609570.db2.gz QPTRTXVHUUTDAN-UHFFFAOYSA-N -1 3 365.905 2.484 20 10 FECDHM CCN(Cc1ccc(Br)cc1[O-])[C@H](C)CS(C)(=O)=O ZINC000824808538 675622866 /nfs/dbraw/zinc/62/28/66/675622866.db2.gz KWKZQJIATMWXHV-SNVBAGLBSA-N -1 3 350.278 2.410 20 10 FECDHM NS(=O)(=O)c1cc2c(s1)CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000827769457 675777273 /nfs/dbraw/zinc/77/72/73/675777273.db2.gz MPAHOTOXARQRJK-UHFFFAOYSA-N -1 3 358.872 2.313 20 10 FECDHM Cc1cc([O-])c(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c(Cl)c1 ZINC000840910447 680852256 /nfs/dbraw/zinc/85/22/56/680852256.db2.gz MSBFCAGMTROQIW-UHFFFAOYSA-N -1 3 360.845 2.170 20 10 FECDHM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000751318296 680167730 /nfs/dbraw/zinc/16/77/30/680167730.db2.gz MHGNPQUXMOJLTQ-SNVBAGLBSA-N -1 3 352.368 2.349 20 10 FECDHM CCOC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCCOC1 ZINC000754265202 680346731 /nfs/dbraw/zinc/34/67/31/680346731.db2.gz WPOYRDPYVIXXOE-MLGOLLRUSA-N -1 3 353.390 2.182 20 10 FECDHM Cc1cc(F)ccc1CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000754417743 680355049 /nfs/dbraw/zinc/35/50/49/680355049.db2.gz DJSNDNZFUMMILC-UHFFFAOYSA-N -1 3 366.414 2.483 20 10 FECDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1[O-] ZINC000756776432 680497144 /nfs/dbraw/zinc/49/71/44/680497144.db2.gz PGLYEMKTAWRQEY-AMIZOPFISA-N -1 3 358.211 2.412 20 10 FECDHM [O-]c1c(Br)cccc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000768192039 680940047 /nfs/dbraw/zinc/94/00/47/680940047.db2.gz MTOGTOUZTPGYJZ-CQSZACIVSA-N -1 3 355.276 2.451 20 10 FECDHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000773007789 681121427 /nfs/dbraw/zinc/12/14/27/681121427.db2.gz KGZPRIWRELHVAN-NSHDSACASA-N -1 3 365.455 2.053 20 10 FECDHM Cc1ccc(C(=O)Nc2cc(Br)cn(C)c2=O)c([O-])c1O ZINC000780965838 681890693 /nfs/dbraw/zinc/89/06/93/681890693.db2.gz SMZMJSRJZLQHEF-UHFFFAOYSA-N -1 3 353.172 2.120 20 10 FECDHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000917904619 685535579 /nfs/dbraw/zinc/53/55/79/685535579.db2.gz ZNEJCHOIWDLONA-NSHDSACASA-N -1 3 353.394 2.340 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000790879502 682709320 /nfs/dbraw/zinc/70/93/20/682709320.db2.gz WMEWVAWZAFXNKD-UHFFFAOYSA-N -1 3 360.797 2.236 20 10 FECDHM C[C@@H](N[C@@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1[O-] ZINC000858434411 682967786 /nfs/dbraw/zinc/96/77/86/682967786.db2.gz GKDWCTWRNGGTQE-PELKAZGASA-N -1 3 358.211 2.412 20 10 FECDHM COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1F)c1ccccc1 ZINC000795347707 683042953 /nfs/dbraw/zinc/04/29/53/683042953.db2.gz JABAKVWSGWLPSS-ZDUSSCGKSA-N -1 3 353.371 2.230 20 10 FECDHM Cc1cc(C)n(C[C@H](NCc2cc(F)c(N(C)C)cc2F)C(=O)[O-])n1 ZINC000864509277 683863116 /nfs/dbraw/zinc/86/31/16/683863116.db2.gz KCAHBEMTLOKJAG-HNNXBMFYSA-N -1 3 352.385 2.087 20 10 FECDHM O=S1(=O)C[C@@H]2CCN(Cc3c([O-])cccc3Br)C[C@H]2C1 ZINC000877788722 686459952 /nfs/dbraw/zinc/45/99/52/686459952.db2.gz GIUPUWOOXXMSIH-QWRGUYRKSA-N -1 3 360.273 2.021 20 10 FECDHM COC(=O)[C@@H](Cc1cncs1)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000879990905 686967468 /nfs/dbraw/zinc/96/74/68/686967468.db2.gz HGCQJCMAEJAUPA-CQSZACIVSA-N -1 3 352.387 2.064 20 10 FECDHM CN(C)S(=O)(=O)c1cccc(CNCc2cc(F)cc(F)c2[O-])c1 ZINC000883133956 687574401 /nfs/dbraw/zinc/57/44/01/687574401.db2.gz LNWBUSMIXPSFHS-UHFFFAOYSA-N -1 3 356.394 2.211 20 10 FECDHM CN(C)[S@](C)(=O)=NCC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000898401377 690177016 /nfs/dbraw/zinc/17/70/16/690177016.db2.gz QANCSZWQZBTWBO-XMMPIXPASA-N -1 3 361.458 2.457 20 10 FECDHM CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)SCC(=O)[O-])N(C)C)cc1 ZINC000899855201 690428794 /nfs/dbraw/zinc/42/87/94/690428794.db2.gz UOSBRQJXOIVOBO-OAHLLOKOSA-N -1 3 367.515 2.068 20 10 FECDHM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899855161 690428890 /nfs/dbraw/zinc/42/88/90/690428890.db2.gz SPXHUIBCYAZKNW-WWGRRREGSA-N -1 3 367.515 2.066 20 10 FECDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000801326685 674122047 /nfs/dbraw/zinc/12/20/47/674122047.db2.gz DCXAHDRPZSKMSH-UHFFFAOYSA-N -1 3 354.350 2.082 20 10 FECDHM CCN(Cc1nnnn1C1CC1)Cc1cc(Br)ccc1[O-] ZINC000076118481 542235014 /nfs/dbraw/zinc/23/50/14/542235014.db2.gz RHPFPPXVFYDARL-UHFFFAOYSA-N -1 3 352.236 2.498 20 10 FECDHM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1[O-] ZINC000109769697 543338661 /nfs/dbraw/zinc/33/86/61/543338661.db2.gz HYXBNKRTGHHJQO-UHFFFAOYSA-N -1 3 355.438 2.299 20 10 FECDHM COc1cc(Br)cc(CN(C)[C@H]2CCCCNC2=O)c1[O-] ZINC000123843906 543786114 /nfs/dbraw/zinc/78/61/14/543786114.db2.gz AYLKIQXIGOZUQR-LBPRGKRZSA-N -1 3 357.248 2.264 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)c1cnn(C)c1 ZINC000123899072 543789929 /nfs/dbraw/zinc/78/99/29/543789929.db2.gz XFNZIZBQURNKJD-UHFFFAOYSA-N -1 3 374.260 2.099 20 10 FECDHM Cn1ncc2c1ncnc2N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000124375832 543817128 /nfs/dbraw/zinc/81/71/28/543817128.db2.gz GRCATDUVGBDGIV-UHFFFAOYSA-N -1 3 358.833 2.045 20 10 FECDHM O=C1NCCN1C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000127648983 544005696 /nfs/dbraw/zinc/00/56/96/544005696.db2.gz WAFXFQNSCDJVAZ-UHFFFAOYSA-N -1 3 354.248 2.144 20 10 FECDHM Cn1cc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000134269240 544300878 /nfs/dbraw/zinc/30/08/78/544300878.db2.gz SPMVFYOQWFYXRA-MRXNPFEDSA-N -1 3 362.861 2.102 20 10 FECDHM O=C(C[C@H]1COC(=O)C1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134269623 544300988 /nfs/dbraw/zinc/30/09/88/544300988.db2.gz AEPZZRWNKALUGG-DOMZBBRYSA-N -1 3 366.845 2.079 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CCCOC ZINC000175172352 546306994 /nfs/dbraw/zinc/30/69/94/546306994.db2.gz GROYNEVLHSGGLH-UHFFFAOYSA-N -1 3 366.277 2.343 20 10 FECDHM CC(=O)NC[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000183078580 547597953 /nfs/dbraw/zinc/59/79/53/547597953.db2.gz AJLGLGSMUNFRPC-HXUWFJFHSA-N -1 3 370.449 2.308 20 10 FECDHM CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(C)c3[O-])cc2)CC1 ZINC000188121214 548273001 /nfs/dbraw/zinc/27/30/01/548273001.db2.gz FXNJHMMIOZMNRH-UHFFFAOYSA-N -1 3 367.449 2.299 20 10 FECDHM Cc1cc(Cl)cc(CN2CCC(N3CCS(=O)(=O)CC3)CC2)c1[O-] ZINC000191940123 548354219 /nfs/dbraw/zinc/35/42/19/548354219.db2.gz FLMIHMIGUMHBNO-UHFFFAOYSA-N -1 3 372.918 2.049 20 10 FECDHM COC(=O)c1ccc([O-])c([C@H](C)NCC(=O)N(C)Cc2ccccc2)c1 ZINC000273369886 550495978 /nfs/dbraw/zinc/49/59/78/550495978.db2.gz FVHKWAMVYSTCNT-AWEZNQCLSA-N -1 3 356.422 2.488 20 10 FECDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(N3CCNC(=O)C3)cc2)c1 ZINC000273513000 550501170 /nfs/dbraw/zinc/50/11/70/550501170.db2.gz RZVQJPYLGUMCSX-CYBMUJFWSA-N -1 3 369.421 2.288 20 10 FECDHM C[C@@H]1CN(Cc2csc(NC(=O)c3cccc(O)c3[O-])n2)C[C@@H](C)O1 ZINC000274908876 550564324 /nfs/dbraw/zinc/56/43/24/550564324.db2.gz SRRYBLJNRCQIJU-GHMZBOCLSA-N -1 3 363.439 2.416 20 10 FECDHM CC(=O)N1CCN(Cc2cccc(NC(=O)c3cccc(O)c3[O-])c2)CC1 ZINC000275679468 550573415 /nfs/dbraw/zinc/57/34/15/550573415.db2.gz WVBNCGIEFBZBMA-UHFFFAOYSA-N -1 3 369.421 2.014 20 10 FECDHM C[C@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276932142 550612655 /nfs/dbraw/zinc/61/26/55/550612655.db2.gz OMPSEYRCTLKNTJ-HZMBPMFUSA-N -1 3 350.369 2.250 20 10 FECDHM CN(C)c1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cn1 ZINC000277255335 550648281 /nfs/dbraw/zinc/64/82/81/550648281.db2.gz IGWDZLCHWHUFCJ-UHFFFAOYSA-N -1 3 374.828 2.471 20 10 FECDHM CCN(CCNC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000277430227 550669635 /nfs/dbraw/zinc/66/96/35/550669635.db2.gz LUMBWGRBGFDGMF-UHFFFAOYSA-N -1 3 356.264 2.438 20 10 FECDHM CCOC(=O)C[C@@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000278230103 550763202 /nfs/dbraw/zinc/76/32/02/550763202.db2.gz YDMGQTMOWXOZPM-LLVKDONJSA-N -1 3 368.817 2.399 20 10 FECDHM COc1c([O-])c(CNc2ccccc2CN2CCNC2=O)ccc1[N+](=O)[O-] ZINC000278486057 550791441 /nfs/dbraw/zinc/79/14/41/550791441.db2.gz KMMDPQOSULHPNG-UHFFFAOYSA-N -1 3 372.381 2.446 20 10 FECDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]12 ZINC000280460857 550996552 /nfs/dbraw/zinc/99/65/52/550996552.db2.gz MEEKAPVRLXBRBG-MRVWCRGKSA-N -1 3 362.426 2.473 20 10 FECDHM CCn1cc(CCN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cn1 ZINC000285046005 551696301 /nfs/dbraw/zinc/69/63/01/551696301.db2.gz NVGYRBZDMSVDKF-UHFFFAOYSA-N -1 3 351.834 2.480 20 10 FECDHM CCNC(=O)OC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289383456 552312071 /nfs/dbraw/zinc/31/20/71/552312071.db2.gz MRXHUGQENLPCAU-CYBMUJFWSA-N -1 3 367.402 2.410 20 10 FECDHM CN1C(=O)NC2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1=O ZINC000289574061 552343244 /nfs/dbraw/zinc/34/32/44/552343244.db2.gz ZXKLZNIFCSYYTN-UHFFFAOYSA-N -1 3 358.225 2.215 20 10 FECDHM CON(C)C(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000291373915 552619994 /nfs/dbraw/zinc/61/99/94/552619994.db2.gz ALBNBQFKGMGPTB-UHFFFAOYSA-N -1 3 354.834 2.480 20 10 FECDHM CCOC(=O)C1([S@@](C)=O)CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000294889568 552941623 /nfs/dbraw/zinc/94/16/23/552941623.db2.gz WIEYCIPIRQHELC-HSZRJFAPSA-N -1 3 359.875 2.322 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCCC2(F)F)c1 ZINC000295432653 553006176 /nfs/dbraw/zinc/00/61/76/553006176.db2.gz NOVVLMZZLXIWMQ-SNVBAGLBSA-N -1 3 362.398 2.319 20 10 FECDHM [O-]c1cccc(Cl)c1CNC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000296457445 553162904 /nfs/dbraw/zinc/16/29/04/553162904.db2.gz OOPKLNFWFGNJCL-NSHDSACASA-N -1 3 351.786 2.304 20 10 FECDHM CC(C)(O)CN1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000364122544 555254249 /nfs/dbraw/zinc/25/42/49/555254249.db2.gz TXNCRYNKBAQHCX-UHFFFAOYSA-N -1 3 357.838 2.232 20 10 FECDHM COc1c([O-])c(CN2CCC(OC[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000365116902 555489182 /nfs/dbraw/zinc/48/91/82/555489182.db2.gz MZUMFELTWZCDDN-HNNXBMFYSA-N -1 3 366.414 2.469 20 10 FECDHM Cc1nccc(CN2CCC[C@H](NCc3cccc(Cl)c3[O-])C2=O)n1 ZINC000368621888 556366041 /nfs/dbraw/zinc/36/60/41/556366041.db2.gz BGLISPFBJIHWMM-INIZCTEOSA-N -1 3 360.845 2.425 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C(=O)N2CCSCC2)c1[O-] ZINC000371886154 557319711 /nfs/dbraw/zinc/31/97/11/557319711.db2.gz PJRSQILLFTWGEH-MRXNPFEDSA-N -1 3 366.458 2.274 20 10 FECDHM Cc1ccn2c(c1)nnc2C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000372498677 557486642 /nfs/dbraw/zinc/48/66/42/557486642.db2.gz XVYJUFCUHVBFRH-UHFFFAOYSA-N -1 3 352.394 2.469 20 10 FECDHM Cn1cc(C(=O)NC2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)cn1 ZINC000372811270 557566661 /nfs/dbraw/zinc/56/66/61/557566661.db2.gz COXDCKRHSLHJDI-UHFFFAOYSA-N -1 3 366.824 2.313 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCc2n[nH]cc2C1 ZINC000372935456 557591640 /nfs/dbraw/zinc/59/16/40/557591640.db2.gz SBXORBAKEOATDZ-ZDUSSCGKSA-N -1 3 360.801 2.090 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000377169250 558280769 /nfs/dbraw/zinc/28/07/69/558280769.db2.gz VRUBVWFQYYYCAC-CYBMUJFWSA-N -1 3 366.805 2.310 20 10 FECDHM CCOC(=O)C1(S(C)(=O)=O)CCN([C@@H](CC)c2ccccc2[O-])CC1 ZINC000377693978 558399428 /nfs/dbraw/zinc/39/94/28/558399428.db2.gz KJZMNGHQJSYEKX-HNNXBMFYSA-N -1 3 369.483 2.286 20 10 FECDHM COc1ccc(N(C)CCOc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826208896 607753954 /nfs/dbraw/zinc/75/39/54/607753954.db2.gz FGPMWGQTJWCKRA-UHFFFAOYSA-N -1 3 355.398 2.399 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1F ZINC000821197303 606272510 /nfs/dbraw/zinc/27/25/10/606272510.db2.gz INCMZUORTWUYLA-UHFFFAOYSA-N -1 3 357.393 2.110 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1F ZINC000821197303 606272511 /nfs/dbraw/zinc/27/25/11/606272511.db2.gz INCMZUORTWUYLA-UHFFFAOYSA-N -1 3 357.393 2.110 20 10 FECDHM COc1ccc(N2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1F ZINC000821831971 606633830 /nfs/dbraw/zinc/63/38/30/606633830.db2.gz VDMDOTUVCDCQHU-UHFFFAOYSA-N -1 3 372.379 2.480 20 10 FECDHM COc1ccc(N2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1F ZINC000821831971 606633831 /nfs/dbraw/zinc/63/38/31/606633831.db2.gz VDMDOTUVCDCQHU-UHFFFAOYSA-N -1 3 372.379 2.480 20 10 FECDHM COc1ccc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1F ZINC000821831610 606634117 /nfs/dbraw/zinc/63/41/17/606634117.db2.gz GADPBLFMEODTAC-UHFFFAOYSA-N -1 3 372.379 2.480 20 10 FECDHM COc1ccc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1F ZINC000821831610 606634118 /nfs/dbraw/zinc/63/41/18/606634118.db2.gz GADPBLFMEODTAC-UHFFFAOYSA-N -1 3 372.379 2.480 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826210197 608074869 /nfs/dbraw/zinc/07/48/69/608074869.db2.gz IWATYZGYGLLFHB-MRVPVSSYSA-N -1 3 374.788 2.120 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826210197 608074870 /nfs/dbraw/zinc/07/48/70/608074870.db2.gz IWATYZGYGLLFHB-MRVPVSSYSA-N -1 3 374.788 2.120 20 10 FECDHM Oc1ccccc1CN(C[C@H]1CCCO1)c1ncccc1-c1nnn[n-]1 ZINC000826511434 608076927 /nfs/dbraw/zinc/07/69/27/608076927.db2.gz QCQKBGDUEQVUCJ-CQSZACIVSA-N -1 3 352.398 2.153 20 10 FECDHM Oc1ccccc1CN(C[C@H]1CCCO1)c1ncccc1-c1nn[n-]n1 ZINC000826511434 608076928 /nfs/dbraw/zinc/07/69/28/608076928.db2.gz QCQKBGDUEQVUCJ-CQSZACIVSA-N -1 3 352.398 2.153 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000825880050 608087820 /nfs/dbraw/zinc/08/78/20/608087820.db2.gz VXOFWRYOANMREP-UHFFFAOYSA-N -1 3 354.389 2.471 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000825880050 608087821 /nfs/dbraw/zinc/08/78/21/608087821.db2.gz VXOFWRYOANMREP-UHFFFAOYSA-N -1 3 354.389 2.471 20 10 FECDHM COc1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1-c1nnn[n-]1 ZINC000826195152 608418940 /nfs/dbraw/zinc/41/89/40/608418940.db2.gz JPLQFBZGMHRLKJ-UHFFFAOYSA-N -1 3 366.425 2.340 20 10 FECDHM COc1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1-c1nn[n-]n1 ZINC000826195152 608418942 /nfs/dbraw/zinc/41/89/42/608418942.db2.gz JPLQFBZGMHRLKJ-UHFFFAOYSA-N -1 3 366.425 2.340 20 10 FECDHM O=S1(=O)CC[C@H](N(Cc2cc(Br)ccc2[O-])C2CC2)C1 ZINC000156987711 672253184 /nfs/dbraw/zinc/25/31/84/672253184.db2.gz ONARMWKFNSMBMN-ZDUSSCGKSA-N -1 3 360.273 2.306 20 10 FECDHM O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1cccc(O)c1[O-] ZINC000193168851 672715760 /nfs/dbraw/zinc/71/57/60/672715760.db2.gz MWNHSIJGYKBMBZ-UHFFFAOYSA-N -1 3 356.300 2.406 20 10 FECDHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC2 ZINC000730286448 673269042 /nfs/dbraw/zinc/26/90/42/673269042.db2.gz APEQOEQWQHNKEG-INIZCTEOSA-N -1 3 360.435 2.489 20 10 FECDHM O=C(NCCCSc1nccs1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000734513469 673466012 /nfs/dbraw/zinc/46/60/12/673466012.db2.gz YZWFEKYOLAPWSF-UHFFFAOYSA-N -1 3 362.436 2.331 20 10 FECDHM O=C(NC1CC1)N[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825519797 675657381 /nfs/dbraw/zinc/65/73/81/675657381.db2.gz MMVXHGCUWLDLPR-ZDUSSCGKSA-N -1 3 354.248 2.191 20 10 FECDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])[C@H]2CCC[C@@H]21 ZINC000826100731 675682077 /nfs/dbraw/zinc/68/20/77/675682077.db2.gz SWWCPVAXHPCGJG-JSGCOSHPSA-N -1 3 360.273 2.306 20 10 FECDHM COc1c([O-])c(CNCc2cnc(C(F)(F)F)nc2)ccc1[N+](=O)[O-] ZINC000826840301 675709595 /nfs/dbraw/zinc/70/95/95/675709595.db2.gz WVXYNCKFGNKLHF-UHFFFAOYSA-N -1 3 358.276 2.408 20 10 FECDHM CC(C)n1cc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000764238507 680803659 /nfs/dbraw/zinc/80/36/59/680803659.db2.gz YQAXMPKUCPWJHK-LLVKDONJSA-N -1 3 366.443 2.032 20 10 FECDHM O=S(=O)(CC1CC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751374497 680170088 /nfs/dbraw/zinc/17/00/88/680170088.db2.gz YDRKQVNBTCKORC-HNNXBMFYSA-N -1 3 358.891 2.339 20 10 FECDHM Cc1ccc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c([O-])c1O ZINC000751532442 680185601 /nfs/dbraw/zinc/18/56/01/680185601.db2.gz BYWVEDVJDYWGBO-UHFFFAOYSA-N -1 3 358.379 2.209 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1[O-] ZINC000753849602 680320288 /nfs/dbraw/zinc/32/02/88/680320288.db2.gz GUQRESWEVWMFOW-HZPDHXFCSA-N -1 3 355.431 2.276 20 10 FECDHM O=C(NCCN1CCCOCC1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000836473139 680474574 /nfs/dbraw/zinc/47/45/74/680474574.db2.gz JMVICIUNAHBHCS-UHFFFAOYSA-N -1 3 362.257 2.221 20 10 FECDHM Cc1cc([C@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])on1 ZINC000769701688 680991765 /nfs/dbraw/zinc/99/17/65/680991765.db2.gz LBPXNTSRWBWFNN-CYBMUJFWSA-N -1 3 365.411 2.037 20 10 FECDHM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C2=CC(=O)CS2)n[n-]1 ZINC000846642446 681271055 /nfs/dbraw/zinc/27/10/55/681271055.db2.gz JYHOCUHBOJILOM-SNVBAGLBSA-N -1 3 352.416 2.266 20 10 FECDHM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C2=CC(=O)CS2)[n-]1 ZINC000846642446 681271059 /nfs/dbraw/zinc/27/10/59/681271059.db2.gz JYHOCUHBOJILOM-SNVBAGLBSA-N -1 3 352.416 2.266 20 10 FECDHM COCCO[C@H]1C[C@@H](CO)CN(Cc2cccc(Br)c2[O-])C1 ZINC000775204520 681284574 /nfs/dbraw/zinc/28/45/74/681284574.db2.gz ORJWNAWUZBHYKA-OCCSQVGLSA-N -1 3 374.275 2.001 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000781902233 681987045 /nfs/dbraw/zinc/98/70/45/681987045.db2.gz OXSXSQNSTYCRJZ-CYBMUJFWSA-N -1 3 368.275 2.453 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](OC)[C@@H]1CCOC1 ZINC000851841867 682157621 /nfs/dbraw/zinc/15/76/21/682157621.db2.gz YPTYMHNGWFOMSX-MLGOLLRUSA-N -1 3 357.834 2.072 20 10 FECDHM O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1cccc(O)c1[O-] ZINC000790672803 682694178 /nfs/dbraw/zinc/69/41/78/682694178.db2.gz SWLCJQUHBLBKAP-UHFFFAOYSA-N -1 3 366.370 2.029 20 10 FECDHM C[C@H](NCc1nnc2n1CCOC2)c1ccc(Br)cc1[O-] ZINC000790740624 682698507 /nfs/dbraw/zinc/69/85/07/682698507.db2.gz ZNITXSFXONBUAK-VIFPVBQESA-N -1 3 353.220 2.127 20 10 FECDHM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[O-] ZINC000790904741 682711638 /nfs/dbraw/zinc/71/16/38/682711638.db2.gz YJKDUYDVLNOWSI-NEPJUHHUSA-N -1 3 350.415 2.473 20 10 FECDHM C[C@H](N[C@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1[O-] ZINC000858434413 682967860 /nfs/dbraw/zinc/96/78/60/682967860.db2.gz GKDWCTWRNGGTQE-QPUJVOFHSA-N -1 3 358.211 2.412 20 10 FECDHM O=S(=O)(CCc1ccc2c(c1)CCO2)NCc1c([O-])cccc1F ZINC000921452345 683473012 /nfs/dbraw/zinc/47/30/12/683473012.db2.gz MABDCSNUVGZOEW-UHFFFAOYSA-N -1 3 351.399 2.128 20 10 FECDHM COC(=O)[C@]1(OC)CCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000862475547 683594487 /nfs/dbraw/zinc/59/44/87/683594487.db2.gz OFUCNTBRWPSOHQ-HNNXBMFYSA-N -1 3 358.232 2.227 20 10 FECDHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCCCC2)cc1 ZINC000866642116 684128275 /nfs/dbraw/zinc/12/82/75/684128275.db2.gz CODDKLCCZNWLOI-JOCHJYFZSA-N -1 3 359.517 2.129 20 10 FECDHM Cc1scc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000870296595 684702746 /nfs/dbraw/zinc/70/27/46/684702746.db2.gz CPCUEHPJDBYLJN-UHFFFAOYSA-N -1 3 354.453 2.372 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1cccnc1F ZINC000881796439 687218577 /nfs/dbraw/zinc/21/85/77/687218577.db2.gz YNVNOPNGWMPIBV-UHFFFAOYSA-N -1 3 367.471 2.252 20 10 FECDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](Cn2ccnn2)C1 ZINC000895229440 689680479 /nfs/dbraw/zinc/68/04/79/689680479.db2.gz VOWIPWOVAXHTPK-JTQLQIEISA-N -1 3 355.211 2.407 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC3(CC2)C[C@@H](O)CCO3)c1[O-] ZINC000897262408 689996271 /nfs/dbraw/zinc/99/62/71/689996271.db2.gz ZFKOXEXGQCOHPU-ZDUSSCGKSA-N -1 3 356.806 2.460 20 10 FECDHM COC(=O)C1([C@@]2(O)CCCN(Cc3ccc(F)c(F)c3[O-])C2)CCC1 ZINC000897702800 690067240 /nfs/dbraw/zinc/06/72/40/690067240.db2.gz UNXDJARQQKUPLT-GOSISDBHSA-N -1 3 355.381 2.341 20 10 FECDHM O=C(NCc1c([O-])cccc1F)Nc1nc(CN2CCOCC2)cs1 ZINC000902945438 690822837 /nfs/dbraw/zinc/82/28/37/690822837.db2.gz TYMFDUAKZZJOFE-UHFFFAOYSA-N -1 3 366.418 2.142 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000079434360 542518784 /nfs/dbraw/zinc/51/87/84/542518784.db2.gz CRPXZJXRONWIPP-HNNXBMFYSA-N -1 3 350.434 2.278 20 10 FECDHM Cc1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1[O-] ZINC000097681159 543014675 /nfs/dbraw/zinc/01/46/75/543014675.db2.gz YPDIJQLUYMGSBA-UHFFFAOYSA-N -1 3 360.435 2.188 20 10 FECDHM CN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccc1[O-] ZINC000109768923 543338627 /nfs/dbraw/zinc/33/86/27/543338627.db2.gz BDLRZKBUNVMWKG-UHFFFAOYSA-N -1 3 359.451 2.112 20 10 FECDHM CCCN(Cc1cccc(Br)c1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000802656322 674190394 /nfs/dbraw/zinc/19/03/94/674190394.db2.gz NRSNULIQZXXDQS-LBPRGKRZSA-N -1 3 355.232 2.124 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CSC(=O)N1 ZINC000120991541 543687338 /nfs/dbraw/zinc/68/73/38/543687338.db2.gz IMGRQRTYDWUNFF-SNVBAGLBSA-N -1 3 359.245 2.328 20 10 FECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccc[n+]1[O-] ZINC000158048226 545815935 /nfs/dbraw/zinc/81/59/35/545815935.db2.gz GMZDOOOVKXKYSB-HNNXBMFYSA-N -1 3 361.829 2.073 20 10 FECDHM C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1cccs1 ZINC000173755813 546286298 /nfs/dbraw/zinc/28/62/98/546286298.db2.gz CTGZBCXRDNJEIA-NSHDSACASA-N -1 3 368.480 2.434 20 10 FECDHM CCN1CCN([C@@H]2CCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])C2)CC1 ZINC000176894561 546502412 /nfs/dbraw/zinc/50/24/12/546502412.db2.gz KJNZFBJBUPITAV-QGZVFWFLSA-N -1 3 365.905 2.460 20 10 FECDHM O=C1NC[C@@H]2CN(Cc3ccc(OCc4ccccc4)cc3[O-])CCN12 ZINC000183120982 547605154 /nfs/dbraw/zinc/60/51/54/547605154.db2.gz OLIPKARJWQXEAO-QGZVFWFLSA-N -1 3 353.422 2.181 20 10 FECDHM O=C(C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1)N1CCOCC1 ZINC000191183380 548341748 /nfs/dbraw/zinc/34/17/48/548341748.db2.gz ANCGCXZCGRPYQZ-UHFFFAOYSA-N -1 3 356.825 2.256 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1[O-] ZINC000267452762 550031679 /nfs/dbraw/zinc/03/16/79/550031679.db2.gz NJAKNELUJDRBIO-UHFFFAOYSA-N -1 3 371.412 2.155 20 10 FECDHM COC(=O)CN(Cc1cc(=O)c(OC)co1)Cc1cc(Cl)ccc1[O-] ZINC000268572220 550088920 /nfs/dbraw/zinc/08/89/20/550088920.db2.gz RHQPBVSMYTWTGO-UHFFFAOYSA-N -1 3 367.785 2.183 20 10 FECDHM C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1CC(=O)[N-]C1=O ZINC000272259300 550432079 /nfs/dbraw/zinc/43/20/79/550432079.db2.gz QFKZSNZIQIUCMX-CQSZACIVSA-N -1 3 367.405 2.034 20 10 FECDHM [O-]c1ccc(Br)cc1CN1CCN(c2ncc(F)cn2)CC1 ZINC000273733197 550509413 /nfs/dbraw/zinc/50/94/13/550509413.db2.gz KSHTXWSDRDKODI-UHFFFAOYSA-N -1 3 367.222 2.406 20 10 FECDHM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000274801743 550555728 /nfs/dbraw/zinc/55/57/28/550555728.db2.gz AYXKNQZMQBKUMS-GOEBONIOSA-N -1 3 370.471 2.087 20 10 FECDHM C[C@@H]1CN(CC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)C[C@@H](C)O1 ZINC000276575004 550579046 /nfs/dbraw/zinc/57/90/46/550579046.db2.gz KXRUDTXMSYRIKT-CHWSQXEVSA-N -1 3 366.433 2.198 20 10 FECDHM COc1c([O-])c(CN2CCC[C@H](CNC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278253179 550765786 /nfs/dbraw/zinc/76/57/86/550765786.db2.gz PIWKUYHVSZKVEL-CYBMUJFWSA-N -1 3 365.430 2.293 20 10 FECDHM COCCO[C@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000278266050 550766929 /nfs/dbraw/zinc/76/69/29/550766929.db2.gz ITASTGOWQOYSMB-BBRMVZONSA-N -1 3 371.861 2.094 20 10 FECDHM COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000278266056 550767152 /nfs/dbraw/zinc/76/71/52/550767152.db2.gz ITASTGOWQOYSMB-CZUORRHYSA-N -1 3 371.861 2.094 20 10 FECDHM CCCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000278269958 550767264 /nfs/dbraw/zinc/76/72/64/550767264.db2.gz RKQRAEMGJKUMGR-ZDUSSCGKSA-N -1 3 372.443 2.098 20 10 FECDHM COc1c([O-])c(CN2C[C@@]3(CCOC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000280272216 550975718 /nfs/dbraw/zinc/97/57/18/550975718.db2.gz MPTCYIGLDHXOSO-QGZVFWFLSA-N -1 3 352.387 2.079 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCC(F)(F)C2)c1 ZINC000282258150 551202680 /nfs/dbraw/zinc/20/26/80/551202680.db2.gz OVFVEJBQAFBNMB-SNVBAGLBSA-N -1 3 362.398 2.319 20 10 FECDHM Cc1cc(Br)cc(CN2CC[C@@H](CS(C)(=O)=O)C2)c1[O-] ZINC000292812753 552761015 /nfs/dbraw/zinc/76/10/15/552761015.db2.gz OXCYMCFAJCRRQH-LLVKDONJSA-N -1 3 362.289 2.330 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1nccnc1OC ZINC000294676762 552926006 /nfs/dbraw/zinc/92/60/06/552926006.db2.gz DATGVCOMQIRZMJ-UHFFFAOYSA-N -1 3 351.790 2.019 20 10 FECDHM CCOC(=O)C1([S@@](C)=O)CCN([C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000296639498 553191656 /nfs/dbraw/zinc/19/16/56/553191656.db2.gz XZCWCXUFQVHMMI-OIRASMEMSA-N -1 3 357.447 2.369 20 10 FECDHM COC(=O)c1cn([C@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)nn1 ZINC000365266343 555527142 /nfs/dbraw/zinc/52/71/42/555527142.db2.gz KZWBDOKQPQWNLJ-JTQLQIEISA-N -1 3 368.796 2.400 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000365757425 555660786 /nfs/dbraw/zinc/66/07/86/555660786.db2.gz IHIARRRWAOJPPC-CQSZACIVSA-N -1 3 367.361 2.362 20 10 FECDHM C[C@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000365758772 555661062 /nfs/dbraw/zinc/66/10/62/555661062.db2.gz PKWIPUBFEFRXFK-BEFAXECRSA-N -1 3 370.449 2.459 20 10 FECDHM COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1O ZINC000369035690 556483606 /nfs/dbraw/zinc/48/36/06/556483606.db2.gz IPAXXUIJNZYHHV-OAHLLOKOSA-N -1 3 370.405 2.027 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1c1cnc2c(c1)COCC2 ZINC000375955576 558104901 /nfs/dbraw/zinc/10/49/01/558104901.db2.gz YIHWEQKQZFMWBN-UHFFFAOYSA-N -1 3 373.796 2.482 20 10 FECDHM CN1CCC[C@@H](N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000378357792 558537803 /nfs/dbraw/zinc/53/78/03/558537803.db2.gz XGTMUGRAENQRCS-OAHLLOKOSA-N -1 3 368.865 2.166 20 10 FECDHM O=[N+]([O-])c1cnc(NCc2c(O)ccc3c2CCCC3)c(-c2nnn[n-]2)c1 ZINC000823651432 599063164 /nfs/dbraw/zinc/06/31/64/599063164.db2.gz JKFXNZDQXNHJIB-UHFFFAOYSA-N -1 3 367.369 2.366 20 10 FECDHM O=[N+]([O-])c1cnc(NCc2c(O)ccc3c2CCCC3)c(-c2nn[n-]n2)c1 ZINC000823651432 599063166 /nfs/dbraw/zinc/06/31/66/599063166.db2.gz JKFXNZDQXNHJIB-UHFFFAOYSA-N -1 3 367.369 2.366 20 10 FECDHM Cc1nnc(NCc2c(O)ccc3c2CCCC3)c(-c2nnn[n-]2)c1C ZINC000822515481 599063331 /nfs/dbraw/zinc/06/33/31/599063331.db2.gz NAFHETWIZXEGAO-UHFFFAOYSA-N -1 3 351.414 2.470 20 10 FECDHM Cc1nnc(NCc2c(O)ccc3c2CCCC3)c(-c2nn[n-]n2)c1C ZINC000822515481 599063334 /nfs/dbraw/zinc/06/33/34/599063334.db2.gz NAFHETWIZXEGAO-UHFFFAOYSA-N -1 3 351.414 2.470 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737105109 598772772 /nfs/dbraw/zinc/77/27/72/598772772.db2.gz DIYPHGVNZVQGNS-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737105109 598772774 /nfs/dbraw/zinc/77/27/74/598772774.db2.gz DIYPHGVNZVQGNS-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737106591 598779393 /nfs/dbraw/zinc/77/93/93/598779393.db2.gz VLQSIFQOZHRLHV-LBPRGKRZSA-N -1 3 367.409 2.391 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106591 598779394 /nfs/dbraw/zinc/77/93/94/598779394.db2.gz VLQSIFQOZHRLHV-LBPRGKRZSA-N -1 3 367.409 2.391 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1F ZINC000821197931 606287224 /nfs/dbraw/zinc/28/72/24/606287224.db2.gz PFEUHGXYOYCQRM-UHFFFAOYSA-N -1 3 371.420 2.121 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1F ZINC000821197931 606287226 /nfs/dbraw/zinc/28/72/26/606287226.db2.gz PFEUHGXYOYCQRM-UHFFFAOYSA-N -1 3 371.420 2.121 20 10 FECDHM CON(C)C(=O)C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000812779696 674697380 /nfs/dbraw/zinc/69/73/80/674697380.db2.gz FVNZNKUPCRTJMB-UHFFFAOYSA-N -1 3 357.248 2.387 20 10 FECDHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000740700990 673650874 /nfs/dbraw/zinc/65/08/74/673650874.db2.gz QIFGEZCTRMJSAJ-UHFFFAOYSA-N -1 3 365.407 2.443 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000743654064 673767392 /nfs/dbraw/zinc/76/73/92/673767392.db2.gz CHUSFFVGEFXPEO-ZFWWWQNUSA-N -1 3 352.456 2.462 20 10 FECDHM Cc1cc([O-])c(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1Cl ZINC000824542488 675609562 /nfs/dbraw/zinc/60/95/62/675609562.db2.gz UBJTXDJKRRCDQX-CYBMUJFWSA-N -1 3 351.878 2.139 20 10 FECDHM CCOC(=O)[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC12COC2 ZINC000830268834 677032971 /nfs/dbraw/zinc/03/29/71/677032971.db2.gz BPKVZQZMIIVRFU-OAHLLOKOSA-N -1 3 367.829 2.260 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@H]2C2CCC2)c1 ZINC000841464726 680884043 /nfs/dbraw/zinc/88/40/43/680884043.db2.gz RFORCUPIBOUOAO-AWEZNQCLSA-N -1 3 370.496 2.121 20 10 FECDHM Cc1cc(Br)cc(C[NH2+][C@H](C(=O)[O-])c2ccnn2C)c1[O-] ZINC000843040848 680984467 /nfs/dbraw/zinc/98/44/67/680984467.db2.gz ZIEGYHHCLWHXIM-LBPRGKRZSA-N -1 3 354.204 2.112 20 10 FECDHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000917716260 685534062 /nfs/dbraw/zinc/53/40/62/685534062.db2.gz RNLMPCTXYZLHNR-UHFFFAOYSA-N -1 3 351.380 2.135 20 10 FECDHM O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(O)c1[O-] ZINC000790500394 682682473 /nfs/dbraw/zinc/68/24/73/682682473.db2.gz DDJUWUMGYWEYGI-UHFFFAOYSA-N -1 3 362.407 2.135 20 10 FECDHM C[C@@H](N[C@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1[O-] ZINC000858434804 682968185 /nfs/dbraw/zinc/96/81/85/682968185.db2.gz PZVDPIIYRDDCCR-PRHODGIISA-N -1 3 358.211 2.412 20 10 FECDHM CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000927044609 683202806 /nfs/dbraw/zinc/20/28/06/683202806.db2.gz IKVWLZROXGQRMB-NSHDSACASA-N -1 3 353.394 2.340 20 10 FECDHM CN(Cc1ccc(Cl)nc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000919811670 683300573 /nfs/dbraw/zinc/30/05/73/683300573.db2.gz RNYUDQAFPARUBJ-UHFFFAOYSA-N -1 3 369.830 2.084 20 10 FECDHM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1c([O-])cccc1Br ZINC000862299595 683567583 /nfs/dbraw/zinc/56/75/83/683567583.db2.gz CCMJHTVPWIHFAK-MFKMUULPSA-N -1 3 358.232 2.307 20 10 FECDHM CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000886963207 688348034 /nfs/dbraw/zinc/34/80/34/688348034.db2.gz LYKXBKIQXFKQNH-HOCLYGCPSA-N -1 3 353.390 2.324 20 10 FECDHM O=C1CC[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@H]2N1 ZINC000895258308 689685831 /nfs/dbraw/zinc/68/58/31/689685831.db2.gz CFSDQMWBQIIXJE-TVQRCGJNSA-N -1 3 357.223 2.394 20 10 FECDHM Cc1cc([O-])c(CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000895378996 689706795 /nfs/dbraw/zinc/70/67/95/689706795.db2.gz LAVCJYMDGJQWJP-WNSKOXEYSA-N -1 3 353.875 2.393 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)n1cncn1 ZINC000075416633 542178527 /nfs/dbraw/zinc/17/85/27/542178527.db2.gz KEFDLABVGTZDKF-SNVBAGLBSA-N -1 3 353.220 2.356 20 10 FECDHM Cn1cnnc1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000091795009 542826112 /nfs/dbraw/zinc/82/61/12/542826112.db2.gz CRFWHPICALJDNV-UHFFFAOYSA-N -1 3 351.794 2.462 20 10 FECDHM COC(=O)CN(Cc1cc(C(N)=O)cs1)Cc1cc(Cl)ccc1[O-] ZINC000093277155 542922516 /nfs/dbraw/zinc/92/25/16/542922516.db2.gz LIJPSBHHHFQECT-UHFFFAOYSA-N -1 3 368.842 2.381 20 10 FECDHM COCCOc1ccc(CNC(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000109772733 543338534 /nfs/dbraw/zinc/33/85/34/543338534.db2.gz AEOACJOXAZIICF-UHFFFAOYSA-N -1 3 358.438 2.166 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCN1C(N)=O ZINC000121009010 543688192 /nfs/dbraw/zinc/68/81/92/543688192.db2.gz JCWXVPNOFMQHPU-LBPRGKRZSA-N -1 3 370.247 2.046 20 10 FECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cccc[n+]1[O-] ZINC000158048089 545816364 /nfs/dbraw/zinc/81/63/64/545816364.db2.gz GMZDOOOVKXKYSB-OAHLLOKOSA-N -1 3 361.829 2.073 20 10 FECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)s1 ZINC000177675271 546665264 /nfs/dbraw/zinc/66/52/64/546665264.db2.gz PHVOEEFIYZMPJC-UHFFFAOYSA-N -1 3 360.435 2.374 20 10 FECDHM Cc1ccc(C(=O)N2CCN(c3ncnc4sccc43)CC2)c([O-])c1O ZINC000181850695 547391250 /nfs/dbraw/zinc/39/12/50/547391250.db2.gz RZXWPLRSNLJTAL-UHFFFAOYSA-N -1 3 370.434 2.373 20 10 FECDHM COc1cc(Br)cc(CN2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000187543099 548260148 /nfs/dbraw/zinc/26/01/48/548260148.db2.gz JACAQBBRTRBHJJ-OAHLLOKOSA-N -1 3 358.232 2.155 20 10 FECDHM COc1cc(Br)cc(CN2CCC[C@@]23CCOC3=O)c1[O-] ZINC000190033088 548316863 /nfs/dbraw/zinc/31/68/63/548316863.db2.gz JTWYWGJXDYCKGM-HNNXBMFYSA-N -1 3 356.216 2.445 20 10 FECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1F ZINC000192987473 548378145 /nfs/dbraw/zinc/37/81/45/548378145.db2.gz HHZBIFPEFBXESH-UHFFFAOYSA-N -1 3 358.369 2.144 20 10 FECDHM COc1cc(Br)cc(CN2CCOC[C@@]23CCOC3)c1[O-] ZINC000195018385 548565112 /nfs/dbraw/zinc/56/51/12/548565112.db2.gz PBZSSQAJGCVHKO-HNNXBMFYSA-N -1 3 358.232 2.155 20 10 FECDHM CCCO[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000264490214 549996560 /nfs/dbraw/zinc/99/65/60/549996560.db2.gz NQCKADUKFQSMSW-AWEZNQCLSA-N -1 3 370.471 2.185 20 10 FECDHM CS[C@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000265412329 550009454 /nfs/dbraw/zinc/00/94/54/550009454.db2.gz ZCIZKPBVGUTQBH-JQWIXIFHSA-N -1 3 358.485 2.168 20 10 FECDHM COC(=O)CN(CCCc1nc(C)no1)Cc1cc(Cl)ccc1[O-] ZINC000268719749 550108154 /nfs/dbraw/zinc/10/81/54/550108154.db2.gz ZNRBQSFGRVODTM-UHFFFAOYSA-N -1 3 353.806 2.345 20 10 FECDHM CS[C@@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000269542278 550205293 /nfs/dbraw/zinc/20/52/93/550205293.db2.gz XIXLNCUFINQOJL-GFCCVEGCSA-N -1 3 358.485 2.121 20 10 FECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000273499778 550500599 /nfs/dbraw/zinc/50/05/99/550500599.db2.gz PYMYJFRXECVENS-GXFFZTMASA-N -1 3 374.359 2.383 20 10 FECDHM COc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)cc(OC)c1OC ZINC000274004959 550519235 /nfs/dbraw/zinc/51/92/35/550519235.db2.gz PTKRAGSUWYJUMY-UHFFFAOYSA-N -1 3 372.421 2.380 20 10 FECDHM COc1c([O-])c(CN2CCN(Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000278529370 550795699 /nfs/dbraw/zinc/79/56/99/550795699.db2.gz URPOSGADXLQKOP-UHFFFAOYSA-N -1 3 358.398 2.022 20 10 FECDHM CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3nc(=O)[n-][nH]3)CC2)c1[O-] ZINC000289576002 552343685 /nfs/dbraw/zinc/34/36/85/552343685.db2.gz YVAUKCSWNOMBAH-UHFFFAOYSA-N -1 3 350.806 2.039 20 10 FECDHM Cc1ccc(C(=O)N(C)CCn2cc(Br)cn2)c([O-])c1O ZINC000293172537 552795756 /nfs/dbraw/zinc/79/57/56/552795756.db2.gz YUKREOHHNVOZLV-UHFFFAOYSA-N -1 3 354.204 2.137 20 10 FECDHM Cc1cc(N2CC[C@H](NCc3cc(Cl)c(F)cc3[O-])C2=O)n(C)n1 ZINC000293733199 552851248 /nfs/dbraw/zinc/85/12/48/552851248.db2.gz WOPIJEXPLJSOCS-ZDUSSCGKSA-N -1 3 352.797 2.122 20 10 FECDHM CCCOc1ccc(CN(C)Cc2ccccc2S(N)(=O)=O)c([O-])c1 ZINC000293804369 552857890 /nfs/dbraw/zinc/85/78/90/552857890.db2.gz DMBMQZDLOSPSEN-UHFFFAOYSA-N -1 3 364.467 2.460 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cc2n(n1)CCC2 ZINC000294866307 552939853 /nfs/dbraw/zinc/93/98/53/552939853.db2.gz CSBDQZISOILXKL-UHFFFAOYSA-N -1 3 363.801 2.004 20 10 FECDHM CCOC(=O)C1([S@](C)=O)CCN([C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000296639500 553191602 /nfs/dbraw/zinc/19/16/02/553191602.db2.gz XZCWCXUFQVHMMI-YYUOZPCZSA-N -1 3 357.447 2.369 20 10 FECDHM COc1c([O-])c(CN[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000364446318 555315718 /nfs/dbraw/zinc/31/57/18/555315718.db2.gz JVNFICQAXQLWPY-HNNXBMFYSA-N -1 3 371.393 2.200 20 10 FECDHM COc1c([O-])c(CN2CCC(OC[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000365817428 555674262 /nfs/dbraw/zinc/67/42/62/555674262.db2.gz IJSBVEICVQXRCW-ZDUSSCGKSA-N -1 3 366.414 2.327 20 10 FECDHM COc1cc(Br)cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1[O-] ZINC000368972677 556463940 /nfs/dbraw/zinc/46/39/40/556463940.db2.gz HHFNGFVFLXDFEA-BHYNMZESSA-N -1 3 369.259 2.249 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000369140075 556514166 /nfs/dbraw/zinc/51/41/66/556514166.db2.gz OKBIRRSJVLAUTE-ZDUSSCGKSA-N -1 3 352.394 2.235 20 10 FECDHM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cccc(O)c3[O-])C2)c1 ZINC000370132395 556790022 /nfs/dbraw/zinc/79/00/22/556790022.db2.gz NXIINDSJCGHFAN-GFCCVEGCSA-N -1 3 358.394 2.124 20 10 FECDHM COc1ccc(C2=NO[C@H](CNC(=O)c3cccc(O)c3[O-])C2)cc1F ZINC000374774017 557929397 /nfs/dbraw/zinc/92/93/97/557929397.db2.gz AAAVEXXQJZRIRI-NSHDSACASA-N -1 3 360.341 2.169 20 10 FECDHM COc1cccc([C@H](NC(=O)c2cccc(O)c2[O-])c2nccn2C)c1 ZINC000375667887 558064464 /nfs/dbraw/zinc/06/44/64/558064464.db2.gz AKHALXZXNVVZRI-INIZCTEOSA-N -1 3 353.378 2.359 20 10 FECDHM COc1c([O-])c(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000376466760 558177144 /nfs/dbraw/zinc/17/71/44/558177144.db2.gz AERJINSSIOEVHR-UHFFFAOYSA-N -1 3 373.413 2.232 20 10 FECDHM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)c([O-])c1O ZINC000376615333 558198052 /nfs/dbraw/zinc/19/80/52/558198052.db2.gz PFULIKSZKLUGPE-CYBMUJFWSA-N -1 3 355.394 2.292 20 10 FECDHM Cc1cc(Br)cc(CN2CC(n3cc([C@@H](C)O)nn3)C2)c1[O-] ZINC000378530027 558576178 /nfs/dbraw/zinc/57/61/78/558576178.db2.gz FAABMLMDURLAAA-SNVBAGLBSA-N -1 3 367.247 2.165 20 10 FECDHM COc1cc(Br)cc(CN2CCOC[C@@H]2c2ncon2)c1[O-] ZINC000378546929 558580169 /nfs/dbraw/zinc/58/01/69/558580169.db2.gz XBFAVTHLISLGPM-LLVKDONJSA-N -1 3 370.203 2.120 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000736532478 598556778 /nfs/dbraw/zinc/55/67/78/598556778.db2.gz SWLXASYEBBWQOW-UHFFFAOYSA-N -1 3 369.404 2.177 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000736532478 598556779 /nfs/dbraw/zinc/55/67/79/598556779.db2.gz SWLXASYEBBWQOW-UHFFFAOYSA-N -1 3 369.404 2.177 20 10 FECDHM COCc1noc(-c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000737021825 598610803 /nfs/dbraw/zinc/61/08/03/598610803.db2.gz DHORSHFLQSJCQV-UHFFFAOYSA-N -1 3 351.370 2.471 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737105440 598770961 /nfs/dbraw/zinc/77/09/61/598770961.db2.gz GNMGLKNAKRJXBQ-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105440 598770962 /nfs/dbraw/zinc/77/09/62/598770962.db2.gz GNMGLKNAKRJXBQ-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM CN1CCN(C(=O)C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)CC1 ZINC000809733369 674507710 /nfs/dbraw/zinc/50/77/10/674507710.db2.gz UIGANTSMWXWESM-UHFFFAOYSA-N -1 3 369.868 2.171 20 10 FECDHM CCCN1CCC[C@@H]1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000826922277 603027251 /nfs/dbraw/zinc/02/72/51/603027251.db2.gz WCBOWGQEIILTOE-IAGOWNOFSA-N -1 3 362.474 2.052 20 10 FECDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccccc1-c1nnn[n-]1 ZINC000825812510 607787323 /nfs/dbraw/zinc/78/73/23/607787323.db2.gz LLYRAMWILQBHBX-ZHACJKMWSA-N -1 3 357.377 2.486 20 10 FECDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccccc1-c1nn[n-]n1 ZINC000825812510 607787324 /nfs/dbraw/zinc/78/73/24/607787324.db2.gz LLYRAMWILQBHBX-ZHACJKMWSA-N -1 3 357.377 2.486 20 10 FECDHM CN(Cc1ccc(Br)cc1[O-])CC(C)(C)S(C)(=O)=O ZINC000713911477 673071126 /nfs/dbraw/zinc/07/11/26/673071126.db2.gz BVHQCUDOGUPYDC-UHFFFAOYSA-N -1 3 350.278 2.410 20 10 FECDHM CS(=O)(=O)C[C@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000707153045 673063257 /nfs/dbraw/zinc/06/32/57/673063257.db2.gz RVIFJNPVKRQQJX-NSHDSACASA-N -1 3 362.289 2.411 20 10 FECDHM Cc1cc([O-])c(CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840919170 680853212 /nfs/dbraw/zinc/85/32/12/680853212.db2.gz WNLNRWIDOPEWIG-OAHLLOKOSA-N -1 3 365.905 2.483 20 10 FECDHM CS[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C ZINC000752875793 680263980 /nfs/dbraw/zinc/26/39/80/680263980.db2.gz KKBDOHJHRQXYNO-ZDUSSCGKSA-N -1 3 360.501 2.271 20 10 FECDHM CCCN(CCC)S(=O)(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000754153460 680340422 /nfs/dbraw/zinc/34/04/22/680340422.db2.gz IOLPYJZKJPRJSC-UHFFFAOYSA-N -1 3 373.494 2.016 20 10 FECDHM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(O)cc3F)cc2o1 ZINC000758172038 680559373 /nfs/dbraw/zinc/55/93/73/680559373.db2.gz YSVAKHBEZQLHMW-UHFFFAOYSA-N -1 3 358.734 2.420 20 10 FECDHM Cc1cc([C@@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])on1 ZINC000769701689 680991812 /nfs/dbraw/zinc/99/18/12/680991812.db2.gz LBPXNTSRWBWFNN-ZDUSSCGKSA-N -1 3 365.411 2.037 20 10 FECDHM Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000770498640 681017986 /nfs/dbraw/zinc/01/79/86/681017986.db2.gz FHIGTTDUQOFSKP-UHFFFAOYSA-N -1 3 350.396 2.338 20 10 FECDHM Cc1cc(Cl)cc(C[NH+]2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1[O-] ZINC000844933150 681094088 /nfs/dbraw/zinc/09/40/88/681094088.db2.gz CMZBSKFZTVGVSG-ZDUSSCGKSA-N -1 3 366.845 2.252 20 10 FECDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773087755 681125061 /nfs/dbraw/zinc/12/50/61/681125061.db2.gz KHICXQKTTCKAPE-JTQLQIEISA-N -1 3 356.879 2.487 20 10 FECDHM C[C@@]1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@]1(F)Cl ZINC000846414302 681237869 /nfs/dbraw/zinc/23/78/69/681237869.db2.gz WWZGLEWMBDUIJV-ZIAGYGMSSA-N -1 3 364.826 2.198 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846579044 681263034 /nfs/dbraw/zinc/26/30/34/681263034.db2.gz JPVWIXUUFRJWTP-AWEZNQCLSA-N -1 3 360.382 2.025 20 10 FECDHM CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775650131 681321655 /nfs/dbraw/zinc/32/16/55/681321655.db2.gz QTFVOVPJIDZRFE-ZDUSSCGKSA-N -1 3 364.870 2.479 20 10 FECDHM O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1cccc(O)c1[O-] ZINC000776645373 681421838 /nfs/dbraw/zinc/42/18/38/681421838.db2.gz NFSQVLHCSRDKCP-CYBMUJFWSA-N -1 3 362.382 2.391 20 10 FECDHM CC(C)CC(=O)N1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000915686943 685517470 /nfs/dbraw/zinc/51/74/70/685517470.db2.gz HROOCCGXBMFOLE-UHFFFAOYSA-N -1 3 351.422 2.368 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(C3CCC3)CC2)c1 ZINC000855439755 682669099 /nfs/dbraw/zinc/66/90/99/682669099.db2.gz NNJWRUBWCSLHIW-UHFFFAOYSA-N -1 3 352.456 2.416 20 10 FECDHM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[O-] ZINC000790904743 682711691 /nfs/dbraw/zinc/71/16/91/682711691.db2.gz YJKDUYDVLNOWSI-NWDGAFQWSA-N -1 3 350.415 2.473 20 10 FECDHM C[C@H](N[C@@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1[O-] ZINC000858434414 682967767 /nfs/dbraw/zinc/96/77/67/682967767.db2.gz GKDWCTWRNGGTQE-UFBFGSQYSA-N -1 3 358.211 2.412 20 10 FECDHM CCn1nccc1CN(CCO)Cc1c([O-])cccc1Br ZINC000862350916 683575149 /nfs/dbraw/zinc/57/51/49/683575149.db2.gz JBMAEZYCBDISIC-UHFFFAOYSA-N -1 3 354.248 2.366 20 10 FECDHM COC(=O)CN(Cc1cnn(CCF)c1)Cc1cc(Cl)ccc1[O-] ZINC000929970938 683663244 /nfs/dbraw/zinc/66/32/44/683663244.db2.gz GMKDNJRTCHFYKR-UHFFFAOYSA-N -1 3 355.797 2.387 20 10 FECDHM [O-]c1c(Br)cccc1CNCc1cn(C[C@@H]2CCCO2)nn1 ZINC000877478139 686386095 /nfs/dbraw/zinc/38/60/95/686386095.db2.gz BIMJQAGQMBSVQY-ZDUSSCGKSA-N -1 3 367.247 2.215 20 10 FECDHM COC(=O)C1=NO[C@]2(CCN(Cc3ccc(Br)cc3[O-])C2)C1 ZINC000877712732 686442946 /nfs/dbraw/zinc/44/29/46/686442946.db2.gz SLQUOOITGGGCQS-OAHLLOKOSA-N -1 3 369.215 2.049 20 10 FECDHM COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cccc(O)c1[O-])CCS2 ZINC000890605462 688945495 /nfs/dbraw/zinc/94/54/95/688945495.db2.gz VBUMQSRPALSWBP-VVHFOWEKSA-N -1 3 351.424 2.045 20 10 FECDHM COC(=O)[C@@](C)(Cn1cccn1)NCc1ccc(Br)cc1[O-] ZINC000898343473 690161862 /nfs/dbraw/zinc/16/18/62/690161862.db2.gz XBUACCLLZLHZAB-OAHLLOKOSA-N -1 3 368.231 2.073 20 10 FECDHM CN(C)c1ccc([C@H](CNC(=O)C(C)(C)SCC(=O)[O-])N(C)C)cc1 ZINC000899855200 690428935 /nfs/dbraw/zinc/42/89/35/690428935.db2.gz UOSBRQJXOIVOBO-HNNXBMFYSA-N -1 3 367.515 2.068 20 10 FECDHM C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(C)Cc1ccccc1[O-] ZINC000111235255 543388295 /nfs/dbraw/zinc/38/82/95/543388295.db2.gz PBZQMDZZIPGZFQ-ZBFHGGJFSA-N -1 3 356.422 2.169 20 10 FECDHM Cn1cc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)cn1 ZINC000126039044 543914612 /nfs/dbraw/zinc/91/46/12/543914612.db2.gz XZGUAZMXUFBTMP-UHFFFAOYSA-N -1 3 351.248 2.210 20 10 FECDHM CCOC(=O)C1CCN(C(=O)CN(C)Cc2c([O-])cccc2Cl)CC1 ZINC000130193619 544142093 /nfs/dbraw/zinc/14/20/93/544142093.db2.gz HNAGNLSKQMNXHH-UHFFFAOYSA-N -1 3 368.861 2.279 20 10 FECDHM O=S(=O)(CCCF)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000161827373 546133921 /nfs/dbraw/zinc/13/39/21/546133921.db2.gz XZUVWIPEPRHRBW-CQSZACIVSA-N -1 3 364.870 2.289 20 10 FECDHM CC(C)NS(=O)(=O)CCN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000185971104 548067735 /nfs/dbraw/zinc/06/77/35/548067735.db2.gz VQQVFOSDADZYGK-JTQLQIEISA-N -1 3 365.293 2.133 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)Cc1c(C)n[nH]c1C ZINC000189168696 548298151 /nfs/dbraw/zinc/29/81/51/548298151.db2.gz YLBLPELFARADIK-UHFFFAOYSA-N -1 3 365.817 2.130 20 10 FECDHM COc1cccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1O ZINC000269791033 550225657 /nfs/dbraw/zinc/22/56/57/550225657.db2.gz MWLMQHBTYPEQFD-UHFFFAOYSA-N -1 3 366.395 2.404 20 10 FECDHM C[C@@H](NCc1ccc(N2CCOCC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273438471 550498600 /nfs/dbraw/zinc/49/86/00/550498600.db2.gz XTMILSIPKAMNAF-CYBMUJFWSA-N -1 3 358.398 2.383 20 10 FECDHM CNS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000276875463 550606022 /nfs/dbraw/zinc/60/60/22/550606022.db2.gz FIMSEMVFHJDTBI-JTQLQIEISA-N -1 3 356.394 2.429 20 10 FECDHM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277403453 550666138 /nfs/dbraw/zinc/66/61/38/550666138.db2.gz JZRMWFXIQDCPGP-IINYFYTJSA-N -1 3 368.275 2.437 20 10 FECDHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277403466 550666387 /nfs/dbraw/zinc/66/63/87/550666387.db2.gz JZRMWFXIQDCPGP-YGRLFVJLSA-N -1 3 368.275 2.437 20 10 FECDHM CN(C)C(=O)c1ccc(CNCc2cccc(Br)c2[O-])[nH]1 ZINC000278344365 550775244 /nfs/dbraw/zinc/77/52/44/550775244.db2.gz HWMCGPMMONKLLJ-UHFFFAOYSA-N -1 3 352.232 2.474 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000291916980 552674470 /nfs/dbraw/zinc/67/44/70/552674470.db2.gz MWQJVOQBQGUQFU-HNNXBMFYSA-N -1 3 350.440 2.168 20 10 FECDHM Cc1nnsc1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000292454609 552728213 /nfs/dbraw/zinc/72/82/13/552728213.db2.gz LEKIXJVWVNYKGS-UHFFFAOYSA-N -1 3 352.803 2.170 20 10 FECDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000292515586 552734046 /nfs/dbraw/zinc/73/40/46/552734046.db2.gz BIQKVAUONGJACQ-CYBMUJFWSA-N -1 3 370.471 2.183 20 10 FECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C(F)(F)F)c1[O-] ZINC000361816095 554936677 /nfs/dbraw/zinc/93/66/77/554936677.db2.gz RRCDRTNHHSXNRF-TVQRCGJNSA-N -1 3 362.323 2.362 20 10 FECDHM Cc1csc(NC(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)n1 ZINC000363927517 555215637 /nfs/dbraw/zinc/21/56/37/555215637.db2.gz LTHUDMTXILHUFF-UHFFFAOYSA-N -1 3 361.423 2.354 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@]1(C)CNC(=O)C1 ZINC000364206032 555269769 /nfs/dbraw/zinc/26/97/69/555269769.db2.gz LMZZJMGZJDBHCH-HNNXBMFYSA-N -1 3 355.232 2.029 20 10 FECDHM COc1c([O-])c(CN2CCC(OC[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000365116906 555489367 /nfs/dbraw/zinc/48/93/67/555489367.db2.gz MZUMFELTWZCDDN-OAHLLOKOSA-N -1 3 366.414 2.469 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@]1(C)CCCNC1=O ZINC000365185261 555505165 /nfs/dbraw/zinc/50/51/65/555505165.db2.gz VCGUXGIQNPSHCO-INIZCTEOSA-N -1 3 369.259 2.420 20 10 FECDHM COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3cccc(O)c3[O-])C2)c1 ZINC000365314209 555539517 /nfs/dbraw/zinc/53/95/17/555539517.db2.gz LQLOULYUWSWDLP-CYBMUJFWSA-N -1 3 372.421 2.466 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCO[C@H]1C1CC1 ZINC000365315766 555540001 /nfs/dbraw/zinc/54/00/01/555540001.db2.gz DWLLMVXNHRTQRQ-CJNGLKHVSA-N -1 3 350.802 2.377 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCO[C@@H]1C1CC1 ZINC000365315768 555540168 /nfs/dbraw/zinc/54/01/68/555540168.db2.gz DWLLMVXNHRTQRQ-XJKSGUPXSA-N -1 3 350.802 2.377 20 10 FECDHM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)c([O-])c1O ZINC000367893413 556166527 /nfs/dbraw/zinc/16/65/27/556166527.db2.gz MGJSAUSKJVBLGM-LLVKDONJSA-N -1 3 361.423 2.354 20 10 FECDHM Cc1cc(Br)cc([C@@H](C)NCc2nnc3n2CCOC3)c1[O-] ZINC000368992240 556469747 /nfs/dbraw/zinc/46/97/47/556469747.db2.gz XKKTXJLWOKPLQD-SNVBAGLBSA-N -1 3 367.247 2.436 20 10 FECDHM COc1c([O-])c(CN2CCCC[C@@H]2CN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000373210226 557650631 /nfs/dbraw/zinc/65/06/31/557650631.db2.gz OCWWTLZYJHEINR-CQSZACIVSA-N -1 3 363.414 2.286 20 10 FECDHM O=C(CC1OCCCO1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000373539318 557713704 /nfs/dbraw/zinc/71/37/04/557713704.db2.gz QZYHEKQZHAPQFK-OAHLLOKOSA-N -1 3 368.861 2.279 20 10 FECDHM CCOC(=O)c1c[n-]n(C2CC[NH+](Cc3cccc(C)c3[O-])CC2)c1=N ZINC000375013101 557964131 /nfs/dbraw/zinc/96/41/31/557964131.db2.gz OTMDBKJVRULLGD-UHFFFAOYSA-N -1 3 358.442 2.323 20 10 FECDHM COCCCOCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378446845 558559383 /nfs/dbraw/zinc/55/93/83/558559383.db2.gz DBOZORMGVSMHEK-INIZCTEOSA-N -1 3 370.877 2.179 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529669585 562380769 /nfs/dbraw/zinc/38/07/69/562380769.db2.gz ZFIVLPXECGUEHA-IYBDPMFKSA-N -1 3 358.276 2.276 20 10 FECDHM CCOc1ccc(N(C)CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736643959 598864816 /nfs/dbraw/zinc/86/48/16/598864816.db2.gz CAHLHWFBTVMEGL-UHFFFAOYSA-N -1 3 352.398 2.340 20 10 FECDHM CCOc1ccc(N(C)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736643959 598864818 /nfs/dbraw/zinc/86/48/18/598864818.db2.gz CAHLHWFBTVMEGL-UHFFFAOYSA-N -1 3 352.398 2.340 20 10 FECDHM Cc1cc(C(=O)N(C)[C@@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226465 598403855 /nfs/dbraw/zinc/40/38/55/598403855.db2.gz ADTKMAPKTUKUFF-MRXNPFEDSA-N -1 3 366.425 2.135 20 10 FECDHM CC(=O)C(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000808019731 674438018 /nfs/dbraw/zinc/43/80/18/674438018.db2.gz IFDNVUVHHBBXGJ-UHFFFAOYSA-N -1 3 362.798 2.425 20 10 FECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823540632 607457811 /nfs/dbraw/zinc/45/78/11/607457811.db2.gz ILZYOTWGJHPZEO-LCYFTJDESA-N -1 3 358.402 2.462 20 10 FECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823540632 607457812 /nfs/dbraw/zinc/45/78/12/607457812.db2.gz ILZYOTWGJHPZEO-LCYFTJDESA-N -1 3 358.402 2.462 20 10 FECDHM C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825871334 603854007 /nfs/dbraw/zinc/85/40/07/603854007.db2.gz DOWCEWWEEIHILV-JKIFEVAISA-N -1 3 362.474 2.050 20 10 FECDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000826249335 607675649 /nfs/dbraw/zinc/67/56/49/607675649.db2.gz XFXWNKQTSBTWPB-UHFFFAOYSA-N -1 3 354.389 2.310 20 10 FECDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000826249335 607675650 /nfs/dbraw/zinc/67/56/50/607675650.db2.gz XFXWNKQTSBTWPB-UHFFFAOYSA-N -1 3 354.389 2.310 20 10 FECDHM O=C(C=Cc1cnc2ccccc2n1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826402839 607954425 /nfs/dbraw/zinc/95/44/25/607954425.db2.gz DCGZCHRLAYBDAN-FPLPWBNLSA-N -1 3 369.388 2.412 20 10 FECDHM O=C(C=Cc1cnc2ccccc2n1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826402839 607954426 /nfs/dbraw/zinc/95/44/26/607954426.db2.gz DCGZCHRLAYBDAN-FPLPWBNLSA-N -1 3 369.388 2.412 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825879069 609452887 /nfs/dbraw/zinc/45/28/87/609452887.db2.gz GQMPQDHXDGUFQT-UHFFFAOYSA-N -1 3 365.397 2.364 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825879069 609452889 /nfs/dbraw/zinc/45/28/89/609452889.db2.gz GQMPQDHXDGUFQT-UHFFFAOYSA-N -1 3 365.397 2.364 20 10 FECDHM O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc2n[n-]nc21 ZINC000182726974 672451802 /nfs/dbraw/zinc/45/18/02/672451802.db2.gz YPTSCQTUUNTTRL-UHFFFAOYSA-N -1 3 353.451 2.441 20 10 FECDHM COCCCN(Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000824534739 675609341 /nfs/dbraw/zinc/60/93/41/675609341.db2.gz JFWPONZJLSWBES-CQSZACIVSA-N -1 3 361.891 2.380 20 10 FECDHM Cc1cc([O-])c(CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1Cl ZINC000824905742 675628433 /nfs/dbraw/zinc/62/84/33/675628433.db2.gz BKWFLJJEQVMCAD-OAHLLOKOSA-N -1 3 365.905 2.483 20 10 FECDHM Cc1cc([O-])c(CN2CCN(c3ncccc3C(N)=O)CC2)c(Cl)c1 ZINC000840909416 680852162 /nfs/dbraw/zinc/85/21/62/680852162.db2.gz AZTWWMSTVMOZQY-UHFFFAOYSA-N -1 3 360.845 2.170 20 10 FECDHM CC[C@H](C)NC(=O)CN1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840909992 680852211 /nfs/dbraw/zinc/85/22/11/680852211.db2.gz JHRWJSYEMAMEST-AWEZNQCLSA-N -1 3 353.894 2.386 20 10 FECDHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2cc(OC)ccc2O)oc1C ZINC000751325743 680168058 /nfs/dbraw/zinc/16/80/58/680168058.db2.gz NIDLQXFWPDLANQ-SECBINFHSA-N -1 3 369.395 2.128 20 10 FECDHM COc1cc(C)cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000752628208 680252097 /nfs/dbraw/zinc/25/20/97/680252097.db2.gz ZOCPIBUOUFZJRL-UHFFFAOYSA-N -1 3 364.423 2.011 20 10 FECDHM C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769543469 680986703 /nfs/dbraw/zinc/98/67/03/680986703.db2.gz QAQDTWOGSXBQKO-AWEZNQCLSA-N -1 3 351.878 2.174 20 10 FECDHM Cn1ccnc1[C@@]([O-])(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(F)(F)F ZINC000777472684 681495621 /nfs/dbraw/zinc/49/56/21/681495621.db2.gz XPZNPIARSWTRLS-ZDUSSCGKSA-N -1 3 367.730 2.458 20 10 FECDHM Cc1cc(Br)c([O-])c(CN(C)C[C@H]2CCS(=O)(=O)C2)c1 ZINC000781906923 681988026 /nfs/dbraw/zinc/98/80/26/681988026.db2.gz ABMKBQTZJDXXGK-LLVKDONJSA-N -1 3 362.289 2.330 20 10 FECDHM Cc1cc(Br)c([O-])c(CN(C)[C@H](C)CS(C)(=O)=O)c1 ZINC000781913255 681988564 /nfs/dbraw/zinc/98/85/64/681988564.db2.gz RJNCGGLVGFOIHJ-SNVBAGLBSA-N -1 3 350.278 2.328 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](OC)[C@@H]1CCOC1 ZINC000851841868 682157647 /nfs/dbraw/zinc/15/76/47/682157647.db2.gz YPTYMHNGWFOMSX-WBMJQRKESA-N -1 3 357.834 2.072 20 10 FECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000786960039 682424651 /nfs/dbraw/zinc/42/46/51/682424651.db2.gz UXKFCQHYPBGMBC-SNVBAGLBSA-N -1 3 369.464 2.495 20 10 FECDHM O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1cccc(O)c1[O-] ZINC000790879191 682709344 /nfs/dbraw/zinc/70/93/44/682709344.db2.gz UAQXMNPACHNFEM-UHFFFAOYSA-N -1 3 353.277 2.358 20 10 FECDHM CCn1cc(Br)c(=O)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790919369 682712947 /nfs/dbraw/zinc/71/29/47/682712947.db2.gz NFAMNECQEJSRME-UHFFFAOYSA-N -1 3 353.172 2.294 20 10 FECDHM CC1(c2ccc(S(=O)(=O)NCc3c([O-])cccc3F)cc2)OCCO1 ZINC000921452440 683472963 /nfs/dbraw/zinc/47/29/63/683472963.db2.gz PGESXPHXQNKIKC-UHFFFAOYSA-N -1 3 367.398 2.229 20 10 FECDHM Cc1nc(CN2CCN(Cc3c([O-])cccc3Br)CC2)no1 ZINC000862239636 683556712 /nfs/dbraw/zinc/55/67/12/683556712.db2.gz ICOWJNBJHXBSSV-UHFFFAOYSA-N -1 3 367.247 2.164 20 10 FECDHM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCCSc1nccs1 ZINC000872449362 684951704 /nfs/dbraw/zinc/95/17/04/684951704.db2.gz JARADXMRXWIGHO-HXUWFJFHSA-N -1 3 371.575 2.356 20 10 FECDHM CCOCCCNC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893942500 689434394 /nfs/dbraw/zinc/43/43/94/689434394.db2.gz DFUDKDXBLHBDEU-UHFFFAOYSA-N -1 3 356.413 2.425 20 10 FECDHM O=S(=O)(C1CCN(Cc2cc(F)cc(F)c2[O-])CC1)N1CCCC1 ZINC000894673069 689576237 /nfs/dbraw/zinc/57/62/37/689576237.db2.gz USTFIVJXSJZTQN-UHFFFAOYSA-N -1 3 360.426 2.060 20 10 FECDHM CCc1noc(C[C@]2(O)CCCN(Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000895375497 689705465 /nfs/dbraw/zinc/70/54/65/689705465.db2.gz SNBVZGCCDYYOOF-QGZVFWFLSA-N -1 3 353.369 2.185 20 10 FECDHM O=C1NCCN1CC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000897581602 690043905 /nfs/dbraw/zinc/04/39/05/690043905.db2.gz DASVBKHNAVMWNN-UHFFFAOYSA-N -1 3 368.821 2.191 20 10 FECDHM COC(=O)C1([C@]2(O)CCCN(Cc3cc(F)cc(F)c3[O-])C2)CCC1 ZINC000897702130 690066639 /nfs/dbraw/zinc/06/66/39/690066639.db2.gz JCCUYAOBQDRRPU-SFHVURJKSA-N -1 3 355.381 2.341 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(Cn3ccnn3)CC2)c1[O-] ZINC000092098133 542844886 /nfs/dbraw/zinc/84/48/86/542844886.db2.gz MGQJUSAJCQIHCP-UHFFFAOYSA-N -1 3 351.794 2.458 20 10 FECDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(Br)ccc1[O-] ZINC000093416679 542930640 /nfs/dbraw/zinc/93/06/40/542930640.db2.gz YOEZMXWJZOCLHY-JTQLQIEISA-N -1 3 350.278 2.410 20 10 FECDHM CN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccccc1[O-] ZINC000109770399 543338883 /nfs/dbraw/zinc/33/88/83/543338883.db2.gz YUAMBZHWFDRXTE-UHFFFAOYSA-N -1 3 350.440 2.402 20 10 FECDHM COCCCN(Cc1cc(Cl)cc(C)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179606000 546985639 /nfs/dbraw/zinc/98/56/39/546985639.db2.gz JKMFFGPCLXEFDD-HNNXBMFYSA-N -1 3 361.891 2.380 20 10 FECDHM O=c1[nH]c(CN2CCN(Cc3cc(F)ccc3[O-])CC2)nc2ccccc12 ZINC000179897444 547025880 /nfs/dbraw/zinc/02/58/80/547025880.db2.gz AVMZWYHZAKJNSC-UHFFFAOYSA-N -1 3 368.412 2.086 20 10 FECDHM O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179908561 547027301 /nfs/dbraw/zinc/02/73/01/547027301.db2.gz WUUXJBCWFPIMSK-UHFFFAOYSA-N -1 3 358.369 2.218 20 10 FECDHM Cn1cccc1[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000180351894 547089476 /nfs/dbraw/zinc/08/94/76/547089476.db2.gz APBUPJYKRBAAQU-OAHLLOKOSA-N -1 3 363.439 2.080 20 10 FECDHM C[C@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187668035 548261227 /nfs/dbraw/zinc/26/12/27/548261227.db2.gz YNKZQMJEGGYJFK-LBPRGKRZSA-N -1 3 370.421 2.441 20 10 FECDHM COC(=O)c1ccc([O-])c([C@H](C)NCC(=O)NCc2ccc(OC)cc2)c1 ZINC000273362659 550495648 /nfs/dbraw/zinc/49/56/48/550495648.db2.gz DHBKTHOSZZICKL-ZDUSSCGKSA-N -1 3 372.421 2.154 20 10 FECDHM COc1ccc(CNC(=O)CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273401911 550497291 /nfs/dbraw/zinc/49/72/91/550497291.db2.gz NLBXVPFDMITOTK-GFCCVEGCSA-N -1 3 359.382 2.276 20 10 FECDHM COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)c2cccc([O-])c2)c1 ZINC000273600597 550504879 /nfs/dbraw/zinc/50/48/79/550504879.db2.gz RUDNEBKHVCBGIE-ZDUSSCGKSA-N -1 3 372.421 2.355 20 10 FECDHM C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cc(Br)ccc1[O-] ZINC000289271978 552293054 /nfs/dbraw/zinc/29/30/54/552293054.db2.gz GKXMTTJKMGAEBU-WFASDCNBSA-N -1 3 355.276 2.450 20 10 FECDHM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc2c(cc1O)OCO2 ZINC000292808357 552760381 /nfs/dbraw/zinc/76/03/81/552760381.db2.gz OJIYDNIIWQKAOF-MWLCHTKSSA-N -1 3 360.332 2.152 20 10 FECDHM COC[C@]1(C(=O)OC)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000296150803 553112991 /nfs/dbraw/zinc/11/29/91/553112991.db2.gz GTRZPXGWPUZQBP-KRWDZBQOSA-N -1 3 355.818 2.260 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]2c2ccccc2F)c1 ZINC000363597145 555144559 /nfs/dbraw/zinc/14/45/59/555144559.db2.gz KUYPIBKHCLRSNL-HNNXBMFYSA-N -1 3 364.398 2.490 20 10 FECDHM Cc1cc(Br)cc(CN2CCC[C@H](N3CCNC3=O)C2)c1[O-] ZINC000367741700 556127339 /nfs/dbraw/zinc/12/73/39/556127339.db2.gz UYNJIVYOQCVBHP-AWEZNQCLSA-N -1 3 368.275 2.453 20 10 FECDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368619620 556365267 /nfs/dbraw/zinc/36/52/67/556365267.db2.gz QPYNJMGCDNCRRS-OLZOCXBDSA-N -1 3 374.268 2.361 20 10 FECDHM COc1cccc([C@@H](NC(=O)c2cccc(O)c2[O-])c2nccn2C)c1 ZINC000375667888 558064631 /nfs/dbraw/zinc/06/46/31/558064631.db2.gz AKHALXZXNVVZRI-MRXNPFEDSA-N -1 3 353.378 2.359 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736531453 598445635 /nfs/dbraw/zinc/44/56/35/598445635.db2.gz HEEFYJVWVHUPSZ-UHFFFAOYSA-N -1 3 351.414 2.038 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736531453 598445636 /nfs/dbraw/zinc/44/56/36/598445636.db2.gz HEEFYJVWVHUPSZ-UHFFFAOYSA-N -1 3 351.414 2.038 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737105477 598769311 /nfs/dbraw/zinc/76/93/11/598769311.db2.gz HQXFLVGNVWSTFI-JTQLQIEISA-N -1 3 354.370 2.464 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737105477 598769313 /nfs/dbraw/zinc/76/93/13/598769313.db2.gz HQXFLVGNVWSTFI-JTQLQIEISA-N -1 3 354.370 2.464 20 10 FECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826401276 607465225 /nfs/dbraw/zinc/46/52/25/607465225.db2.gz ULCFBKXHJVERRJ-KXFIGUGUSA-N -1 3 356.313 2.174 20 10 FECDHM COc1ccc(N(C)CCOc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826209139 607754034 /nfs/dbraw/zinc/75/40/34/607754034.db2.gz OLUVQDYAIFMYKT-UHFFFAOYSA-N -1 3 355.398 2.399 20 10 FECDHM COc1ccc(N(C)CCOc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826209139 607754035 /nfs/dbraw/zinc/75/40/35/607754035.db2.gz OLUVQDYAIFMYKT-UHFFFAOYSA-N -1 3 355.398 2.399 20 10 FECDHM O=C([O-])N1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000831948430 605853896 /nfs/dbraw/zinc/85/38/96/605853896.db2.gz VBWINDYVEXLHEK-HUUCEWRRSA-N -1 3 353.850 2.352 20 10 FECDHM COc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1F ZINC000821831833 606633931 /nfs/dbraw/zinc/63/39/31/606633931.db2.gz OQWDHBSJXPYEOG-UHFFFAOYSA-N -1 3 372.379 2.480 20 10 FECDHM COc1ccc2c(c1)CCCN2Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826213135 609172553 /nfs/dbraw/zinc/17/25/53/609172553.db2.gz MBTBVAIUOZKWDQ-UHFFFAOYSA-N -1 3 361.409 2.476 20 10 FECDHM COc1ccc2c(c1)CCCN2Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826213135 609172554 /nfs/dbraw/zinc/17/25/54/609172554.db2.gz MBTBVAIUOZKWDQ-UHFFFAOYSA-N -1 3 361.409 2.476 20 10 FECDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc2c(cc1O)OCO2 ZINC000825632494 609475005 /nfs/dbraw/zinc/47/50/05/609475005.db2.gz UZYHPAAXHSZYCZ-UHFFFAOYSA-N -1 3 355.354 2.312 20 10 FECDHM Cc1ccnc(N(Cc2ccccc2O)C[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826309608 609583262 /nfs/dbraw/zinc/58/32/62/609583262.db2.gz VNFPUWRGYOSWMP-OAHLLOKOSA-N -1 3 366.425 2.461 20 10 FECDHM Cc1ccnc(N(Cc2ccccc2O)C[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826309608 609583264 /nfs/dbraw/zinc/58/32/64/609583264.db2.gz VNFPUWRGYOSWMP-OAHLLOKOSA-N -1 3 366.425 2.461 20 10 FECDHM Cc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1F ZINC000055160078 670347046 /nfs/dbraw/zinc/34/70/46/670347046.db2.gz QVAWDDDLWBGZIY-UHFFFAOYSA-N -1 3 352.387 2.141 20 10 FECDHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(N2CCSCC2)cc1 ZINC000056101978 670359201 /nfs/dbraw/zinc/35/92/01/670359201.db2.gz ZPBJOVXUXLKRFQ-UHFFFAOYSA-N -1 3 367.496 2.323 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC000101682783 670769822 /nfs/dbraw/zinc/76/98/22/670769822.db2.gz JJIYIXBQUWDCKI-UHFFFAOYSA-N -1 3 372.805 2.486 20 10 FECDHM CN(CCc1ccccc1F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000731838324 673344351 /nfs/dbraw/zinc/34/43/51/673344351.db2.gz YVNJGGKMJJCIEK-UHFFFAOYSA-N -1 3 366.414 2.218 20 10 FECDHM COC(=O)CN(CCOC[C@@H]1CCCO1)Cc1cc(Cl)ccc1[O-] ZINC000741253283 673677573 /nfs/dbraw/zinc/67/75/73/673677573.db2.gz UPDAZOJURHDLQS-HNNXBMFYSA-N -1 3 357.834 2.216 20 10 FECDHM C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC(F)(F)F ZINC000839850000 680783041 /nfs/dbraw/zinc/78/30/41/680783041.db2.gz NPNJFAWKBQWAIC-MRVPVSSYSA-N -1 3 354.350 2.082 20 10 FECDHM Cc1cnc([C@@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000756863027 680502439 /nfs/dbraw/zinc/50/24/39/680502439.db2.gz HJHMNZYFSZCFMO-VIFPVBQESA-N -1 3 369.468 2.062 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC=CC23CCCCC3)c1 ZINC000912478789 685380973 /nfs/dbraw/zinc/38/09/73/685380973.db2.gz RXDLBQIEJHVEDT-UHFFFAOYSA-N -1 3 350.440 2.479 20 10 FECDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1cc(F)ccc1[O-] ZINC000841892769 680916755 /nfs/dbraw/zinc/91/67/55/680916755.db2.gz VPKDEIFRPMIQAZ-ZBFHGGJFSA-N -1 3 352.406 2.351 20 10 FECDHM CC[C@H](C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000769094442 680970748 /nfs/dbraw/zinc/97/07/48/680970748.db2.gz FRFGKDBROGDNSV-QPUJVOFHSA-N -1 3 368.377 2.471 20 10 FECDHM CC(C)N(Cc1ccccn1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769706326 680992168 /nfs/dbraw/zinc/99/21/68/680992168.db2.gz QSJWJADZWPNOCH-UHFFFAOYSA-N -1 3 363.439 2.210 20 10 FECDHM CC(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccn1 ZINC000769887866 680998765 /nfs/dbraw/zinc/99/87/65/680998765.db2.gz LRVHFCNJYCGUQJ-INIZCTEOSA-N -1 3 363.439 2.286 20 10 FECDHM CC(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccn1 ZINC000769887868 680998786 /nfs/dbraw/zinc/99/87/86/680998786.db2.gz LRVHFCNJYCGUQJ-MRXNPFEDSA-N -1 3 363.439 2.286 20 10 FECDHM Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1C ZINC000771059385 681039786 /nfs/dbraw/zinc/03/97/86/681039786.db2.gz PXFTXHQXODLJFR-HNNXBMFYSA-N -1 3 362.861 2.482 20 10 FECDHM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C2=CC(=O)CS2)n[n-]1 ZINC000846642445 681270865 /nfs/dbraw/zinc/27/08/65/681270865.db2.gz JYHOCUHBOJILOM-JTQLQIEISA-N -1 3 352.416 2.266 20 10 FECDHM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C2=CC(=O)CS2)[n-]1 ZINC000846642445 681270868 /nfs/dbraw/zinc/27/08/68/681270868.db2.gz JYHOCUHBOJILOM-JTQLQIEISA-N -1 3 352.416 2.266 20 10 FECDHM O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1cccc(O)c1[O-] ZINC000776324015 681382468 /nfs/dbraw/zinc/38/24/68/681382468.db2.gz UZLNILGLZIPCFK-UHFFFAOYSA-N -1 3 352.272 2.089 20 10 FECDHM COCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000791775712 682765570 /nfs/dbraw/zinc/76/55/70/682765570.db2.gz MENIXABLLWRCKX-TZMCWYRMSA-N -1 3 370.471 2.041 20 10 FECDHM COCCc1noc(CN(C)Cc2c([O-])cccc2Br)n1 ZINC000862247602 683558449 /nfs/dbraw/zinc/55/84/49/683558449.db2.gz JSZCMKFMRJXTAG-UHFFFAOYSA-N -1 3 356.220 2.359 20 10 FECDHM CCOC(=O)C[C@@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000931910825 684368911 /nfs/dbraw/zinc/36/89/11/684368911.db2.gz ILADVSQFCWPMIB-LLVKDONJSA-N -1 3 352.284 2.215 20 10 FECDHM CC1(C)C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCS1 ZINC000888803338 688675846 /nfs/dbraw/zinc/67/58/46/688675846.db2.gz VUDOHEHLEAUBRV-NSHDSACASA-N -1 3 358.485 2.168 20 10 FECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000893699571 689388515 /nfs/dbraw/zinc/38/85/15/689388515.db2.gz OXMJHZPEUBIANC-HZPDHXFCSA-N -1 3 367.877 2.488 20 10 FECDHM CCNS(=O)(=O)c1cccc(CNCc2cc(F)cc(F)c2[O-])c1 ZINC000894984339 689634605 /nfs/dbraw/zinc/63/46/05/689634605.db2.gz XDGDJAOVZNRCOO-UHFFFAOYSA-N -1 3 356.394 2.258 20 10 FECDHM O=C(NCc1cc(Br)ccc1O)c1cnc(C2CC2)[n-]c1=O ZINC000908170971 691629404 /nfs/dbraw/zinc/62/94/04/691629404.db2.gz UWUJCVZCNWBQAN-UHFFFAOYSA-N -1 3 364.199 2.458 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000053697513 540549823 /nfs/dbraw/zinc/54/98/23/540549823.db2.gz XGTDRZKBKJKEMU-UHFFFAOYSA-N -1 3 368.405 2.280 20 10 FECDHM COC(=O)CN(CC(=O)NC1CCCC1)Cc1cc(Cl)ccc1[O-] ZINC000109779609 543338253 /nfs/dbraw/zinc/33/82/53/543338253.db2.gz AKWDACDAEVFFTF-UHFFFAOYSA-N -1 3 354.834 2.079 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccccc3O)CC2)c1[O-] ZINC000175686929 546333002 /nfs/dbraw/zinc/33/30/02/546333002.db2.gz MHIOYNQQSGLKCG-UHFFFAOYSA-N -1 3 372.396 2.398 20 10 FECDHM Cc1ccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c([O-])c1O ZINC000182535573 547509532 /nfs/dbraw/zinc/50/95/32/547509532.db2.gz SQWLLZHJSJVSSA-UHFFFAOYSA-N -1 3 350.378 2.321 20 10 FECDHM COC(=O)[C@@H]1C[C@H](OC)CN1Cc1cc(Br)cc(C)c1[O-] ZINC000245654404 548967935 /nfs/dbraw/zinc/96/79/35/548967935.db2.gz IMGUIDQAZFDJDM-STQMWFEESA-N -1 3 358.232 2.225 20 10 FECDHM Cc1cnc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000267525743 550032086 /nfs/dbraw/zinc/03/20/86/550032086.db2.gz OEDFIKRJQGTRGP-SECBINFHSA-N -1 3 355.441 2.020 20 10 FECDHM Cc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)c([O-])c1O ZINC000271286383 550360951 /nfs/dbraw/zinc/36/09/51/550360951.db2.gz PAOAZVFWWXFDFS-UHFFFAOYSA-N -1 3 361.442 2.206 20 10 FECDHM CC(C)(C)OC(=O)NCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000274956423 550567386 /nfs/dbraw/zinc/56/73/86/550567386.db2.gz JNMDLLMNSYNKID-UHFFFAOYSA-N -1 3 350.415 2.475 20 10 FECDHM O=C(Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1)N1CCSCC1 ZINC000274957021 550567635 /nfs/dbraw/zinc/56/76/35/550567635.db2.gz IQKGBRDUKFHLJA-UHFFFAOYSA-N -1 3 372.446 2.468 20 10 FECDHM CN(C)c1ccc(CN(C(=O)CNC(=O)c2cccc([O-])c2)C2CC2)cc1 ZINC000275088345 550570677 /nfs/dbraw/zinc/57/06/77/550570677.db2.gz BMVFAWGWHAJCCM-UHFFFAOYSA-N -1 3 367.449 2.379 20 10 FECDHM CC(C)(C)[S@](=O)CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277657010 550697454 /nfs/dbraw/zinc/69/74/54/550697454.db2.gz FIOORADJEOMGSZ-XMMPIXPASA-N -1 3 372.874 2.357 20 10 FECDHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279806650 550931114 /nfs/dbraw/zinc/93/11/14/550931114.db2.gz KQFRMDYNYXYTGJ-RYUDHWBXSA-N -1 3 350.415 2.473 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](n3cc(CO)nn3)C2)c1[O-] ZINC000293035205 552782781 /nfs/dbraw/zinc/78/27/81/552782781.db2.gz RWNKPRXGFVCATN-HNNXBMFYSA-N -1 3 364.833 2.169 20 10 FECDHM COc1cc(Cl)cc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)c1[O-] ZINC000360331908 554871334 /nfs/dbraw/zinc/87/13/34/554871334.db2.gz BYMCIPHDXQKVEO-OAHLLOKOSA-N -1 3 368.861 2.268 20 10 FECDHM O=C(NC1CCN(Cc2nc3ccccc3[nH]2)CC1)c1cccc(O)c1[O-] ZINC000365231331 555517584 /nfs/dbraw/zinc/51/75/84/555517584.db2.gz YWBAXFKJXXUZHU-UHFFFAOYSA-N -1 3 366.421 2.369 20 10 FECDHM Cc1nnc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000365990890 555719659 /nfs/dbraw/zinc/71/96/59/555719659.db2.gz BRMFAIUDMRRNKA-AWEZNQCLSA-N -1 3 364.833 2.060 20 10 FECDHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)c([O-])c1O ZINC000367871755 556160480 /nfs/dbraw/zinc/16/04/80/556160480.db2.gz UPXNUCYQIZMQAM-UHFFFAOYSA-N -1 3 355.394 2.292 20 10 FECDHM CCc1noc([C@H]2C[C@H](O)CN2Cc2cc(Cl)cc(OC)c2[O-])n1 ZINC000373482293 557701905 /nfs/dbraw/zinc/70/19/05/557701905.db2.gz GMLSNTLOIXXZMP-NWDGAFQWSA-N -1 3 353.806 2.308 20 10 FECDHM O=C(CCc1c[nH]cn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000373540267 557713999 /nfs/dbraw/zinc/71/39/99/557713999.db2.gz WGLLHXMDPYVNPM-MRXNPFEDSA-N -1 3 362.861 2.482 20 10 FECDHM COc1ccccc1CC1(O)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000373745681 557750189 /nfs/dbraw/zinc/75/01/89/557750189.db2.gz QGGMQNXCDIEXJF-UHFFFAOYSA-N -1 3 357.406 2.316 20 10 FECDHM COc1c([O-])c(CN2CCCC[C@@H]2C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000375712304 558071464 /nfs/dbraw/zinc/07/14/64/558071464.db2.gz RHUMBKXTEYMJND-OAHLLOKOSA-N -1 3 363.414 2.286 20 10 FECDHM CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@]2(CCCOC2)O1 ZINC000376029303 558116240 /nfs/dbraw/zinc/11/62/40/558116240.db2.gz NRNNTNUGBMVLKQ-KSSFIOAISA-N -1 3 366.414 2.469 20 10 FECDHM Cc1cc(CN2CCC(N(C)C(=O)c3ccc(C)c(O)c3[O-])CC2)on1 ZINC000376496043 558180991 /nfs/dbraw/zinc/18/09/91/558180991.db2.gz UDMMUTQXQMYIOF-UHFFFAOYSA-N -1 3 359.426 2.439 20 10 FECDHM COc1c([O-])c(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213682 558290059 /nfs/dbraw/zinc/29/00/59/558290059.db2.gz IVGDGNQSLKLHLH-PXAZEXFGSA-N -1 3 352.387 2.079 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CC3(CCOCC3)CC[C@@H]2CO)c1[O-] ZINC000528642831 562340129 /nfs/dbraw/zinc/34/01/29/562340129.db2.gz WSSUKEWFMAIBRE-MRXNPFEDSA-N -1 3 351.418 2.487 20 10 FECDHM CCOc1ccc(N(C)CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000736645467 598864883 /nfs/dbraw/zinc/86/48/83/598864883.db2.gz YHAYABONPUDCRM-UHFFFAOYSA-N -1 3 358.427 2.402 20 10 FECDHM CCOc1ccc(N(C)CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000736645467 598864884 /nfs/dbraw/zinc/86/48/84/598864884.db2.gz YHAYABONPUDCRM-UHFFFAOYSA-N -1 3 358.427 2.402 20 10 FECDHM COc1cccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1O ZINC000821868066 607284609 /nfs/dbraw/zinc/28/46/09/607284609.db2.gz NZIGDLVTXLTOGZ-UHFFFAOYSA-N -1 3 354.370 2.211 20 10 FECDHM COc1cccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1O ZINC000821868066 607284610 /nfs/dbraw/zinc/28/46/10/607284610.db2.gz NZIGDLVTXLTOGZ-UHFFFAOYSA-N -1 3 354.370 2.211 20 10 FECDHM Cc1cc(C(=O)NC[C@@H](O)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168751 607324739 /nfs/dbraw/zinc/32/47/39/607324739.db2.gz QOMRAYLJHKTIRJ-QGZVFWFLSA-N -1 3 368.441 2.021 20 10 FECDHM COc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000737098148 598234497 /nfs/dbraw/zinc/23/44/97/598234497.db2.gz CLFCEMYQTYTUSM-UHFFFAOYSA-N -1 3 354.389 2.341 20 10 FECDHM Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232907 598610721 /nfs/dbraw/zinc/61/07/21/598610721.db2.gz FLSYBEILBGNFCE-ZDUSSCGKSA-N -1 3 366.425 2.135 20 10 FECDHM Cc1cc(C(=O)Nc2ccnn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238800 598611905 /nfs/dbraw/zinc/61/19/05/598611905.db2.gz UJVXUAYPFZEZOL-UHFFFAOYSA-N -1 3 362.397 2.260 20 10 FECDHM COc1ccc(O)c(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821837941 599674809 /nfs/dbraw/zinc/67/48/09/599674809.db2.gz IALGHCGSAWXQHD-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM COc1ccc(O)c(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821837941 599674810 /nfs/dbraw/zinc/67/48/10/599674810.db2.gz IALGHCGSAWXQHD-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)c1[O-] ZINC000739778183 601914350 /nfs/dbraw/zinc/91/43/50/601914350.db2.gz AOKZNDSFYZVWFK-GFCCVEGCSA-N -1 3 358.394 2.422 20 10 FECDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](CNC(=O)[O-])C2)c1[O-] ZINC000739778183 601914352 /nfs/dbraw/zinc/91/43/52/601914352.db2.gz AOKZNDSFYZVWFK-GFCCVEGCSA-N -1 3 358.394 2.422 20 10 FECDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000834104148 605500550 /nfs/dbraw/zinc/50/05/50/605500550.db2.gz CXQYYEVFOZCAJC-SRCQZFHVSA-N -1 3 362.426 2.172 20 10 FECDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000834104148 605500556 /nfs/dbraw/zinc/50/05/56/605500556.db2.gz CXQYYEVFOZCAJC-SRCQZFHVSA-N -1 3 362.426 2.172 20 10 FECDHM COc1ccc2c(c1)CCCN2C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821849452 606919331 /nfs/dbraw/zinc/91/93/31/606919331.db2.gz JABZRUMEZBUTGX-GOSISDBHSA-N -1 3 351.410 2.362 20 10 FECDHM COc1ccc2c(c1)CCCN2C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821849452 606919333 /nfs/dbraw/zinc/91/93/33/606919333.db2.gz JABZRUMEZBUTGX-GOSISDBHSA-N -1 3 351.410 2.362 20 10 FECDHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000104927323 670797670 /nfs/dbraw/zinc/79/76/70/670797670.db2.gz XSDYBLUUTSZLNE-INIZCTEOSA-N -1 3 360.435 2.489 20 10 FECDHM Cc1cc(F)ccc1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000153058293 672192743 /nfs/dbraw/zinc/19/27/43/672192743.db2.gz VEGLUZJEEIZDPZ-UHFFFAOYSA-N -1 3 366.414 2.184 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1[O-] ZINC000750044510 680097207 /nfs/dbraw/zinc/09/72/07/680097207.db2.gz YKDZCCNGQBDXHU-IRXDYDNUSA-N -1 3 352.862 2.279 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844307072 681050032 /nfs/dbraw/zinc/05/00/32/681050032.db2.gz NMQMWWQQOKHGMJ-CQSZACIVSA-N -1 3 368.817 2.004 20 10 FECDHM C[C@@]1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@]1(F)Cl ZINC000846414299 681238120 /nfs/dbraw/zinc/23/81/20/681238120.db2.gz WWZGLEWMBDUIJV-KGLIPLIRSA-N -1 3 364.826 2.198 20 10 FECDHM CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774859071 681242347 /nfs/dbraw/zinc/24/23/47/681242347.db2.gz SCOREKRHKYYUGU-CQSZACIVSA-N -1 3 351.403 2.142 20 10 FECDHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000849416615 681723762 /nfs/dbraw/zinc/72/37/62/681723762.db2.gz TXCPGYVQPFPOJH-GFCCVEGCSA-N -1 3 367.496 2.271 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C(=O)OC(C)(C)C)c1[O-] ZINC000852239686 682246206 /nfs/dbraw/zinc/24/62/06/682246206.db2.gz RSYYXBQWKIAJCZ-OAHLLOKOSA-N -1 3 353.390 2.276 20 10 FECDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1NC(C)=O ZINC000797819442 683275686 /nfs/dbraw/zinc/27/56/86/683275686.db2.gz JJJGXNKSMCVRRA-UHFFFAOYSA-N -1 3 366.395 2.169 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccc(F)cn1 ZINC000799307821 683442068 /nfs/dbraw/zinc/44/20/68/683442068.db2.gz PQHMAPMFOUGJNF-INIZCTEOSA-N -1 3 368.792 2.288 20 10 FECDHM CC(C)C(=O)Nc1nc(CC(=O)NCc2c([O-])cccc2F)cs1 ZINC000928712260 683492686 /nfs/dbraw/zinc/49/26/86/683492686.db2.gz PQPUBXNTXKPISW-UHFFFAOYSA-N -1 3 351.403 2.441 20 10 FECDHM CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000921698588 683546860 /nfs/dbraw/zinc/54/68/60/683546860.db2.gz PXDQTXKJVWHUHU-UHFFFAOYSA-N -1 3 353.394 2.197 20 10 FECDHM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872448386 684951040 /nfs/dbraw/zinc/95/10/40/684951040.db2.gz DLSRXOYCKMFORU-JOCHJYFZSA-N -1 3 361.533 2.292 20 10 FECDHM [O-]c1c(Br)cccc1CNCc1cn(C[C@H]2CCCO2)nn1 ZINC000877478138 686386003 /nfs/dbraw/zinc/38/60/03/686386003.db2.gz BIMJQAGQMBSVQY-CYBMUJFWSA-N -1 3 367.247 2.215 20 10 FECDHM CN(C)S(=O)(=O)c1ccccc1CNCc1cc(F)cc(F)c1[O-] ZINC000882886441 687522870 /nfs/dbraw/zinc/52/28/70/687522870.db2.gz UMTLCWGFRGOPHE-UHFFFAOYSA-N -1 3 356.394 2.211 20 10 FECDHM Cn1nnnc1C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895470598 689722280 /nfs/dbraw/zinc/72/22/80/689722280.db2.gz LZDCGVIHYHACDA-UHFFFAOYSA-N -1 3 370.226 2.197 20 10 FECDHM Cn1cc(CNCc2c([O-])cccc2F)c(I)n1 ZINC000896644689 689910289 /nfs/dbraw/zinc/91/02/89/689910289.db2.gz YULJXCNBHSVGOY-UHFFFAOYSA-N -1 3 361.158 2.159 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1ncn(C)n1 ZINC000092378673 542860774 /nfs/dbraw/zinc/86/07/74/542860774.db2.gz WUTMQEOESJQQBA-UHFFFAOYSA-N -1 3 368.235 2.015 20 10 FECDHM O=C1NCCCN1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093669008 542938044 /nfs/dbraw/zinc/93/80/44/542938044.db2.gz PVWXOMXIXCPIBV-UHFFFAOYSA-N -1 3 368.821 2.334 20 10 FECDHM CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1[O-] ZINC000109772840 543338506 /nfs/dbraw/zinc/33/85/06/543338506.db2.gz KEZBLHZSHUMHSZ-UHFFFAOYSA-N -1 3 369.465 2.295 20 10 FECDHM COc1cc2nc(CN(C)Cc3ccccc3[O-])[nH]c(=O)c2cc1OC ZINC000109771882 543338728 /nfs/dbraw/zinc/33/87/28/543338728.db2.gz XHGZYMLDDGWKHI-UHFFFAOYSA-N -1 3 355.394 2.278 20 10 FECDHM COc1cc(Br)cc(CN2CCC[C@@H]2C(=O)NC2CC2)c1[O-] ZINC000179486596 546963446 /nfs/dbraw/zinc/96/34/46/546963446.db2.gz IRMXVCNTALJYTD-CYBMUJFWSA-N -1 3 369.259 2.406 20 10 FECDHM CCN(Cc1cc(Br)cc(C)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179562144 546977328 /nfs/dbraw/zinc/97/73/28/546977328.db2.gz OHNYMDWRNRIKGK-ZDUSSCGKSA-N -1 3 362.289 2.472 20 10 FECDHM Cc1cc(Br)cc(CN(CCS(C)(=O)=O)C2CC2)c1[O-] ZINC000180576388 547134302 /nfs/dbraw/zinc/13/43/02/547134302.db2.gz PDPZNYCPVZVAAP-UHFFFAOYSA-N -1 3 362.289 2.472 20 10 FECDHM COCCN(Cc1ccc(OCc2ccccc2)cc1[O-])[C@H](C)C(N)=O ZINC000183051749 547592148 /nfs/dbraw/zinc/59/21/48/547592148.db2.gz RRJYNDPJCHQVBD-OAHLLOKOSA-N -1 3 358.438 2.293 20 10 FECDHM COC(=O)c1cn(C2CCN(Cc3cccc(Cl)c3[O-])CC2)nn1 ZINC000184756364 547876089 /nfs/dbraw/zinc/87/60/89/547876089.db2.gz CXJUQQLCXDXBQM-UHFFFAOYSA-N -1 3 350.806 2.261 20 10 FECDHM C[C@@H](NCC(=O)NCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000185179055 547946633 /nfs/dbraw/zinc/94/66/33/547946633.db2.gz KKJBRSXAMAWAMV-SSDOTTSWSA-N -1 3 355.154 2.484 20 10 FECDHM [O-]c1ccccc1CN(Cc1nnnn1CC(F)(F)F)C[C@H]1CCCO1 ZINC000190985749 548337526 /nfs/dbraw/zinc/33/75/26/548337526.db2.gz SISADEPMISVKPG-CYBMUJFWSA-N -1 3 371.363 2.122 20 10 FECDHM COC(=O)CN(Cc1nc([C@H](C)OC)no1)Cc1cc(Cl)ccc1[O-] ZINC000267002576 550026803 /nfs/dbraw/zinc/02/68/03/550026803.db2.gz HYXMBMXKAZEDMK-JTQLQIEISA-N -1 3 369.805 2.311 20 10 FECDHM CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000270739340 550302578 /nfs/dbraw/zinc/30/25/78/550302578.db2.gz BZUPCZRRFJAMDT-NHYWBVRUSA-N -1 3 370.471 2.087 20 10 FECDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CCN1c1nccn2cnnc12 ZINC000271302116 550362882 /nfs/dbraw/zinc/36/28/82/550362882.db2.gz UMNKDMHZBDXVNG-LBPRGKRZSA-N -1 3 358.833 2.194 20 10 FECDHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000272536332 550456504 /nfs/dbraw/zinc/45/65/04/550456504.db2.gz OGAXXDNICMQTON-SMDDNHRTSA-N -1 3 355.818 2.281 20 10 FECDHM Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272708517 550466339 /nfs/dbraw/zinc/46/63/39/550466339.db2.gz CZGZZYSPUSAWKF-UHFFFAOYSA-N -1 3 370.405 2.439 20 10 FECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCC(=O)N(C)Cc2ccccc2)c1 ZINC000273369890 550495723 /nfs/dbraw/zinc/49/57/23/550495723.db2.gz FVHKWAMVYSTCNT-CQSZACIVSA-N -1 3 356.422 2.488 20 10 FECDHM CCOc1cc(NC2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)ncn1 ZINC000274341832 550533390 /nfs/dbraw/zinc/53/33/90/550533390.db2.gz DTQUGBJGAYXQBM-UHFFFAOYSA-N -1 3 372.425 2.312 20 10 FECDHM CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2 ZINC000278272233 550767529 /nfs/dbraw/zinc/76/75/29/550767529.db2.gz RUHSQYVFPPWIOA-CABCVRRESA-N -1 3 366.414 2.061 20 10 FECDHM COc1c([O-])c(CN2CCCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278321463 550772852 /nfs/dbraw/zinc/77/28/52/550772852.db2.gz YETJYWYDXQHFHT-UHFFFAOYSA-N -1 3 363.336 2.379 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C1CCC(O)CC1 ZINC000281560885 551113407 /nfs/dbraw/zinc/11/34/07/551113407.db2.gz LSXTXQOKRLUTBF-UHFFFAOYSA-N -1 3 355.818 2.098 20 10 FECDHM O=S1(=O)CCC[C@H](CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)C1 ZINC000283949858 551455878 /nfs/dbraw/zinc/45/58/78/551455878.db2.gz DKVRQZDUVINOMM-WBVHZDCISA-N -1 3 353.484 2.198 20 10 FECDHM COc1cc(NC(=O)CN(C)C(=O)c2ccc(C)c(O)c2[O-])cc(OC)c1 ZINC000291801901 552663181 /nfs/dbraw/zinc/66/31/81/552663181.db2.gz AFPQCLBZPZPWBF-UHFFFAOYSA-N -1 3 374.393 2.134 20 10 FECDHM [O-]c1ccc(Br)cc1CN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293581906 552837342 /nfs/dbraw/zinc/83/73/42/552837342.db2.gz HTWHEYALKMMEIR-AWEZNQCLSA-N -1 3 367.247 2.076 20 10 FECDHM COC(=O)Cn1cc(CN(Cc2ccccc2[O-])C2CCCCC2)nn1 ZINC000294512142 552912069 /nfs/dbraw/zinc/91/20/69/552912069.db2.gz DARDXPQTZSVGQF-UHFFFAOYSA-N -1 3 358.442 2.492 20 10 FECDHM O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294625845 552921607 /nfs/dbraw/zinc/92/16/07/552921607.db2.gz JLCPHIHVSKUZGA-GFCCVEGCSA-N -1 3 362.854 2.185 20 10 FECDHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCN2C ZINC000364448188 555316159 /nfs/dbraw/zinc/31/61/59/555316159.db2.gz QGOUMQPAOZHPEV-UHFFFAOYSA-N -1 3 366.464 2.006 20 10 FECDHM Cc1ccc(C(=O)NC2CCN(C(=O)c3cccc(O)c3)CC2)c([O-])c1O ZINC000364706824 555380985 /nfs/dbraw/zinc/38/09/85/555380985.db2.gz YLPRNUGITBDGBR-UHFFFAOYSA-N -1 3 370.405 2.146 20 10 FECDHM CN(C)c1ccc(C2=CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)cc1 ZINC000367523624 556073304 /nfs/dbraw/zinc/07/33/04/556073304.db2.gz DZKJCRVBSBSFEQ-UHFFFAOYSA-N -1 3 361.401 2.176 20 10 FECDHM COc1c([O-])c(CN2CCCC[C@@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000367831295 556149772 /nfs/dbraw/zinc/14/97/72/556149772.db2.gz HGLRVNYMYMARNE-CYBMUJFWSA-N -1 3 372.443 2.098 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000369140074 556514570 /nfs/dbraw/zinc/51/45/70/556514570.db2.gz OKBIRRSJVLAUTE-CYBMUJFWSA-N -1 3 352.394 2.235 20 10 FECDHM Cc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)c([O-])c1O ZINC000371675100 557259681 /nfs/dbraw/zinc/25/96/81/557259681.db2.gz JUSTYQODYDOTGH-OAHLLOKOSA-N -1 3 358.438 2.271 20 10 FECDHM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000371674495 557259925 /nfs/dbraw/zinc/25/99/25/557259925.db2.gz GUJZEHQBUGYBFQ-GFCCVEGCSA-N -1 3 358.398 2.108 20 10 FECDHM CN1CCC[C@H](N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000378357790 558537628 /nfs/dbraw/zinc/53/76/28/558537628.db2.gz XGTMUGRAENQRCS-HNNXBMFYSA-N -1 3 368.865 2.166 20 10 FECDHM Cc1ccc(C(=O)NCc2nnc3n2C[C@@H](C(F)(F)F)CC3)c([O-])c1O ZINC000378557050 558582526 /nfs/dbraw/zinc/58/25/26/558582526.db2.gz BQWDOKZUDQQSGF-VIFPVBQESA-N -1 3 370.331 2.052 20 10 FECDHM COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737105901 598923716 /nfs/dbraw/zinc/92/37/16/598923716.db2.gz MDQPMQXKOLHIOX-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105901 598923717 /nfs/dbraw/zinc/92/37/17/598923717.db2.gz MDQPMQXKOLHIOX-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000738358955 598466099 /nfs/dbraw/zinc/46/60/99/598466099.db2.gz GIGIDSRFASLMIC-UHFFFAOYSA-N -1 3 360.761 2.424 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1[O-] ZINC000738358955 598466101 /nfs/dbraw/zinc/46/61/01/598466101.db2.gz GIGIDSRFASLMIC-UHFFFAOYSA-N -1 3 360.761 2.424 20 10 FECDHM Cc1c(NNC(=S)Nc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000737219586 598538064 /nfs/dbraw/zinc/53/80/64/598538064.db2.gz SBIBASJTUSXSAO-UHFFFAOYSA-N -1 3 370.398 2.397 20 10 FECDHM Cc1c(NNC(=S)Nc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000737219586 598538066 /nfs/dbraw/zinc/53/80/66/598538066.db2.gz SBIBASJTUSXSAO-UHFFFAOYSA-N -1 3 370.398 2.397 20 10 FECDHM Cc1cc(C(=O)N2CCOC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232525 598610492 /nfs/dbraw/zinc/61/04/92/598610492.db2.gz AYEVXOAQUISXNL-CYBMUJFWSA-N -1 3 366.425 2.135 20 10 FECDHM Cc1cc(C(=O)N2CCOC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232526 598610507 /nfs/dbraw/zinc/61/05/07/598610507.db2.gz AYEVXOAQUISXNL-ZDUSSCGKSA-N -1 3 366.425 2.135 20 10 FECDHM CC[C@H](COC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736354687 599576223 /nfs/dbraw/zinc/57/62/23/599576223.db2.gz WGSQSBBWXYRFJJ-OAHLLOKOSA-N -1 3 368.441 2.429 20 10 FECDHM CN(C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)S(C)(=O)=O ZINC000809689098 674505281 /nfs/dbraw/zinc/50/52/81/674505281.db2.gz TYDLAXCIXREHJH-LLVKDONJSA-N -1 3 364.870 2.288 20 10 FECDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826442467 607709563 /nfs/dbraw/zinc/70/95/63/607709563.db2.gz WXWUIWYJNUVWTE-UHFFFAOYSA-N -1 3 351.414 2.115 20 10 FECDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826442467 607709565 /nfs/dbraw/zinc/70/95/65/607709565.db2.gz WXWUIWYJNUVWTE-UHFFFAOYSA-N -1 3 351.414 2.115 20 10 FECDHM COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000833733696 605127077 /nfs/dbraw/zinc/12/70/77/605127077.db2.gz MQKRWBJSARLDBM-SECBINFHSA-N -1 3 350.396 2.450 20 10 FECDHM O=C([O-])N1CC[C@H](N(Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)C1 ZINC000834081791 605619822 /nfs/dbraw/zinc/61/98/22/605619822.db2.gz AQYLATDILNEABH-INIZCTEOSA-N -1 3 363.433 2.379 20 10 FECDHM COc1ccc(N(C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821827901 606881826 /nfs/dbraw/zinc/88/18/26/606881826.db2.gz LZGUOBHGODZRII-UHFFFAOYSA-N -1 3 356.361 2.089 20 10 FECDHM COc1ccc(N(C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821827901 606881827 /nfs/dbraw/zinc/88/18/27/606881827.db2.gz LZGUOBHGODZRII-UHFFFAOYSA-N -1 3 356.361 2.089 20 10 FECDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000023398027 670048368 /nfs/dbraw/zinc/04/83/68/670048368.db2.gz GUOPYWOYZANUQA-UHFFFAOYSA-N -1 3 354.453 2.476 20 10 FECDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000055223974 670348051 /nfs/dbraw/zinc/34/80/51/670348051.db2.gz LFODXHDDVZHHSE-UHFFFAOYSA-N -1 3 362.451 2.471 20 10 FECDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000060733573 670388304 /nfs/dbraw/zinc/38/83/04/670388304.db2.gz YDNDGYOJIKILOM-UHFFFAOYSA-N -1 3 358.416 2.388 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000092218028 670736649 /nfs/dbraw/zinc/73/66/49/670736649.db2.gz IGKVTISHUIIDFM-CQSZACIVSA-N -1 3 355.822 2.250 20 10 FECDHM CCOC(=O)C1CCN(C(=O)CN(C)Cc2cc(Cl)ccc2[O-])CC1 ZINC000092965004 670746908 /nfs/dbraw/zinc/74/69/08/670746908.db2.gz DXRLKFVIWGZBPW-UHFFFAOYSA-N -1 3 368.861 2.279 20 10 FECDHM CC(C)N(CCS(C)(=O)=O)Cc1cccc(Br)c1[O-] ZINC000093707897 670754863 /nfs/dbraw/zinc/75/48/63/670754863.db2.gz DQLSXAAKBKXNQL-UHFFFAOYSA-N -1 3 350.278 2.410 20 10 FECDHM COC(=O)CN(Cc1nnc(C)n1C1CC1)Cc1cc(Cl)ccc1[O-] ZINC000111238242 670856548 /nfs/dbraw/zinc/85/65/48/670856548.db2.gz PDWIEOBUUGMCFX-UHFFFAOYSA-N -1 3 364.833 2.456 20 10 FECDHM COCCCN(Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000824534738 675609369 /nfs/dbraw/zinc/60/93/69/675609369.db2.gz JFWPONZJLSWBES-AWEZNQCLSA-N -1 3 361.891 2.380 20 10 FECDHM CN(C)C(=O)N[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000825278762 675644653 /nfs/dbraw/zinc/64/46/53/675644653.db2.gz IFODVVFGQHOGHK-GFCCVEGCSA-N -1 3 356.264 2.390 20 10 FECDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)c(C)cc2[O-])[C@H](C(=O)OC)C1 ZINC000825468127 675654618 /nfs/dbraw/zinc/65/46/18/675654618.db2.gz GIUCMYJZXVYGTJ-FZMZJTMJSA-N -1 3 355.818 2.281 20 10 FECDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)c(C)cc2[O-])[C@H](C(=O)OC)C1 ZINC000825468128 675654691 /nfs/dbraw/zinc/65/46/91/675654691.db2.gz GIUCMYJZXVYGTJ-RISCZKNCSA-N -1 3 355.818 2.281 20 10 FECDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cc(OC)ccc2O)s1 ZINC000751319073 680167675 /nfs/dbraw/zinc/16/76/75/680167675.db2.gz RZVPJRUFMOZJIQ-SECBINFHSA-N -1 3 371.436 2.288 20 10 FECDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2cc(OC)ccc2O)oc1C ZINC000751325745 680168008 /nfs/dbraw/zinc/16/80/08/680168008.db2.gz NIDLQXFWPDLANQ-VIFPVBQESA-N -1 3 369.395 2.128 20 10 FECDHM C[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756743916 680495846 /nfs/dbraw/zinc/49/58/46/680495846.db2.gz XOEIJORFGRUUGD-LLVKDONJSA-N -1 3 362.407 2.481 20 10 FECDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1[O-] ZINC000756776435 680497307 /nfs/dbraw/zinc/49/73/07/680497307.db2.gz PGLYEMKTAWRQEY-ISVAXAHUSA-N -1 3 358.211 2.412 20 10 FECDHM Cc1ccc(F)c(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000768331340 680944354 /nfs/dbraw/zinc/94/43/54/680944354.db2.gz FXKWDQZXKDDYRG-UHFFFAOYSA-N -1 3 366.414 2.483 20 10 FECDHM CC[C@H](C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000769094443 680970666 /nfs/dbraw/zinc/97/06/66/680970666.db2.gz FRFGKDBROGDNSV-UFBFGSQYSA-N -1 3 368.377 2.471 20 10 FECDHM CCc1cnccc1[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000773772486 681154844 /nfs/dbraw/zinc/15/48/44/681154844.db2.gz NYEJJXROTDQNFY-LLVKDONJSA-N -1 3 363.439 2.212 20 10 FECDHM COc1c([O-])c(CNc2cccc(NS(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000774928779 681251881 /nfs/dbraw/zinc/25/18/81/681251881.db2.gz KMKRKRSNUFAJHH-UHFFFAOYSA-N -1 3 367.383 2.293 20 10 FECDHM CCc1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000775390139 681303617 /nfs/dbraw/zinc/30/36/17/681303617.db2.gz FAPZDLFNRJGJOK-CYBMUJFWSA-N -1 3 364.833 2.385 20 10 FECDHM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC000790664241 682693350 /nfs/dbraw/zinc/69/33/50/682693350.db2.gz BMIOVAYGDFYDME-GFCCVEGCSA-N -1 3 350.415 2.475 20 10 FECDHM C[C@H]1C[C@@H](NCc2c([O-])ccc(Cl)c2F)C(=O)N1c1cnn(C)c1 ZINC000790970452 682717116 /nfs/dbraw/zinc/71/71/16/682717116.db2.gz JOKPFZSLLMPYTE-TVQRCGJNSA-N -1 3 352.797 2.202 20 10 FECDHM O=S(=O)(CCO)c1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000791009476 682719394 /nfs/dbraw/zinc/71/93/94/682719394.db2.gz QOVTWPMOGKAOLT-UHFFFAOYSA-N -1 3 373.833 2.241 20 10 FECDHM CC(C)(C)C(F)(F)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000856278601 682760384 /nfs/dbraw/zinc/76/03/84/682760384.db2.gz LTMYSTPLRKWLRH-UHFFFAOYSA-N -1 3 350.387 2.175 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCc2ccccc2F)c1 ZINC000794261421 682950581 /nfs/dbraw/zinc/95/05/81/682950581.db2.gz ZJCHYQOEJRCHII-UHFFFAOYSA-N -1 3 366.414 2.265 20 10 FECDHM CCOc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000919812228 683300322 /nfs/dbraw/zinc/30/03/22/683300322.db2.gz SAERREPJYQPXMS-UHFFFAOYSA-N -1 3 364.423 2.092 20 10 FECDHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928704544 683490920 /nfs/dbraw/zinc/49/09/20/683490920.db2.gz BMJBNHDXWVWXQA-CYBMUJFWSA-N -1 3 351.422 2.225 20 10 FECDHM O=S1(=O)CC[C@@H](N(Cc2c([O-])cccc2Br)C2CC2)C1 ZINC000862225392 683553194 /nfs/dbraw/zinc/55/31/94/683553194.db2.gz STRVLFKZDJFJKN-LLVKDONJSA-N -1 3 360.273 2.306 20 10 FECDHM Cc1nocc1S(=O)(=O)[N-]Cc1ccc(N2CCSCC2)cc1 ZINC000866531296 684116274 /nfs/dbraw/zinc/11/62/74/684116274.db2.gz FPGGXQFYJJZAMM-UHFFFAOYSA-N -1 3 353.469 2.015 20 10 FECDHM CN1CCN(c2cccc(C(=O)NCc3cccc(Cl)c3[O-])n2)CC1 ZINC000890759625 688962621 /nfs/dbraw/zinc/96/26/21/688962621.db2.gz FKNQPPNPXMZSTR-UHFFFAOYSA-N -1 3 360.845 2.122 20 10 FECDHM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899855159 690428862 /nfs/dbraw/zinc/42/88/62/690428862.db2.gz SPXHUIBCYAZKNW-DVOMOZLQSA-N -1 3 367.515 2.066 20 10 FECDHM COc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c([O-])c1 ZINC000047293704 540302555 /nfs/dbraw/zinc/30/25/55/540302555.db2.gz UNMRCCWTNFAKIC-UHFFFAOYSA-N -1 3 374.412 2.431 20 10 FECDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000105667572 209267562 /nfs/dbraw/zinc/26/75/62/209267562.db2.gz BJQZSLIKUSSEQI-UHFFFAOYSA-N -1 3 358.416 2.306 20 10 FECDHM CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000801452342 674128252 /nfs/dbraw/zinc/12/82/52/674128252.db2.gz HADJJHGRIOHVOL-SFHVURJKSA-N -1 3 350.415 2.475 20 10 FECDHM O=C(CCn1cccn1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000153996568 544849890 /nfs/dbraw/zinc/84/98/90/544849890.db2.gz GZNHMVMYMBCDNX-MRXNPFEDSA-N -1 3 362.861 2.413 20 10 FECDHM Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(O)c2[O-])N2CCOCC2)o1 ZINC000177663936 546663023 /nfs/dbraw/zinc/66/30/23/546663023.db2.gz FLOLPLVWSYPSGS-OAHLLOKOSA-N -1 3 360.410 2.111 20 10 FECDHM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(O)cc1[O-] ZINC000179528086 546972411 /nfs/dbraw/zinc/97/24/11/546972411.db2.gz OOYJJIWTUZLQMZ-UHFFFAOYSA-N -1 3 360.385 2.128 20 10 FECDHM C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187790331 548263929 /nfs/dbraw/zinc/26/39/29/548263929.db2.gz DNVVOXIHUPISOM-ZWNOBZJWSA-N -1 3 350.369 2.250 20 10 FECDHM [O-]c1ccccc1CN(Cc1nnnn1CC(F)(F)F)C[C@@H]1CCCO1 ZINC000190985732 548337430 /nfs/dbraw/zinc/33/74/30/548337430.db2.gz SISADEPMISVKPG-ZDUSSCGKSA-N -1 3 371.363 2.122 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000246225780 549083650 /nfs/dbraw/zinc/08/36/50/549083650.db2.gz DOGWBWHHWOAPOJ-QGPMSJSTSA-N -1 3 372.446 2.079 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCN(C[C@@H]3CCOC3)CC2)c1[O-] ZINC000267366024 550030540 /nfs/dbraw/zinc/03/05/40/550030540.db2.gz JHLZPOMUYHRUIC-AWEZNQCLSA-N -1 3 352.862 2.402 20 10 FECDHM CNC(=O)[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])c2ccccc2O1 ZINC000267470601 550032057 /nfs/dbraw/zinc/03/20/57/550032057.db2.gz XJZFAEDGRMHHFI-QGZVFWFLSA-N -1 3 358.369 2.248 20 10 FECDHM CC[N@H+](CCCOC(=O)N=C(N)[O-])Cc1cc(Br)ccc1[O-] ZINC000271371794 550369803 /nfs/dbraw/zinc/36/98/03/550369803.db2.gz NFMCOSIFRCVJJH-UHFFFAOYSA-N -1 3 374.235 2.172 20 10 FECDHM CC[N@@H+](CCCOC(=O)N=C(N)[O-])Cc1cc(Br)ccc1[O-] ZINC000271371794 550369806 /nfs/dbraw/zinc/36/98/06/550369806.db2.gz NFMCOSIFRCVJJH-UHFFFAOYSA-N -1 3 374.235 2.172 20 10 FECDHM CC[N@H+](CCCOC([O-])=NC(N)=O)Cc1cc(Br)ccc1[O-] ZINC000271371794 550369808 /nfs/dbraw/zinc/36/98/08/550369808.db2.gz NFMCOSIFRCVJJH-UHFFFAOYSA-N -1 3 374.235 2.172 20 10 FECDHM CC[N@@H+](CCCOC([O-])=NC(N)=O)Cc1cc(Br)ccc1[O-] ZINC000271371794 550369810 /nfs/dbraw/zinc/36/98/10/550369810.db2.gz NFMCOSIFRCVJJH-UHFFFAOYSA-N -1 3 374.235 2.172 20 10 FECDHM NC(=O)C1CCN(c2ccccc2NC(=O)c2cccc(O)c2[O-])CC1 ZINC000274990313 550570119 /nfs/dbraw/zinc/57/01/19/550570119.db2.gz RMZWZRWBYDGHTN-UHFFFAOYSA-N -1 3 355.394 2.052 20 10 FECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000279413475 550887539 /nfs/dbraw/zinc/88/75/39/550887539.db2.gz XLBXPXYSWMQLRC-DGCLKSJQSA-N -1 3 350.415 2.473 20 10 FECDHM COC[C@@H]([C@H]1CCCO1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000280020292 550953360 /nfs/dbraw/zinc/95/33/60/550953360.db2.gz HJXUHCCYBSAPKY-DZGCQCFKSA-N -1 3 368.817 2.004 20 10 FECDHM C[C@@H]1COCC[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286409670 551884479 /nfs/dbraw/zinc/88/44/79/551884479.db2.gz RQSQEGNJBQKNRU-NEPJUHHUSA-N -1 3 352.818 2.482 20 10 FECDHM CN(C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)S(C)(=O)=O ZINC000295442720 553007451 /nfs/dbraw/zinc/00/74/51/553007451.db2.gz UPJFNLZRCKULCB-UHFFFAOYSA-N -1 3 350.843 2.041 20 10 FECDHM COc1ccccc1[C@H](NC(=O)c1cccc(O)c1[O-])c1noc(C)n1 ZINC000366170941 555771429 /nfs/dbraw/zinc/77/14/29/555771429.db2.gz LSSDYARTZZGOIQ-HNNXBMFYSA-N -1 3 355.350 2.317 20 10 FECDHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@H]1Cc1nc2ccccc2o1 ZINC000368050753 556204891 /nfs/dbraw/zinc/20/48/91/556204891.db2.gz HNFLRHLUYDLMPY-HNNXBMFYSA-N -1 3 355.369 2.216 20 10 FECDHM Cc1cc(Br)cc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1[O-] ZINC000369721878 556677870 /nfs/dbraw/zinc/67/78/70/556677870.db2.gz PANDCVBATCXRBW-MFKMUULPSA-N -1 3 355.232 2.393 20 10 FECDHM COCc1nc([C@H]2COCCN2Cc2cc(Cl)cc(C)c2[O-])no1 ZINC000376162523 558135504 /nfs/dbraw/zinc/13/55/04/558135504.db2.gz MMDDABPKADQPKJ-CYBMUJFWSA-N -1 3 353.806 2.457 20 10 FECDHM NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000809728679 674507574 /nfs/dbraw/zinc/50/75/74/674507574.db2.gz FJPMBEHYNNMHQU-GOSISDBHSA-N -1 3 359.857 2.390 20 10 FECDHM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825416501 607687505 /nfs/dbraw/zinc/68/75/05/607687505.db2.gz JLEWJRXOYCUYHJ-UHFFFAOYSA-N -1 3 353.430 2.313 20 10 FECDHM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825416501 607687506 /nfs/dbraw/zinc/68/75/06/607687506.db2.gz JLEWJRXOYCUYHJ-UHFFFAOYSA-N -1 3 353.430 2.313 20 10 FECDHM O=[N+]([O-])c1ccc([O-])c(C[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826499161 607706795 /nfs/dbraw/zinc/70/67/95/607706795.db2.gz YHNJANOTFVKUQW-UHFFFAOYSA-N -1 3 352.354 2.259 20 10 FECDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000834104150 605501194 /nfs/dbraw/zinc/50/11/94/605501194.db2.gz CXQYYEVFOZCAJC-VMGRFDJRSA-N -1 3 362.426 2.172 20 10 FECDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000834104150 605501197 /nfs/dbraw/zinc/50/11/97/605501197.db2.gz CXQYYEVFOZCAJC-VMGRFDJRSA-N -1 3 362.426 2.172 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821837793 606596102 /nfs/dbraw/zinc/59/61/02/606596102.db2.gz HPTNEGPYGWFKTK-NSHDSACASA-N -1 3 353.382 2.001 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821837793 606596104 /nfs/dbraw/zinc/59/61/04/606596104.db2.gz HPTNEGPYGWFKTK-NSHDSACASA-N -1 3 353.382 2.001 20 10 FECDHM Cc1cc(C(=O)N(C)CC[C@@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167724 606798588 /nfs/dbraw/zinc/79/85/88/606798588.db2.gz GQJNWUMDCRIXDO-CYBMUJFWSA-N -1 3 368.441 2.117 20 10 FECDHM CCN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)c(OC)c1 ZINC000821169877 606921312 /nfs/dbraw/zinc/92/13/12/606921312.db2.gz HKRHFMMHRQFNQV-MRXNPFEDSA-N -1 3 369.425 2.444 20 10 FECDHM CCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)c(OC)c1 ZINC000821169877 606921314 /nfs/dbraw/zinc/92/13/14/606921314.db2.gz HKRHFMMHRQFNQV-MRXNPFEDSA-N -1 3 369.425 2.444 20 10 FECDHM COc1ccc(O)c(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826210026 609292327 /nfs/dbraw/zinc/29/23/27/609292327.db2.gz BBDGPXZHYXYEPU-UHFFFAOYSA-N -1 3 359.773 2.164 20 10 FECDHM COc1ccc(O)c(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826210026 609292329 /nfs/dbraw/zinc/29/23/29/609292329.db2.gz BBDGPXZHYXYEPU-UHFFFAOYSA-N -1 3 359.773 2.164 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000067594088 670459541 /nfs/dbraw/zinc/45/95/41/670459541.db2.gz DPGLXFKFMWJZBR-UKRRQHHQSA-N -1 3 364.398 2.189 20 10 FECDHM CCCS(=O)(=O)NC1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079399493 670604662 /nfs/dbraw/zinc/60/46/62/670604662.db2.gz NRQAQYZPPFOZHQ-UHFFFAOYSA-N -1 3 372.462 2.028 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000106920874 670815519 /nfs/dbraw/zinc/81/55/19/670815519.db2.gz ZKVXJJMFJRTVJG-OAHLLOKOSA-N -1 3 364.398 2.320 20 10 FECDHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743641930 673766849 /nfs/dbraw/zinc/76/68/49/673766849.db2.gz KUGIXWMENMGGEE-AEFFLSMTSA-N -1 3 360.435 2.224 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000743711857 673770024 /nfs/dbraw/zinc/77/00/24/673770024.db2.gz DCURYDJQLMJJKP-JHJVBQTASA-N -1 3 352.456 2.462 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC3(CCC3)S(=O)(=O)CC2)c1[O-] ZINC000839657200 680769434 /nfs/dbraw/zinc/76/94/34/680769434.db2.gz HVPPYQDUCQASGI-UHFFFAOYSA-N -1 3 355.431 2.277 20 10 FECDHM CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769774444 680994505 /nfs/dbraw/zinc/99/45/05/680994505.db2.gz DQETVSMXGUWZFI-AWEZNQCLSA-N -1 3 370.471 2.185 20 10 FECDHM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769994346 681002483 /nfs/dbraw/zinc/00/24/83/681002483.db2.gz SIQFXLPQIOEAHH-NSHDSACASA-N -1 3 364.423 2.303 20 10 FECDHM CC(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000787699835 682473717 /nfs/dbraw/zinc/47/37/17/682473717.db2.gz HVUDBBZTKMDDJA-NSHDSACASA-N -1 3 354.350 2.080 20 10 FECDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000792532948 682818889 /nfs/dbraw/zinc/81/88/89/682818889.db2.gz GBEOIJFZRANWFY-KCJUWKMLSA-N -1 3 366.361 2.177 20 10 FECDHM CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000860196840 683214613 /nfs/dbraw/zinc/21/46/13/683214613.db2.gz KXIWBFJCZRQOSI-LBPRGKRZSA-N -1 3 374.890 2.009 20 10 FECDHM CCN(Cc1c([O-])cccc1Br)[C@H](C)CS(C)(=O)=O ZINC000862245457 683558056 /nfs/dbraw/zinc/55/80/56/683558056.db2.gz PFZYYSPLEOJJEJ-SNVBAGLBSA-N -1 3 350.278 2.410 20 10 FECDHM C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)NCc3c([O-])cccc3F)O2)[C@H]1C ZINC000924049039 684395516 /nfs/dbraw/zinc/39/55/16/684395516.db2.gz DEDYZTNJVIBECG-PAKFGRKTSA-N -1 3 352.406 2.303 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCNC(=O)CC23CCOCC3)c1[O-] ZINC000872286751 684934971 /nfs/dbraw/zinc/93/49/71/684934971.db2.gz QKNIHGLPFOIJGU-UHFFFAOYSA-N -1 3 366.845 2.119 20 10 FECDHM C[C@@H]1CC[C@@H](C)N1CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911359619 685202463 /nfs/dbraw/zinc/20/24/63/685202463.db2.gz DCRNICHFBPZDOW-VXGBXAGGSA-N -1 3 354.834 2.332 20 10 FECDHM O=S(=O)(c1ccnc(NCc2c([O-])cccc2F)c1)N1CCCC1 ZINC000895832902 689777742 /nfs/dbraw/zinc/77/77/42/689777742.db2.gz PVZSQFVSYOQUIA-UHFFFAOYSA-N -1 3 351.403 2.323 20 10 FECDHM O=S1(=O)CC[C@@H](N(Cc2ccc(Br)cc2[O-])C2CC2)C1 ZINC000824568013 675611063 /nfs/dbraw/zinc/61/10/63/675611063.db2.gz YNCVLVHEUZQEFS-CYBMUJFWSA-N -1 3 360.273 2.306 20 10 FECDHM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055258900 540641331 /nfs/dbraw/zinc/64/13/31/540641331.db2.gz KAPHHFBHVLKLOT-MLGOLLRUSA-N -1 3 370.471 2.089 20 10 FECDHM CCCN(CC(=O)Nc1c(C(=O)OCC)cnn1C)Cc1ccccc1[O-] ZINC000067117184 541419219 /nfs/dbraw/zinc/41/92/19/541419219.db2.gz BOVCWOQZOFYNDH-UHFFFAOYSA-N -1 3 374.441 2.153 20 10 FECDHM C[C@@H]1C[C@@H](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)O1 ZINC000802196028 674168182 /nfs/dbraw/zinc/16/81/82/674168182.db2.gz ZBSRRIZTTSDVTF-CLLJXQQHSA-N -1 3 370.471 2.087 20 10 FECDHM CN(CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccccc1[O-] ZINC000111235674 543388532 /nfs/dbraw/zinc/38/85/32/543388532.db2.gz MDFLNQGUVGULSH-UHFFFAOYSA-N -1 3 359.495 2.230 20 10 FECDHM CCCN(Cc1cccc(Br)c1[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000802656321 674190283 /nfs/dbraw/zinc/19/02/83/674190283.db2.gz NRSNULIQZXXDQS-GFCCVEGCSA-N -1 3 355.232 2.124 20 10 FECDHM COCCOCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134260046 544300423 /nfs/dbraw/zinc/30/04/23/544300423.db2.gz ZLBMUYMYLWGJAR-MRXNPFEDSA-N -1 3 370.877 2.179 20 10 FECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1F ZINC000182135651 547443224 /nfs/dbraw/zinc/44/32/24/547443224.db2.gz NLQWTWAZNHXWFA-UHFFFAOYSA-N -1 3 372.396 2.452 20 10 FECDHM CCCn1cc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cn1 ZINC000183598857 547687147 /nfs/dbraw/zinc/68/71/47/547687147.db2.gz XKHXHNONKHFOMT-UHFFFAOYSA-N -1 3 365.817 2.468 20 10 FECDHM CCc1nc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cs1 ZINC000264972357 550004312 /nfs/dbraw/zinc/00/43/12/550004312.db2.gz YNLPSEVPHSFBQD-SECBINFHSA-N -1 3 369.468 2.274 20 10 FECDHM Cc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c([O-])c1C ZINC000271271520 550359590 /nfs/dbraw/zinc/35/95/90/550359590.db2.gz OLGLUJDAQAJICZ-UHFFFAOYSA-N -1 3 374.462 2.496 20 10 FECDHM CO[C@]1(C)C[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000271468543 550377819 /nfs/dbraw/zinc/37/78/19/550377819.db2.gz ZWFRXRNPEFPUGN-RHSMWYFYSA-N -1 3 370.471 2.039 20 10 FECDHM CCOC(=O)C1(O)CCN(Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000271776414 550401042 /nfs/dbraw/zinc/40/10/42/550401042.db2.gz HDFCXBSHBMEGAP-UHFFFAOYSA-N -1 3 372.259 2.353 20 10 FECDHM Cc1csc([C@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000273372533 550496227 /nfs/dbraw/zinc/49/62/27/550496227.db2.gz GIBYOCYRSISNGZ-SECBINFHSA-N -1 3 369.468 2.062 20 10 FECDHM COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000273547581 550502523 /nfs/dbraw/zinc/50/25/23/550502523.db2.gz URIGQCQMRAOTAG-AEFFLSMTSA-N -1 3 357.406 2.079 20 10 FECDHM COc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1[O-] ZINC000276156384 550577231 /nfs/dbraw/zinc/57/72/31/550577231.db2.gz FYLQUCFTDOJKMU-UHFFFAOYSA-N -1 3 360.385 2.307 20 10 FECDHM COc1ccc([C@H](CO)N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278166055 550756473 /nfs/dbraw/zinc/75/64/73/550756473.db2.gz FFBXJALPOKXCNA-INIZCTEOSA-N -1 3 362.382 2.483 20 10 FECDHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279806642 550931093 /nfs/dbraw/zinc/93/10/93/550931093.db2.gz KQFRMDYNYXYTGJ-NWDGAFQWSA-N -1 3 350.415 2.473 20 10 FECDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC000289563278 552341405 /nfs/dbraw/zinc/34/14/05/552341405.db2.gz SWNMHNDOBNGSTM-UHFFFAOYSA-N -1 3 366.439 2.228 20 10 FECDHM C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289791953 552379299 /nfs/dbraw/zinc/37/92/99/552379299.db2.gz SAVUUWDFMCOWKP-RISCZKNCSA-N -1 3 355.822 2.249 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000293458699 552825815 /nfs/dbraw/zinc/82/58/15/552825815.db2.gz SNTYWIQVQXWCDJ-GWCFXTLKSA-N -1 3 369.259 2.418 20 10 FECDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]2CCC[C@@H]21 ZINC000294855873 552939159 /nfs/dbraw/zinc/93/91/59/552939159.db2.gz SHXYQZYARNVCQO-UONOGXRCSA-N -1 3 352.456 2.414 20 10 FECDHM CCS(=O)(=O)N(C)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295506389 553018132 /nfs/dbraw/zinc/01/81/32/553018132.db2.gz YVMOMRPZXIQCCM-UHFFFAOYSA-N -1 3 364.870 2.431 20 10 FECDHM CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000296639494 553191445 /nfs/dbraw/zinc/19/14/45/553191445.db2.gz XZCWCXUFQVHMMI-FNODVLLQSA-N -1 3 357.447 2.369 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@]1(C)CNC(=O)C1 ZINC000364206033 555269517 /nfs/dbraw/zinc/26/95/17/555269517.db2.gz LMZZJMGZJDBHCH-OAHLLOKOSA-N -1 3 355.232 2.029 20 10 FECDHM COc1c([O-])c(CN2CCC(NC(=O)c3ccc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000365825354 555676142 /nfs/dbraw/zinc/67/61/42/555676142.db2.gz NTFNOYQZGPIGCF-UHFFFAOYSA-N -1 3 374.397 2.032 20 10 FECDHM COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@H]1c1ccccc1 ZINC000366893585 555961977 /nfs/dbraw/zinc/96/19/77/555961977.db2.gz QIAWEEVLWHIGPU-JKSUJKDBSA-N -1 3 355.390 2.435 20 10 FECDHM O=C1CCN(CN[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000369917933 556729748 /nfs/dbraw/zinc/72/97/48/556729748.db2.gz FXUBTBFLRIZOPW-INIZCTEOSA-N -1 3 351.878 2.222 20 10 FECDHM O=S1(=O)CCN(Cc2cc3c(cc2[O-])OCO3)[C@@H](c2ccccc2)C1 ZINC000370230724 556817392 /nfs/dbraw/zinc/81/73/92/556817392.db2.gz OHTNDGMRAOEWJD-OAHLLOKOSA-N -1 3 361.419 2.093 20 10 FECDHM CCn1cnnc1C1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000375726615 558073478 /nfs/dbraw/zinc/07/34/78/558073478.db2.gz XBIBRBZXJMBNQP-UHFFFAOYSA-N -1 3 361.402 2.300 20 10 FECDHM CNC(=O)NC[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000530104770 562398433 /nfs/dbraw/zinc/39/84/33/562398433.db2.gz OVVVBEWZMFDJPE-AWEZNQCLSA-N -1 3 369.421 2.421 20 10 FECDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1ccccc1O ZINC000735660537 598280662 /nfs/dbraw/zinc/28/06/62/598280662.db2.gz CQQOTCBCXGGVAQ-UHFFFAOYSA-N -1 3 355.402 2.451 20 10 FECDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1ccccc1O ZINC000735660537 598280663 /nfs/dbraw/zinc/28/06/63/598280663.db2.gz CQQOTCBCXGGVAQ-UHFFFAOYSA-N -1 3 355.402 2.451 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737106590 598779227 /nfs/dbraw/zinc/77/92/27/598779227.db2.gz VLQSIFQOZHRLHV-GFCCVEGCSA-N -1 3 367.409 2.391 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106590 598779229 /nfs/dbraw/zinc/77/92/29/598779229.db2.gz VLQSIFQOZHRLHV-GFCCVEGCSA-N -1 3 367.409 2.391 20 10 FECDHM COc1ccc(O)c([C@H](C)NCC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000833733622 605127176 /nfs/dbraw/zinc/12/71/76/605127176.db2.gz LNAQHPSLKOKZAZ-LBPRGKRZSA-N -1 3 358.394 2.413 20 10 FECDHM O=C(COc1ccc(N2CCCC2)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823040155 606617207 /nfs/dbraw/zinc/61/72/07/606617207.db2.gz DPEICAYAQVBELE-UHFFFAOYSA-N -1 3 364.409 2.484 20 10 FECDHM O=C(COc1ccc(N2CCCC2)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823040155 606617209 /nfs/dbraw/zinc/61/72/09/606617209.db2.gz DPEICAYAQVBELE-UHFFFAOYSA-N -1 3 364.409 2.484 20 10 FECDHM COc1ccc(-c2nnn[n-]2)cc1CN1CCOc2cc(N(C)C)ccc21 ZINC000826183504 608418155 /nfs/dbraw/zinc/41/81/55/608418155.db2.gz RBJRUDSBXZEBKF-UHFFFAOYSA-N -1 3 366.425 2.340 20 10 FECDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCOc2cc(N(C)C)ccc21 ZINC000826183504 608418157 /nfs/dbraw/zinc/41/81/57/608418157.db2.gz RBJRUDSBXZEBKF-UHFFFAOYSA-N -1 3 366.425 2.340 20 10 FECDHM COC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736967666 608824364 /nfs/dbraw/zinc/82/43/64/608824364.db2.gz CCODSPWBYMRNGH-LLVKDONJSA-N -1 3 354.414 2.039 20 10 FECDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825966319 609191150 /nfs/dbraw/zinc/19/11/50/609191150.db2.gz XUYDGNCRUMYANC-UHFFFAOYSA-N -1 3 365.441 2.457 20 10 FECDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825966319 609191152 /nfs/dbraw/zinc/19/11/52/609191152.db2.gz XUYDGNCRUMYANC-UHFFFAOYSA-N -1 3 365.441 2.457 20 10 FECDHM COC(=O)CN(CC(=O)N1CCCCCC1)Cc1cc(Cl)ccc1[O-] ZINC000111238355 670856625 /nfs/dbraw/zinc/85/66/25/670856625.db2.gz UEMAALFKPQSQJV-UHFFFAOYSA-N -1 3 368.861 2.423 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2cc(F)cc(F)c2)c1 ZINC000133318226 672109225 /nfs/dbraw/zinc/10/92/25/672109225.db2.gz FCFWVZWVULDNHZ-UHFFFAOYSA-N -1 3 370.377 2.014 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCC3(CNC(=O)N3C)CC2)c1[O-] ZINC000823654839 675565480 /nfs/dbraw/zinc/56/54/80/675565480.db2.gz FBTWGQIWAPYEGG-UHFFFAOYSA-N -1 3 351.834 2.238 20 10 FECDHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(Br)cc1[O-] ZINC000824819843 675623160 /nfs/dbraw/zinc/62/31/60/675623160.db2.gz UXBJOMGPELTLIT-UWVGGRQHSA-N -1 3 350.278 2.408 20 10 FECDHM COCc1noc(CN2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)n1 ZINC000825621118 675661359 /nfs/dbraw/zinc/66/13/59/675661359.db2.gz JCLSMQDAXLWXNP-UHFFFAOYSA-N -1 3 366.849 2.201 20 10 FECDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000763576677 680786290 /nfs/dbraw/zinc/78/62/90/680786290.db2.gz AEGMBFSGNBNNNI-UHFFFAOYSA-N -1 3 367.496 2.021 20 10 FECDHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000751319040 680167708 /nfs/dbraw/zinc/16/77/08/680167708.db2.gz RFJBXMZJKFKFRU-VIFPVBQESA-N -1 3 371.436 2.288 20 10 FECDHM CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756758394 680496795 /nfs/dbraw/zinc/49/67/95/680496795.db2.gz DURLSOCROJKVEU-MFKMUULPSA-N -1 3 357.432 2.093 20 10 FECDHM COc1cc(C)ccc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000758325622 680570365 /nfs/dbraw/zinc/57/03/65/680570365.db2.gz XIWXDTJCKKQHIF-UHFFFAOYSA-N -1 3 364.423 2.011 20 10 FECDHM C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncc(C(=O)[O-])s1 ZINC000843306547 680997325 /nfs/dbraw/zinc/99/73/25/680997325.db2.gz UJHXZGSCXRPDAI-CYBMUJFWSA-N -1 3 360.483 2.444 20 10 FECDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nccs1 ZINC000769902908 680999733 /nfs/dbraw/zinc/99/97/33/680999733.db2.gz OJDHHGKUGOGHJA-NSHDSACASA-N -1 3 355.441 2.101 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2cccnc2)C2CC2)c1 ZINC000770134881 681006909 /nfs/dbraw/zinc/00/69/09/681006909.db2.gz WAPWOVHFTCPLBU-MRXNPFEDSA-N -1 3 361.423 2.040 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(Cn3cnnc3)CC2)c1[O-] ZINC000846055741 681177353 /nfs/dbraw/zinc/17/73/53/681177353.db2.gz KHGNCAHXVDIXCI-UHFFFAOYSA-N -1 3 351.794 2.458 20 10 FECDHM Cn1ccnc1[C@]([O-])(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C(F)(F)F ZINC000777472683 681495796 /nfs/dbraw/zinc/49/57/96/681495796.db2.gz XPZNPIARSWTRLS-CYBMUJFWSA-N -1 3 367.730 2.458 20 10 FECDHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000917904618 685535595 /nfs/dbraw/zinc/53/55/95/685535595.db2.gz ZNEJCHOIWDLONA-LLVKDONJSA-N -1 3 353.394 2.340 20 10 FECDHM CC(=O)c1cc(F)cc(CN[C@]2(C(=O)OC(C)(C)C)CCOC2)c1[O-] ZINC000852492351 682289574 /nfs/dbraw/zinc/28/95/74/682289574.db2.gz PCOQUBSMYYYIEC-GOSISDBHSA-N -1 3 353.390 2.324 20 10 FECDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(Cl)cn1 ZINC000788606427 682542308 /nfs/dbraw/zinc/54/23/08/682542308.db2.gz GJDYBLXMNRIKQY-VIFPVBQESA-N -1 3 369.830 2.303 20 10 FECDHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)c1cccc(O)c1[O-] ZINC000790566421 682685625 /nfs/dbraw/zinc/68/56/25/682685625.db2.gz YROSCFZXSKNKKX-UHFFFAOYSA-N -1 3 366.370 2.029 20 10 FECDHM O=C(CSc1nnnn1C1CCCC1)NCc1c([O-])cccc1F ZINC000928710219 683491736 /nfs/dbraw/zinc/49/17/36/683491736.db2.gz QHXRLCWSTNJRRF-UHFFFAOYSA-N -1 3 351.407 2.041 20 10 FECDHM O=C(CS(=O)(=O)CCCc1ccccc1)NCc1c([O-])cccc1F ZINC000928712559 683492743 /nfs/dbraw/zinc/49/27/43/683492743.db2.gz SRUPWNNQDBXKTR-UHFFFAOYSA-N -1 3 365.426 2.195 20 10 FECDHM CCC(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])(C1CC1)C1CC1 ZINC000862686326 683621123 /nfs/dbraw/zinc/62/11/23/683621123.db2.gz PUOXIDIQEZIGBH-UHFFFAOYSA-N -1 3 352.456 2.462 20 10 FECDHM CN(C)c1cc(F)c(CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1F ZINC000864511902 683863106 /nfs/dbraw/zinc/86/31/06/683863106.db2.gz QPUINXMLAKFBMM-ZDUSSCGKSA-N -1 3 358.385 2.305 20 10 FECDHM COC(=O)C1=NO[C@]2(CCN(Cc3cccc(Br)c3[O-])C2)C1 ZINC000877714702 686443667 /nfs/dbraw/zinc/44/36/67/686443667.db2.gz QFBMGKRPRXXFBL-OAHLLOKOSA-N -1 3 369.215 2.049 20 10 FECDHM Cc1cc([O-])c(CN2CCn3c(nnc3-c3cn(C)cn3)C2)c(Cl)c1 ZINC000877739678 686447733 /nfs/dbraw/zinc/44/77/33/686447733.db2.gz GIZNDNKLDFRHJZ-UHFFFAOYSA-N -1 3 358.833 2.362 20 10 FECDHM CNS(=O)(=O)c1cccc([C@@H](C)NCc2cc(F)cc(F)c2[O-])c1 ZINC000882967445 687536264 /nfs/dbraw/zinc/53/62/64/687536264.db2.gz HFVFAESCTNMFCL-SNVBAGLBSA-N -1 3 356.394 2.429 20 10 FECDHM COc1c([O-])c(CN2CC[C@](CO)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895837957 689778322 /nfs/dbraw/zinc/77/83/22/689778322.db2.gz YTOFQKHEDGIXTO-ZDUSSCGKSA-N -1 3 350.293 2.056 20 10 FECDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000023398198 539714065 /nfs/dbraw/zinc/71/40/65/539714065.db2.gz RFJFJCZQFHDUBY-UHFFFAOYSA-N -1 3 366.464 2.348 20 10 FECDHM CC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])Cc2ccccc2C1 ZINC000091701069 542820718 /nfs/dbraw/zinc/82/07/18/542820718.db2.gz YTRLDUYAYBQISF-UHFFFAOYSA-N -1 3 360.435 2.051 20 10 FECDHM CC(=O)c1cc(F)cc(CN[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1[O-] ZINC000120842536 543685108 /nfs/dbraw/zinc/68/51/08/543685108.db2.gz WTNBHKDHOLYZIB-CYBMUJFWSA-N -1 3 374.376 2.389 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(C(=O)NC)CC1 ZINC000121007314 543687831 /nfs/dbraw/zinc/68/78/31/543687831.db2.gz NUJVKPMMHRAKCV-UHFFFAOYSA-N -1 3 355.232 2.029 20 10 FECDHM C=CC(=O)NCCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000119623438 543669801 /nfs/dbraw/zinc/66/98/01/543669801.db2.gz PVAOVFRTMXZWAP-UHFFFAOYSA-N -1 3 355.232 2.196 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)C(=O)N(C)C ZINC000173977947 546289298 /nfs/dbraw/zinc/28/92/98/546289298.db2.gz UMMFEXAHQJLSPJ-JTQLQIEISA-N -1 3 372.263 2.163 20 10 FECDHM COc1cc(Br)cc(CN2CCC[C@H]2C(=O)NC2CC2)c1[O-] ZINC000179486612 546963770 /nfs/dbraw/zinc/96/37/70/546963770.db2.gz IRMXVCNTALJYTD-ZDUSSCGKSA-N -1 3 369.259 2.406 20 10 FECDHM O=C([C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)N1CCOCC1 ZINC000191206439 548341337 /nfs/dbraw/zinc/34/13/37/548341337.db2.gz BMGFPNSPPQYSOA-LBPRGKRZSA-N -1 3 356.825 2.256 20 10 FECDHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000267513371 550032336 /nfs/dbraw/zinc/03/23/36/550032336.db2.gz CQELYVKZHGIHHA-UHFFFAOYSA-N -1 3 367.496 2.075 20 10 FECDHM Cc1ccc(C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)c([O-])c1O ZINC000267619959 550033691 /nfs/dbraw/zinc/03/36/91/550033691.db2.gz UKIYCXSBLQCMDU-UHFFFAOYSA-N -1 3 369.421 2.360 20 10 FECDHM Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000271227878 550355390 /nfs/dbraw/zinc/35/53/90/550355390.db2.gz ADZPQXVMJJPUMG-LBPRGKRZSA-N -1 3 350.415 2.488 20 10 FECDHM CC[C@H](c1ccncc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271393822 550371920 /nfs/dbraw/zinc/37/19/20/550371920.db2.gz MKVZYOYEEUTQLU-OAHLLOKOSA-N -1 3 363.439 2.382 20 10 FECDHM CCCOc1ccc(CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)c([O-])c1 ZINC000272523053 550455732 /nfs/dbraw/zinc/45/57/32/550455732.db2.gz LSAGRGFUGPDEOH-BBRMVZONSA-N -1 3 365.426 2.108 20 10 FECDHM Cc1ccc(C(=O)N2CCC(c3nnc4n3CCCC4)CC2)c([O-])c1O ZINC000274761086 550552563 /nfs/dbraw/zinc/55/25/63/550552563.db2.gz OTPBJBDOLZRHDM-UHFFFAOYSA-N -1 3 356.426 2.354 20 10 FECDHM COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000276669900 550583538 /nfs/dbraw/zinc/58/35/38/550583538.db2.gz URIGQCQMRAOTAG-WMZOPIPTSA-N -1 3 357.406 2.079 20 10 FECDHM COc1c([O-])c(CN2CCN(c3nc(C)cs3)CC2)ccc1[N+](=O)[O-] ZINC000278155750 550754981 /nfs/dbraw/zinc/75/49/81/550754981.db2.gz CYUKSZBETHWBRW-UHFFFAOYSA-N -1 3 364.427 2.396 20 10 FECDHM O=S(=O)(c1cccc(NCc2cc(F)ccc2[O-])c1)N1CCOCC1 ZINC000289559938 552340767 /nfs/dbraw/zinc/34/07/67/552340767.db2.gz GVEIETYDAMEPSP-UHFFFAOYSA-N -1 3 366.414 2.164 20 10 FECDHM COc1c([O-])c(CNC2(C(=O)N(C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000295129032 552961703 /nfs/dbraw/zinc/96/17/03/552961703.db2.gz YEWFWEREKXCMQC-UHFFFAOYSA-N -1 3 351.403 2.190 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CCCC1 ZINC000297811321 553342040 /nfs/dbraw/zinc/34/20/40/553342040.db2.gz KOMZYNWTSVLLRZ-UHFFFAOYSA-N -1 3 355.232 2.126 20 10 FECDHM COC(=O)c1cn([C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)nn1 ZINC000365266348 555527336 /nfs/dbraw/zinc/52/73/36/555527336.db2.gz KZWBDOKQPQWNLJ-SNVBAGLBSA-N -1 3 368.796 2.400 20 10 FECDHM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000365680782 555639387 /nfs/dbraw/zinc/63/93/87/555639387.db2.gz SANTYQUPGOGIKZ-QFYYESIMSA-N -1 3 362.407 2.016 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCN(C3CCOCC3)CC2)c1[O-] ZINC000371861477 557314039 /nfs/dbraw/zinc/31/40/39/557314039.db2.gz ROPZNLFHBAQQKP-UHFFFAOYSA-N -1 3 350.434 2.421 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000373579156 557721856 /nfs/dbraw/zinc/72/18/56/557721856.db2.gz CWCDDQHFMRVEKV-UHFFFAOYSA-N -1 3 354.362 2.253 20 10 FECDHM C[C@H]1CC[C@@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000376873065 558232359 /nfs/dbraw/zinc/23/23/59/558232359.db2.gz XEZJNYKTUMIFRU-YVEFUNNKSA-N -1 3 352.456 2.416 20 10 FECDHM CNC(=O)NC[C@@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000530104844 562398393 /nfs/dbraw/zinc/39/83/93/562398393.db2.gz PXXUTUNMZVNXAI-CYBMUJFWSA-N -1 3 373.453 2.147 20 10 FECDHM CN(C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)S(C)(=O)=O ZINC000809688994 674505303 /nfs/dbraw/zinc/50/53/03/674505303.db2.gz SRPOBJNOJZEFAQ-NSHDSACASA-N -1 3 364.870 2.288 20 10 FECDHM CCc1nnc(NCc2cc(OC)ccc2O)c(-c2nnn[n-]2)c1CC ZINC000821542706 606936126 /nfs/dbraw/zinc/93/61/26/606936126.db2.gz XTJIHGBWIUCJSL-UHFFFAOYSA-N -1 3 355.402 2.108 20 10 FECDHM CCc1nnc(NCc2cc(OC)ccc2O)c(-c2nn[n-]n2)c1CC ZINC000821542706 606936129 /nfs/dbraw/zinc/93/61/29/606936129.db2.gz XTJIHGBWIUCJSL-UHFFFAOYSA-N -1 3 355.402 2.108 20 10 FECDHM CC[C@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825044929 609416273 /nfs/dbraw/zinc/41/62/73/609416273.db2.gz VWAAXESICKILHU-LJQANCHMSA-N -1 3 368.441 2.165 20 10 FECDHM CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816488087 675059114 /nfs/dbraw/zinc/05/91/14/675059114.db2.gz IADNTTVGUXBUNS-GFCCVEGCSA-N -1 3 364.870 2.479 20 10 FECDHM CN(Cc1cccc(Br)c1[O-])CC(C)(C)S(C)(=O)=O ZINC000093772641 670754771 /nfs/dbraw/zinc/75/47/71/670754771.db2.gz LQSUXTBMZAEROG-UHFFFAOYSA-N -1 3 350.278 2.410 20 10 FECDHM COC(=O)CN(Cc1cn2cccnc2n1)Cc1cc(Cl)ccc1[O-] ZINC000111238337 670856243 /nfs/dbraw/zinc/85/62/43/670856243.db2.gz JNBUTQRQUDABEJ-UHFFFAOYSA-N -1 3 360.801 2.264 20 10 FECDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1NC(C)=O ZINC000743260110 673754001 /nfs/dbraw/zinc/75/40/01/673754001.db2.gz WFVAJRBOABYRRU-UHFFFAOYSA-N -1 3 350.396 2.468 20 10 FECDHM CCOC(=O)C1([S@@](C)=O)CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000824608657 675613392 /nfs/dbraw/zinc/61/33/92/675613392.db2.gz LNHZQTQXAUYMTG-HSZRJFAPSA-N -1 3 359.875 2.322 20 10 FECDHM COC(=O)c1n[nH]c2c1CN(Cc1cc(Br)ccc1[O-])CC2 ZINC000825017628 675633802 /nfs/dbraw/zinc/63/38/02/675633802.db2.gz WHWIQKIZVWTMKC-UHFFFAOYSA-N -1 3 366.215 2.223 20 10 FECDHM CC1(S(=O)(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000830627258 677051330 /nfs/dbraw/zinc/05/13/30/677051330.db2.gz HEUKZPUFCCXNFA-AWEZNQCLSA-N -1 3 358.891 2.482 20 10 FECDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000762574364 680754375 /nfs/dbraw/zinc/75/43/75/680754375.db2.gz XXOOYYIRCZBVAD-YPMHNXCESA-N -1 3 350.415 2.473 20 10 FECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(=O)c1ccc[nH]1 ZINC000836191838 680433945 /nfs/dbraw/zinc/43/39/45/680433945.db2.gz KBGYQHRIOMYYLV-AWEZNQCLSA-N -1 3 361.829 2.337 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccccn2)c1 ZINC000769720135 680992619 /nfs/dbraw/zinc/99/26/19/680992619.db2.gz OIRRLYVBQIESSL-OAHLLOKOSA-N -1 3 361.423 2.136 20 10 FECDHM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769947111 681001590 /nfs/dbraw/zinc/00/15/90/681001590.db2.gz CIXUOSXJKJIGKN-GXTWGEPZSA-N -1 3 358.485 2.168 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1[O-] ZINC000852652630 682313321 /nfs/dbraw/zinc/31/33/21/682313321.db2.gz AEDQTJATDPAZMZ-AWEZNQCLSA-N -1 3 353.850 2.436 20 10 FECDHM CCCCNS(=O)(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790494346 682681992 /nfs/dbraw/zinc/68/19/92/682681992.db2.gz FZMYUDCDEQXUQS-UHFFFAOYSA-N -1 3 364.423 2.429 20 10 FECDHM C[C@H]1c2ccccc2C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000855566039 682685738 /nfs/dbraw/zinc/68/57/38/682685738.db2.gz FWDAAMXGIXPLDK-MEDUHNTESA-N -1 3 360.435 2.222 20 10 FECDHM C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000920040474 683314465 /nfs/dbraw/zinc/31/44/65/683314465.db2.gz SAUJUUWSMYYNRY-LLVKDONJSA-N -1 3 366.414 2.436 20 10 FECDHM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC1(C)C ZINC000927916255 683340047 /nfs/dbraw/zinc/34/00/47/683340047.db2.gz ZKIHPHCHSHLRBF-CYBMUJFWSA-N -1 3 350.415 2.473 20 10 FECDHM COCCOc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1 ZINC000921452733 683473023 /nfs/dbraw/zinc/47/30/23/683473023.db2.gz XSSZBTHSFKHNLV-UHFFFAOYSA-N -1 3 355.387 2.035 20 10 FECDHM O=S1(=O)CC[C@H](N(Cc2c([O-])cccc2Br)C2CC2)C1 ZINC000862225393 683552960 /nfs/dbraw/zinc/55/29/60/683552960.db2.gz STRVLFKZDJFJKN-NSHDSACASA-N -1 3 360.273 2.306 20 10 FECDHM COC(=O)CN(Cc1noc2c1COCC2)Cc1cc(Cl)ccc1[O-] ZINC000929976034 683664196 /nfs/dbraw/zinc/66/41/96/683664196.db2.gz LUTVCMVRHWIOKL-UHFFFAOYSA-N -1 3 366.801 2.282 20 10 FECDHM O=C(NC1(c2ncc(Br)cn2)CCC1)c1cccc(O)c1[O-] ZINC000886840743 688325134 /nfs/dbraw/zinc/32/51/34/688325134.db2.gz PMJKQTLPGUHEHF-UHFFFAOYSA-N -1 3 364.199 2.460 20 10 FECDHM O=c1cc(N2CC[C@H]([NH2+]Cc3cccc(Br)c3[O-])C2)nc[n-]1 ZINC000898159066 690136089 /nfs/dbraw/zinc/13/60/89/690136089.db2.gz MNOFOCQFMNPMMA-NSHDSACASA-N -1 3 365.231 2.019 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(CC3CCOCC3)CC2)c1[O-] ZINC000079437872 542518996 /nfs/dbraw/zinc/51/89/96/542518996.db2.gz ILXABZRZPVDVHR-UHFFFAOYSA-N -1 3 350.434 2.278 20 10 FECDHM CN(CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccccc1[O-] ZINC000109773756 543338841 /nfs/dbraw/zinc/33/88/41/543338841.db2.gz BTGMYGFGGMTMPQ-QGZVFWFLSA-N -1 3 353.466 2.467 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000152988733 544719402 /nfs/dbraw/zinc/71/94/02/544719402.db2.gz DOGWBWHHWOAPOJ-LESCRADOSA-N -1 3 372.446 2.079 20 10 FECDHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(N(C)C)c(F)c1 ZINC000156908997 545674847 /nfs/dbraw/zinc/67/48/47/545674847.db2.gz CEXVYVIHEIOCGP-UHFFFAOYSA-N -1 3 372.443 2.218 20 10 FECDHM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c([O-])c1O ZINC000177665550 546663041 /nfs/dbraw/zinc/66/30/41/546663041.db2.gz PJPODBACCGQJIP-UHFFFAOYSA-N -1 3 354.406 2.441 20 10 FECDHM Cc1ccc(C(=O)N2CCC(c3nnc4ccccn43)CC2)c([O-])c1O ZINC000179394662 546945522 /nfs/dbraw/zinc/94/55/22/546945522.db2.gz OOYCMYZCINXDQE-UHFFFAOYSA-N -1 3 352.394 2.469 20 10 FECDHM Cc1ccc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c([O-])c1O ZINC000179415458 546948912 /nfs/dbraw/zinc/94/89/12/546948912.db2.gz OVUMOUOJGPCDGV-UHFFFAOYSA-N -1 3 354.406 2.395 20 10 FECDHM O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1cccc(O)c1[O-] ZINC000187027145 548243116 /nfs/dbraw/zinc/24/31/16/548243116.db2.gz LQEVZIGWCYLPSY-MRXNPFEDSA-N -1 3 360.385 2.040 20 10 FECDHM CC1CCN(c2ccc(CNC(=O)C(=O)[N-]c3cnns3)cc2)CC1 ZINC000192014369 548355758 /nfs/dbraw/zinc/35/57/58/548355758.db2.gz CDORTUXIKRPXJA-UHFFFAOYSA-N -1 3 359.455 2.029 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c1[O-] ZINC000267356209 550030143 /nfs/dbraw/zinc/03/01/43/550030143.db2.gz HHBIMQCEHIAIEK-GFCCVEGCSA-N -1 3 374.890 2.009 20 10 FECDHM Cc1cnc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000267525744 550032342 /nfs/dbraw/zinc/03/23/42/550032342.db2.gz OEDFIKRJQGTRGP-VIFPVBQESA-N -1 3 355.441 2.020 20 10 FECDHM COC(=O)CN(Cc1cnc(N(C)C)nc1)Cc1cc(Cl)ccc1[O-] ZINC000271210094 550353345 /nfs/dbraw/zinc/35/33/45/550353345.db2.gz XWKAXRQUKFIJIY-UHFFFAOYSA-N -1 3 364.833 2.077 20 10 FECDHM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272534826 550456599 /nfs/dbraw/zinc/45/65/99/550456599.db2.gz BDURVAKIDYGBAJ-NSHDSACASA-N -1 3 362.455 2.326 20 10 FECDHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)c([O-])c1O ZINC000272748323 550468479 /nfs/dbraw/zinc/46/84/79/550468479.db2.gz NPFHRXKJKVGRPL-WCQYABFASA-N -1 3 352.456 2.082 20 10 FECDHM C[C@H](CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nccs1 ZINC000273538163 550502253 /nfs/dbraw/zinc/50/22/53/550502253.db2.gz SQOUEOOGFWBOAX-SNVBAGLBSA-N -1 3 369.468 2.096 20 10 FECDHM Cc1nc(SCCC(=O)NCc2cccc(Br)c2[O-])n[nH]1 ZINC000277402529 550666143 /nfs/dbraw/zinc/66/61/43/550666143.db2.gz BLFZLOPLIKFTSD-UHFFFAOYSA-N -1 3 371.260 2.380 20 10 FECDHM Cc1nnc(SCCC(=O)NCc2cccc(Br)c2[O-])[nH]1 ZINC000277402529 550666144 /nfs/dbraw/zinc/66/61/44/550666144.db2.gz BLFZLOPLIKFTSD-UHFFFAOYSA-N -1 3 371.260 2.380 20 10 FECDHM COc1c([O-])c(CNCC(=O)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278952184 550839593 /nfs/dbraw/zinc/83/95/93/550839593.db2.gz ZQMNWARUKCFDIW-UHFFFAOYSA-N -1 3 359.382 2.057 20 10 FECDHM CCOC(=O)CCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000279977006 550949030 /nfs/dbraw/zinc/94/90/30/550949030.db2.gz ZBAZGVUYTYNGRS-UHFFFAOYSA-N -1 3 354.790 2.153 20 10 FECDHM COc1ccc(NCc2cccc(OC)c2O)cc1[N-]S(C)(=O)=O ZINC000282862217 551279090 /nfs/dbraw/zinc/27/90/90/551279090.db2.gz UVVIJJZWIGLRFV-UHFFFAOYSA-N -1 3 352.412 2.393 20 10 FECDHM CN(C)S(=O)(=O)c1cccc2c1CCN(Cc1cc(F)ccc1[O-])C2 ZINC000284453034 551552657 /nfs/dbraw/zinc/55/26/57/551552657.db2.gz UMCYGUZXJDWAPO-UHFFFAOYSA-N -1 3 364.442 2.340 20 10 FECDHM CN1CCN(C(=O)C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)CC1 ZINC000293521514 552832195 /nfs/dbraw/zinc/83/21/95/552832195.db2.gz AZCHGNJANNTKKA-UHFFFAOYSA-N -1 3 369.868 2.171 20 10 FECDHM CCCS(=O)(=O)NC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294898884 552942482 /nfs/dbraw/zinc/94/24/82/552942482.db2.gz MJDNBKQHKUKSGW-UHFFFAOYSA-N -1 3 364.870 2.479 20 10 FECDHM COc1c([O-])c(CN(C)CCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000296547618 553177881 /nfs/dbraw/zinc/17/78/81/553177881.db2.gz MPJSLVNBZQQZIR-UHFFFAOYSA-N -1 3 355.391 2.266 20 10 FECDHM CC(=O)c1cc(F)cc(CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1[O-] ZINC000296657427 553194653 /nfs/dbraw/zinc/19/46/53/553194653.db2.gz JPBAVYAUPFZUET-CQSZACIVSA-N -1 3 370.421 2.051 20 10 FECDHM CN(CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)Cc1ccccc1[O-] ZINC000363398599 555095093 /nfs/dbraw/zinc/09/50/93/555095093.db2.gz LXEBRRBNHIDSEI-UHFFFAOYSA-N -1 3 373.497 2.075 20 10 FECDHM Cc1ccc(C(=O)N2CCC(n3nnc4c3CCCC4)CC2)c([O-])c1O ZINC000365042051 555471463 /nfs/dbraw/zinc/47/14/63/555471463.db2.gz YBNRVMQRXKDOBP-UHFFFAOYSA-N -1 3 356.426 2.354 20 10 FECDHM O=C(N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cccc(O)c1[O-] ZINC000365759685 555661407 /nfs/dbraw/zinc/66/14/07/555661407.db2.gz VGYCUFWHCDWFCV-CQSZACIVSA-N -1 3 364.405 2.025 20 10 FECDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000366027944 555731039 /nfs/dbraw/zinc/73/10/39/555731039.db2.gz VGBHSNBEIGQEQZ-LBPRGKRZSA-N -1 3 367.810 2.352 20 10 FECDHM COc1c([O-])c(CN2CCC(NC(=O)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000369321959 556574459 /nfs/dbraw/zinc/57/44/59/556574459.db2.gz OGZUJQXQGMYWLN-UHFFFAOYSA-N -1 3 363.414 2.190 20 10 FECDHM O=C1CCN(CN[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000369917935 556729904 /nfs/dbraw/zinc/72/99/04/556729904.db2.gz FXUBTBFLRIZOPW-MRXNPFEDSA-N -1 3 351.878 2.222 20 10 FECDHM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC12CCC2 ZINC000371434151 557186129 /nfs/dbraw/zinc/18/61/29/557186129.db2.gz ZTVKLZYMGGOSQD-GFCCVEGCSA-N -1 3 352.456 2.416 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCc2c[nH]nc2C1 ZINC000372949563 557595121 /nfs/dbraw/zinc/59/51/21/557595121.db2.gz CNMGUINPPDNNLW-ZDUSSCGKSA-N -1 3 360.801 2.090 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC=C(c3cccnc3)CC2)c1 ZINC000375044693 557969167 /nfs/dbraw/zinc/96/91/67/557969167.db2.gz ZMDKDSXQQMSPSS-UHFFFAOYSA-N -1 3 373.434 2.088 20 10 FECDHM COc1ccccc1[C@@H](NC(=O)c1cccc(O)c1[O-])c1nccn1C ZINC000375669757 558064927 /nfs/dbraw/zinc/06/49/27/558064927.db2.gz VFXDUGXAANGBIO-MRXNPFEDSA-N -1 3 353.378 2.359 20 10 FECDHM COc1c([O-])c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213683 558290077 /nfs/dbraw/zinc/29/00/77/558290077.db2.gz IVGDGNQSLKLHLH-SJCJKPOMSA-N -1 3 352.387 2.079 20 10 FECDHM COc1cc(Br)cc(CN2CCOC[C@H]2c2ncon2)c1[O-] ZINC000378546930 558580258 /nfs/dbraw/zinc/58/02/58/558580258.db2.gz XBFAVTHLISLGPM-NSHDSACASA-N -1 3 370.203 2.120 20 10 FECDHM COc1cccc(CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000737130549 598264380 /nfs/dbraw/zinc/26/43/80/598264380.db2.gz GAVZXNGCOQZYJM-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM COc1cccc(CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000737130549 598264382 /nfs/dbraw/zinc/26/43/82/598264382.db2.gz GAVZXNGCOQZYJM-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM Cc1cc(C(=O)OC[C@@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737241596 598623211 /nfs/dbraw/zinc/62/32/11/598623211.db2.gz LZNCJKYZPNKVMM-CQSZACIVSA-N -1 3 367.409 2.468 20 10 FECDHM CN(Cc1ccccc1O)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821615565 599679188 /nfs/dbraw/zinc/67/91/88/599679188.db2.gz CJEBFMNWFPNNIK-UHFFFAOYSA-N -1 3 356.361 2.053 20 10 FECDHM CN(C)c1ccc(CN(C)C(=O)CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000830830960 601842700 /nfs/dbraw/zinc/84/27/00/601842700.db2.gz PZALHNDLLPFABP-UHFFFAOYSA-N -1 3 361.486 2.288 20 10 FECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824297708 607702094 /nfs/dbraw/zinc/70/20/94/607702094.db2.gz ZTTYDSHAZMMSPH-UHFFFAOYSA-N -1 3 353.430 2.312 20 10 FECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824297708 607702096 /nfs/dbraw/zinc/70/20/96/607702096.db2.gz ZTTYDSHAZMMSPH-UHFFFAOYSA-N -1 3 353.430 2.312 20 10 FECDHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(Cc1ccco1)Cc1ccccc1O ZINC000826471429 607751386 /nfs/dbraw/zinc/75/13/86/607751386.db2.gz ZDKVFOULSKTJLV-UHFFFAOYSA-N -1 3 364.365 2.336 20 10 FECDHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(Cc1ccco1)Cc1ccccc1O ZINC000826471429 607751387 /nfs/dbraw/zinc/75/13/87/607751387.db2.gz ZDKVFOULSKTJLV-UHFFFAOYSA-N -1 3 364.365 2.336 20 10 FECDHM Cc1cc(C(=O)N[C@H](C)C(C)(C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167152 606027573 /nfs/dbraw/zinc/02/75/73/606027573.db2.gz BHWWBICBWYNBOZ-CYBMUJFWSA-N -1 3 368.441 2.163 20 10 FECDHM COc1ccc(N2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)cc1F ZINC000826209508 608836334 /nfs/dbraw/zinc/83/63/34/608836334.db2.gz FNUKJGFZQIQYAN-UHFFFAOYSA-N -1 3 374.445 2.398 20 10 FECDHM COc1ccc(N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1F ZINC000826209508 608836335 /nfs/dbraw/zinc/83/63/35/608836335.db2.gz FNUKJGFZQIQYAN-UHFFFAOYSA-N -1 3 374.445 2.398 20 10 FECDHM Cc1cc(C(=O)N2CCC(=O)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257916 609423424 /nfs/dbraw/zinc/42/34/24/609423424.db2.gz SPBNBMQHSVVGFL-UHFFFAOYSA-N -1 3 364.409 2.079 20 10 FECDHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cccc(Br)c1[O-] ZINC000093421121 670753077 /nfs/dbraw/zinc/75/30/77/670753077.db2.gz XXDJLLZLNAKBQE-UWVGGRQHSA-N -1 3 350.278 2.408 20 10 FECDHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cccc(Br)c1[O-] ZINC000093421119 670753159 /nfs/dbraw/zinc/75/31/59/670753159.db2.gz XXDJLLZLNAKBQE-NXEZZACHSA-N -1 3 350.278 2.408 20 10 FECDHM C[C@H](C(=O)N1CCCC1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093843366 670755887 /nfs/dbraw/zinc/75/58/87/670755887.db2.gz IBVQHTDDJPSBRW-CQSZACIVSA-N -1 3 351.878 2.174 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccccc3F)CC2)c1 ZINC000094157922 670758186 /nfs/dbraw/zinc/75/81/86/670758186.db2.gz UFATUMCTVDUHGM-UHFFFAOYSA-N -1 3 364.398 2.322 20 10 FECDHM CC(C)[C@H](CNC(=O)c1cccc(O)c1[O-])ONC(=O)OC(C)(C)C ZINC000817617397 675153586 /nfs/dbraw/zinc/15/35/86/675153586.db2.gz RWAIJPHPZKACIJ-ZDUSSCGKSA-N -1 3 354.403 2.309 20 10 FECDHM Cc1ccc2c(c1)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC2 ZINC000730286449 673268973 /nfs/dbraw/zinc/26/89/73/673268973.db2.gz APEQOEQWQHNKEG-MRXNPFEDSA-N -1 3 360.435 2.489 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2coc3ccccc23)c1 ZINC000734020031 673449036 /nfs/dbraw/zinc/44/90/36/673449036.db2.gz JDNPXINHXDSLLI-UHFFFAOYSA-N -1 3 360.391 2.440 20 10 FECDHM O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(O)c1[O-] ZINC000819328930 675281882 /nfs/dbraw/zinc/28/18/82/675281882.db2.gz QMKYKBOAJAUHHA-UHFFFAOYSA-N -1 3 369.826 2.345 20 10 FECDHM CCN(CC)C(=O)CN1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824542926 675609627 /nfs/dbraw/zinc/60/96/27/675609627.db2.gz ZYURTZIMYLWFFD-UHFFFAOYSA-N -1 3 353.894 2.340 20 10 FECDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])[C@H]2CCC[C@@H]21 ZINC000825201795 675641486 /nfs/dbraw/zinc/64/14/86/675641486.db2.gz NYDGLQKKIJCESW-JSGCOSHPSA-N -1 3 360.273 2.306 20 10 FECDHM Cn1ccnc1N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000827891188 675785460 /nfs/dbraw/zinc/78/54/60/675785460.db2.gz COTDAPREBFPOTB-UHFFFAOYSA-N -1 3 351.248 2.210 20 10 FECDHM O=C(CCCCc1c[nH]nn1)NCc1cccc(Br)c1[O-] ZINC000765746053 680853850 /nfs/dbraw/zinc/85/38/50/680853850.db2.gz CEODDMGNACCXHZ-UHFFFAOYSA-N -1 3 353.220 2.302 20 10 FECDHM O=C(CCCCc1cn[nH]n1)NCc1cccc(Br)c1[O-] ZINC000765746053 680853851 /nfs/dbraw/zinc/85/38/51/680853851.db2.gz CEODDMGNACCXHZ-UHFFFAOYSA-N -1 3 353.220 2.302 20 10 FECDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1[O-] ZINC000756776439 680497319 /nfs/dbraw/zinc/49/73/19/680497319.db2.gz PGLYEMKTAWRQEY-OQPBUACISA-N -1 3 358.211 2.412 20 10 FECDHM C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(N(C)C)cc1 ZINC000776238956 681375444 /nfs/dbraw/zinc/37/54/44/681375444.db2.gz NIBOHKDJOULGNC-SECBINFHSA-N -1 3 356.352 2.450 20 10 FECDHM CSCC[C@@H](NC(=O)c1cccc(O)c1[O-])c1nnc2ccccn21 ZINC000776614616 681417372 /nfs/dbraw/zinc/41/73/72/681417372.db2.gz IUNHAUOUIIGQDL-GFCCVEGCSA-N -1 3 358.423 2.365 20 10 FECDHM Cn1ccnc1CN1CCC[C@H](NCc2c([O-])ccc(Cl)c2F)C1=O ZINC000790986186 682718091 /nfs/dbraw/zinc/71/80/91/682718091.db2.gz IMMATBBSALLQTR-ZDUSSCGKSA-N -1 3 366.824 2.199 20 10 FECDHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921451801 683472629 /nfs/dbraw/zinc/47/26/29/683472629.db2.gz WDZIXGSZAMBUHV-AWEZNQCLSA-N -1 3 371.405 2.348 20 10 FECDHM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928710344 683492368 /nfs/dbraw/zinc/49/23/68/683492368.db2.gz BWWCDDCPXNQKCZ-OAHLLOKOSA-N -1 3 362.426 2.443 20 10 FECDHM CCN(Cc1c([O-])cccc1Br)[C@@H](C)CS(C)(=O)=O ZINC000862245456 683558029 /nfs/dbraw/zinc/55/80/29/683558029.db2.gz PFZYYSPLEOJJEJ-JTQLQIEISA-N -1 3 350.278 2.410 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(Cc3cccs3)C2)c1 ZINC000863596290 683748983 /nfs/dbraw/zinc/74/89/83/683748983.db2.gz SKAGFVKFZUWPPL-UHFFFAOYSA-N -1 3 366.464 2.140 20 10 FECDHM Cc1cc(N(C)C)ccc1C[C@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867408701 684272129 /nfs/dbraw/zinc/27/21/29/684272129.db2.gz BIPLBMGXRQQKIX-AWEZNQCLSA-N -1 3 373.544 2.088 20 10 FECDHM CCN(CC(=O)N=S(C)(C)=O)Cc1cc(Br)ccc1[O-] ZINC000878154248 686530998 /nfs/dbraw/zinc/53/09/98/686530998.db2.gz WRXQBAPIVYYGGK-UHFFFAOYSA-N -1 3 363.277 2.231 20 10 FECDHM COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3cccnc3F)C2)cc1 ZINC000882277144 687340946 /nfs/dbraw/zinc/34/09/46/687340946.db2.gz XOMCTYKJGGHXNW-ZDUSSCGKSA-N -1 3 365.430 2.034 20 10 FECDHM C[C@H](S[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)[O-] ZINC000899855160 690428647 /nfs/dbraw/zinc/42/86/47/690428647.db2.gz SPXHUIBCYAZKNW-HEHGZKQESA-N -1 3 367.515 2.066 20 10 FECDHM CNC(=O)c1c(C)[nH]nc1NCc1cc(C)cc(Br)c1[O-] ZINC000902664173 690795273 /nfs/dbraw/zinc/79/52/73/690795273.db2.gz KZKHPKLRAVDSEL-UHFFFAOYSA-N -1 3 353.220 2.466 20 10 FECDHM COCCOc1cccc(CNC(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000109769081 543338849 /nfs/dbraw/zinc/33/88/49/543338849.db2.gz NAIUOHWJYPUROY-UHFFFAOYSA-N -1 3 358.438 2.166 20 10 FECDHM COC(=O)c1ccc(CNC(=O)[C@H](C)N(C)Cc2ccccc2[O-])cc1 ZINC000112583492 543453108 /nfs/dbraw/zinc/45/31/08/543453108.db2.gz DIEKSMIDLYXMIO-AWEZNQCLSA-N -1 3 356.422 2.316 20 10 FECDHM Cn1cc(C(=O)NCC2CCN(Cc3c([O-])cccc3Cl)CC2)cn1 ZINC000127116995 543973215 /nfs/dbraw/zinc/97/32/15/543973215.db2.gz RAKMPZRGYRXQMP-UHFFFAOYSA-N -1 3 362.861 2.421 20 10 FECDHM O=S(=O)(C[C@@H](O)CNCc1c([O-])cccc1Cl)c1cccs1 ZINC000129442053 544112419 /nfs/dbraw/zinc/11/24/19/544112419.db2.gz BRVKRZTUAKDCAP-JTQLQIEISA-N -1 3 361.872 2.032 20 10 FECDHM CCOCCOCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134261785 544300747 /nfs/dbraw/zinc/30/07/47/544300747.db2.gz LEBBTPGZZBHOLC-MRXNPFEDSA-N -1 3 370.877 2.179 20 10 FECDHM CCOC(=O)NCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000175843623 546360336 /nfs/dbraw/zinc/36/03/36/546360336.db2.gz CWVLZRUWBVDGQH-UHFFFAOYSA-N -1 3 359.220 2.249 20 10 FECDHM Cc1ccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c([O-])c1O ZINC000179443289 546955970 /nfs/dbraw/zinc/95/59/70/546955970.db2.gz JEFCDPAHAQCSFD-UHFFFAOYSA-N -1 3 354.406 2.459 20 10 FECDHM COc1ccc(C(=O)N2CCN(Cc3ccccc3[O-])CC2)cc1OC ZINC000179555623 546976570 /nfs/dbraw/zinc/97/65/70/546976570.db2.gz WRURNUUJBIGISP-UHFFFAOYSA-N -1 3 356.422 2.367 20 10 FECDHM COc1cc(Cl)cc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c1[O-] ZINC000184687988 547865745 /nfs/dbraw/zinc/86/57/45/547865745.db2.gz HRWMWRHOKYPGMG-OAHLLOKOSA-N -1 3 368.861 2.268 20 10 FECDHM C[C@H](NCC(=O)NCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000185179034 547946864 /nfs/dbraw/zinc/94/68/64/547946864.db2.gz KKJBRSXAMAWAMV-ZETCQYMHSA-N -1 3 355.154 2.484 20 10 FECDHM C[C@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187790316 548263642 /nfs/dbraw/zinc/26/36/42/548263642.db2.gz DNVVOXIHUPISOM-GXFFZTMASA-N -1 3 350.369 2.250 20 10 FECDHM COCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000267427162 550031745 /nfs/dbraw/zinc/03/17/45/550031745.db2.gz BOUOPBXQBMAKJH-JSGCOSHPSA-N -1 3 366.433 2.097 20 10 FECDHM CS[C@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000269542281 550205033 /nfs/dbraw/zinc/20/50/33/550205033.db2.gz XIXLNCUFINQOJL-LBPRGKRZSA-N -1 3 358.485 2.121 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)COCC(F)(F)F ZINC000272252736 550431417 /nfs/dbraw/zinc/43/14/17/550431417.db2.gz PIDXAAAQRXRQTH-UHFFFAOYSA-N -1 3 369.723 2.126 20 10 FECDHM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1CC(=O)[N-]C1=O ZINC000272259298 550432208 /nfs/dbraw/zinc/43/22/08/550432208.db2.gz QFKZSNZIQIUCMX-AWEZNQCLSA-N -1 3 367.405 2.034 20 10 FECDHM Cc1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c([O-])c1O ZINC000272755015 550469033 /nfs/dbraw/zinc/46/90/33/550469033.db2.gz KJMUFLHXZYBTTL-MRXNPFEDSA-N -1 3 370.405 2.454 20 10 FECDHM Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)c([O-])c1O ZINC000272781685 550470779 /nfs/dbraw/zinc/47/07/79/550470779.db2.gz VIGYRAAICCDHIH-NVXWUHKLSA-N -1 3 357.406 2.371 20 10 FECDHM CCCCCN(CCCOC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000272968632 550478561 /nfs/dbraw/zinc/47/85/61/550478561.db2.gz KNYOVSRQPNLKTP-UHFFFAOYSA-N -1 3 372.487 2.433 20 10 FECDHM C[C@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273435943 550498570 /nfs/dbraw/zinc/49/85/70/550498570.db2.gz MCDHOUVNAZLWMT-LKFCYVNXSA-N -1 3 374.319 2.135 20 10 FECDHM C[C@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273435943 550498571 /nfs/dbraw/zinc/49/85/71/550498571.db2.gz MCDHOUVNAZLWMT-LKFCYVNXSA-N -1 3 374.319 2.135 20 10 FECDHM COc1cc(N2CCN(Cc3nc(C)ccc3[O-])CC2)cc(OC)c1OC ZINC000273715564 550508879 /nfs/dbraw/zinc/50/88/79/550508879.db2.gz GZVXHKKNUXIPKD-UHFFFAOYSA-N -1 3 373.453 2.444 20 10 FECDHM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000274801746 550555597 /nfs/dbraw/zinc/55/55/97/550555597.db2.gz AYXKNQZMQBKUMS-HOCLYGCPSA-N -1 3 370.471 2.087 20 10 FECDHM COc1ccc([O-])c(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 ZINC000275526975 550572670 /nfs/dbraw/zinc/57/26/70/550572670.db2.gz JVAAIPDKHDSPEY-UHFFFAOYSA-N -1 3 369.421 2.322 20 10 FECDHM COc1c([O-])c(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133797 550752878 /nfs/dbraw/zinc/75/28/78/550752878.db2.gz CPNMZIZBOLWZHY-YGRLFVJLSA-N -1 3 364.320 2.444 20 10 FECDHM COc1c([O-])c(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143715 550754006 /nfs/dbraw/zinc/75/40/06/550754006.db2.gz BJEYLRAKHNKVCF-GXFFZTMASA-N -1 3 350.293 2.197 20 10 FECDHM COc1c([O-])c(CN[C@H](C)C(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278935148 550837958 /nfs/dbraw/zinc/83/79/58/550837958.db2.gz WVUKQXLGPUBGJP-GFCCVEGCSA-N -1 3 359.382 2.104 20 10 FECDHM CCCOc1ccc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c([O-])c1 ZINC000279474140 550894267 /nfs/dbraw/zinc/89/42/67/550894267.db2.gz SNJVTNUOHRCECB-MRXNPFEDSA-N -1 3 368.499 2.181 20 10 FECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000280431466 550992889 /nfs/dbraw/zinc/99/28/89/550992889.db2.gz JESBYBLTHWFQHA-CYBMUJFWSA-N -1 3 369.421 2.455 20 10 FECDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@@H]21 ZINC000280460843 550996500 /nfs/dbraw/zinc/99/65/00/550996500.db2.gz MEEKAPVRLXBRBG-FPMFFAJLSA-N -1 3 362.426 2.473 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@]1(C)CCC(=O)NC1 ZINC000282595115 551250102 /nfs/dbraw/zinc/25/01/02/551250102.db2.gz DBXMOECUOVRYQX-INIZCTEOSA-N -1 3 369.259 2.420 20 10 FECDHM Cc1cc(Br)cc(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1[O-] ZINC000290920903 552562321 /nfs/dbraw/zinc/56/23/21/552562321.db2.gz NVLQFXYOKIUKJU-GHMZBOCLSA-N -1 3 362.289 2.471 20 10 FECDHM O=C(NCc1ccc(CN2CCC(O)CC2)cc1)c1c(F)ccc(O)c1[O-] ZINC000295335165 552989286 /nfs/dbraw/zinc/98/92/86/552989286.db2.gz UJOXEWXEGAFAKC-UHFFFAOYSA-N -1 3 374.412 2.124 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]2c2ccccc2F)c1 ZINC000363597146 555144641 /nfs/dbraw/zinc/14/46/41/555144641.db2.gz KUYPIBKHCLRSNL-OAHLLOKOSA-N -1 3 364.398 2.490 20 10 FECDHM Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000363923385 555214843 /nfs/dbraw/zinc/21/48/43/555214843.db2.gz GIGFQURAIRAOLQ-ZDUSSCGKSA-N -1 3 355.394 2.292 20 10 FECDHM CCn1ccnc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1=O ZINC000368464366 556317259 /nfs/dbraw/zinc/31/72/59/556317259.db2.gz ACBUEZYZINVFSK-OAHLLOKOSA-N -1 3 362.861 2.699 20 10 FECDHM COc1cc(Br)cc(CN2CC[S@](=O)C[C@@H](C)C2)c1[O-] ZINC000369350178 556576313 /nfs/dbraw/zinc/57/63/13/556576313.db2.gz RMRHOINJPWTEOO-FVINQWEUSA-N -1 3 362.289 2.364 20 10 FECDHM COc1cccc(C(=O)NC2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000370033551 556762893 /nfs/dbraw/zinc/76/28/93/556762893.db2.gz QUCCNCKWROFCDU-UHFFFAOYSA-N -1 3 370.405 2.141 20 10 FECDHM O=S(=O)(NC1CCN(Cc2cc(F)ccc2[O-])CC1)c1ccccc1 ZINC000374908201 557949686 /nfs/dbraw/zinc/94/96/86/557949686.db2.gz GYZKCEADWBNAIM-UHFFFAOYSA-N -1 3 364.442 2.474 20 10 FECDHM O=S(=O)(NC1CCN(Cc2cccc(F)c2[O-])CC1)c1ccccc1 ZINC000374917385 557951339 /nfs/dbraw/zinc/95/13/39/557951339.db2.gz YCFOLHMMNVMDGQ-UHFFFAOYSA-N -1 3 364.442 2.474 20 10 FECDHM COc1ccc(O)c(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737105546 598923554 /nfs/dbraw/zinc/92/35/54/598923554.db2.gz IWUGWZABQOTFTO-UHFFFAOYSA-N -1 3 358.333 2.042 20 10 FECDHM COc1ccc(O)c(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737105546 598923557 /nfs/dbraw/zinc/92/35/57/598923557.db2.gz IWUGWZABQOTFTO-UHFFFAOYSA-N -1 3 358.333 2.042 20 10 FECDHM Cc1ccc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c(O)c1O ZINC000737316214 598409748 /nfs/dbraw/zinc/40/97/48/598409748.db2.gz VNSAQOVSOGPGBP-UHFFFAOYSA-N -1 3 370.365 2.212 20 10 FECDHM COCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736987161 598608941 /nfs/dbraw/zinc/60/89/41/598608941.db2.gz UVOOLIIDGKRBTH-UHFFFAOYSA-N -1 3 354.414 2.041 20 10 FECDHM Cc1cc(C(=O)NN2CCCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259742 608205654 /nfs/dbraw/zinc/20/56/54/608205654.db2.gz CVCUVGKKHCGVIA-UHFFFAOYSA-N -1 3 365.441 2.405 20 10 FECDHM Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259310 608206591 /nfs/dbraw/zinc/20/65/91/608206591.db2.gz OFGQVJVTUHZXJW-CXAGYDPISA-N -1 3 366.425 2.181 20 10 FECDHM Cc1cc(C(=O)NC(C)(C)CCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258761 609392954 /nfs/dbraw/zinc/39/29/54/609392954.db2.gz VKWQCKDGYGJBID-UHFFFAOYSA-N -1 3 368.441 2.165 20 10 FECDHM COC(=O)c1cn([C@@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C2)nn1 ZINC000816569708 675065892 /nfs/dbraw/zinc/06/58/92/675065892.db2.gz UJUJKFQXTOBOIU-SNVBAGLBSA-N -1 3 354.769 2.010 20 10 FECDHM O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1cccc(O)c1[O-] ZINC000817043448 675094523 /nfs/dbraw/zinc/09/45/23/675094523.db2.gz JUAVZQZVIOHMRL-LBPRGKRZSA-N -1 3 370.174 2.463 20 10 FECDHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068462491 670471616 /nfs/dbraw/zinc/47/16/16/670471616.db2.gz OHTHGCZSZUVGSY-GFCCVEGCSA-N -1 3 365.455 2.168 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(c3cccc(F)c3)CC2)c1 ZINC000094170077 670758214 /nfs/dbraw/zinc/75/82/14/670758214.db2.gz IIWOTHDRFUNNLG-UHFFFAOYSA-N -1 3 364.398 2.322 20 10 FECDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000740706340 673651112 /nfs/dbraw/zinc/65/11/12/673651112.db2.gz XPFUJYNDKCZKGE-UHFFFAOYSA-N -1 3 359.400 2.044 20 10 FECDHM Cc1ccc(CC[C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1 ZINC000743717824 673770317 /nfs/dbraw/zinc/77/03/17/673770317.db2.gz IDBXQQVDRBTLOP-NSHDSACASA-N -1 3 366.439 2.416 20 10 FECDHM COCc1nc([C@H]2COCCN2Cc2cc(Cl)c(C)cc2[O-])no1 ZINC000825461823 675654157 /nfs/dbraw/zinc/65/41/57/675654157.db2.gz ORAMBUXNFRHLMO-CYBMUJFWSA-N -1 3 353.806 2.457 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C[C@@H](C)S(C)(=O)=O ZINC000827945627 675788225 /nfs/dbraw/zinc/78/82/25/675788225.db2.gz YATGOUXFZROQFW-SNVBAGLBSA-N -1 3 350.278 2.410 20 10 FECDHM Cc1cc([O-])c(CN2CCCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1 ZINC000840943347 680855487 /nfs/dbraw/zinc/85/54/87/680855487.db2.gz OELZIPAKVAMSKU-UHFFFAOYSA-N -1 3 358.891 2.354 20 10 FECDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1SC)C1CCOCC1 ZINC000842588154 680953817 /nfs/dbraw/zinc/95/38/17/680953817.db2.gz LECNZYNJAHYMBZ-CQSZACIVSA-N -1 3 361.485 2.297 20 10 FECDHM CCCN(CC(F)(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769739151 680993261 /nfs/dbraw/zinc/99/32/61/680993261.db2.gz UFMJGEMWLNRCCV-UHFFFAOYSA-N -1 3 354.350 2.178 20 10 FECDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nccs1 ZINC000769902907 680999702 /nfs/dbraw/zinc/99/97/02/680999702.db2.gz OJDHHGKUGOGHJA-LLVKDONJSA-N -1 3 355.441 2.101 20 10 FECDHM O=C(CN1CCCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCCC1 ZINC000775648947 681321442 /nfs/dbraw/zinc/32/14/42/681321442.db2.gz JNPGIUKAJYDZFD-UHFFFAOYSA-N -1 3 369.868 2.315 20 10 FECDHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000776748658 681433044 /nfs/dbraw/zinc/43/30/44/681433044.db2.gz WBEKGSDSICMLQP-UHFFFAOYSA-N -1 3 365.407 2.443 20 10 FECDHM CNC(=O)Cn1nc(NCc2cc(C)cc(Br)c2[O-])cc1C ZINC000781635512 681955030 /nfs/dbraw/zinc/95/50/30/681955030.db2.gz IZRJKQPFDQGGHK-UHFFFAOYSA-N -1 3 367.247 2.326 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](OC)[C@H]1CCOC1 ZINC000851841865 682157728 /nfs/dbraw/zinc/15/77/28/682157728.db2.gz YPTYMHNGWFOMSX-BLLLJJGKSA-N -1 3 357.834 2.072 20 10 FECDHM COC(=O)c1cnc([C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)s1 ZINC000856462245 682785825 /nfs/dbraw/zinc/78/58/25/682785825.db2.gz YGTAJEJRQPOOKP-JTQLQIEISA-N -1 3 362.407 2.361 20 10 FECDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c(F)c1 ZINC000795062773 683012780 /nfs/dbraw/zinc/01/27/80/683012780.db2.gz YODHEENFYORJJE-UHFFFAOYSA-N -1 3 366.414 2.157 20 10 FECDHM COc1cccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000919811969 683300597 /nfs/dbraw/zinc/30/05/97/683300597.db2.gz SNNULJBDCVINGG-NSHDSACASA-N -1 3 364.423 2.263 20 10 FECDHM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2c([O-])cccc2F)C1 ZINC000928708497 683491766 /nfs/dbraw/zinc/49/17/66/683491766.db2.gz MWTQIGLMEXJDEX-LBPRGKRZSA-N -1 3 350.390 2.405 20 10 FECDHM NC(=O)c1cn(C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)nn1 ZINC000862483399 683594845 /nfs/dbraw/zinc/59/48/45/683594845.db2.gz MIYNJUPKYXDGSJ-UHFFFAOYSA-N -1 3 370.240 2.227 20 10 FECDHM Cc1cc(C)n(C[C@@H](NCc2cc(F)c(N(C)C)cc2F)C(=O)[O-])n1 ZINC000864509279 683863053 /nfs/dbraw/zinc/86/30/53/683863053.db2.gz KCAHBEMTLOKJAG-OAHLLOKOSA-N -1 3 352.385 2.087 20 10 FECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCC2(CCOCC2)CO1 ZINC000924001860 684385869 /nfs/dbraw/zinc/38/58/69/684385869.db2.gz YFTJGUIHUUKGJF-CYBMUJFWSA-N -1 3 352.406 2.306 20 10 FECDHM O=S1(=O)C[C@@H]2CCN(Cc3ccc(Br)cc3[O-])C[C@@H]2C1 ZINC000877791486 686462193 /nfs/dbraw/zinc/46/21/93/686462193.db2.gz QNBZLYTXDJNLMY-NWDGAFQWSA-N -1 3 360.273 2.021 20 10 FECDHM COC(=O)[C@H](Cc1cncs1)NCc1c([O-])cccc1Br ZINC000877804060 686468063 /nfs/dbraw/zinc/46/80/63/686468063.db2.gz NCXDORNZPZVHQQ-LBPRGKRZSA-N -1 3 371.256 2.485 20 10 FECDHM CCOC(=O)c1nc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)n[n-]1 ZINC000895240842 689682813 /nfs/dbraw/zinc/68/28/13/689682813.db2.gz GKNRTEYVPMMICG-VIFPVBQESA-N -1 3 353.373 2.176 20 10 FECDHM CCOC(=O)c1nnc([C@H](C)NCc2cc(F)c(N(C)C)cc2F)[n-]1 ZINC000895240842 689682816 /nfs/dbraw/zinc/68/28/16/689682816.db2.gz GKNRTEYVPMMICG-VIFPVBQESA-N -1 3 353.373 2.176 20 10 FECDHM CCOC(=O)c1n[n-]c([C@H](C)NCc2cc(F)c(N(C)C)cc2F)n1 ZINC000895240842 689682821 /nfs/dbraw/zinc/68/28/21/689682821.db2.gz GKNRTEYVPMMICG-VIFPVBQESA-N -1 3 353.373 2.176 20 10 FECDHM O=S(=O)(c1ccc(NCc2c([O-])cccc2F)cc1)N1CCOCC1 ZINC000895832144 689777282 /nfs/dbraw/zinc/77/72/82/689777282.db2.gz BVTWPWGKPDBDMO-UHFFFAOYSA-N -1 3 366.414 2.164 20 10 FECDHM COC(=O)[C@@](C)(Cn1cccn1)NCc1cc(Br)ccc1[O-] ZINC000898339535 690161707 /nfs/dbraw/zinc/16/17/07/690161707.db2.gz GHBBDUGQHNSAKL-OAHLLOKOSA-N -1 3 368.231 2.073 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)nc1 ZINC000053697449 540550000 /nfs/dbraw/zinc/55/00/00/540550000.db2.gz KMADLENWFKVTHX-UHFFFAOYSA-N -1 3 367.858 2.050 20 10 FECDHM CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000175715627 546338412 /nfs/dbraw/zinc/33/84/12/546338412.db2.gz WGMBYJZBLCKTCV-IAGOWNOFSA-N -1 3 351.418 2.486 20 10 FECDHM Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(F)c(F)c3[O-])C2=O)n(C)n1 ZINC000187791090 548263961 /nfs/dbraw/zinc/26/39/61/548263961.db2.gz HLRFPVRHKSOOLD-GWCFXTLKSA-N -1 3 350.369 2.168 20 10 FECDHM C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)cc1[O-] ZINC000189165837 548297994 /nfs/dbraw/zinc/29/79/94/548297994.db2.gz PEEWEGQWJDCCAS-GFCCVEGCSA-N -1 3 353.415 2.148 20 10 FECDHM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c([O-])c1O ZINC000248414083 549432907 /nfs/dbraw/zinc/43/29/07/549432907.db2.gz MEWCJXNUXLFJOP-RHSMWYFYSA-N -1 3 355.438 2.442 20 10 FECDHM CCc1nc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cs1 ZINC000264972359 550004290 /nfs/dbraw/zinc/00/42/90/550004290.db2.gz YNLPSEVPHSFBQD-VIFPVBQESA-N -1 3 369.468 2.274 20 10 FECDHM COCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000267427161 550031760 /nfs/dbraw/zinc/03/17/60/550031760.db2.gz BOUOPBXQBMAKJH-GXTWGEPZSA-N -1 3 366.433 2.097 20 10 FECDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(C)c2[O-])[C@H](C(=O)OC)C1 ZINC000272536323 550456491 /nfs/dbraw/zinc/45/64/91/550456491.db2.gz OGAXXDNICMQTON-FZMZJTMJSA-N -1 3 355.818 2.281 20 10 FECDHM CNC(=O)COc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000273395357 550497061 /nfs/dbraw/zinc/49/70/61/550497061.db2.gz FMXMXTBKRVIRJV-LBPRGKRZSA-N -1 3 358.394 2.477 20 10 FECDHM C[C@@H](NCc1cccnc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273411010 550497687 /nfs/dbraw/zinc/49/76/87/550497687.db2.gz POXBMMHSEUWBIR-CYBMUJFWSA-N -1 3 358.398 2.383 20 10 FECDHM C[C@H]1CN(CC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)C[C@H](C)O1 ZINC000276575010 550579057 /nfs/dbraw/zinc/57/90/57/550579057.db2.gz KXRUDTXMSYRIKT-STQMWFEESA-N -1 3 366.433 2.198 20 10 FECDHM COc1c([O-])c(CNc2ccc(CS(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000278624672 550805478 /nfs/dbraw/zinc/80/54/78/550805478.db2.gz GBVQJOUUVHYYAS-UHFFFAOYSA-N -1 3 366.395 2.466 20 10 FECDHM Cc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000281051341 551058429 /nfs/dbraw/zinc/05/84/29/551058429.db2.gz SDMIIECSNGBDIH-MLGOLLRUSA-N -1 3 363.435 2.310 20 10 FECDHM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)c([O-])c1O ZINC000282463613 551232886 /nfs/dbraw/zinc/23/28/86/551232886.db2.gz NBGIMQSNOQWKQZ-AWEZNQCLSA-N -1 3 355.394 2.442 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@]1(C)CCC(=O)NC1 ZINC000282595122 551250093 /nfs/dbraw/zinc/25/00/93/551250093.db2.gz DBXMOECUOVRYQX-MRXNPFEDSA-N -1 3 369.259 2.420 20 10 FECDHM Cc1cc(N2CC[C@@H](NCc3cc(Cl)c(F)cc3[O-])C2=O)n(C)n1 ZINC000293733194 552851235 /nfs/dbraw/zinc/85/12/35/552851235.db2.gz WOPIJEXPLJSOCS-CYBMUJFWSA-N -1 3 352.797 2.122 20 10 FECDHM COc1cc(Cl)cc(CN2CCCN(CC(=O)NC(C)C)CC2)c1[O-] ZINC000368626886 556367757 /nfs/dbraw/zinc/36/77/57/556367757.db2.gz VECQFSDKPLJHFH-UHFFFAOYSA-N -1 3 369.893 2.087 20 10 FECDHM CCCn1nc2c(cc1=O)CN(Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000370217031 556813866 /nfs/dbraw/zinc/81/38/66/556813866.db2.gz WWZIXQMTWBCUIW-UHFFFAOYSA-N -1 3 359.401 2.259 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC3(CC2)SCC(=O)N3C)c1[O-] ZINC000371788630 557293696 /nfs/dbraw/zinc/29/36/96/557293696.db2.gz NXBQWWFRNTURIX-UHFFFAOYSA-N -1 3 352.431 2.231 20 10 FECDHM COc1c([O-])c(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000375716517 558072208 /nfs/dbraw/zinc/07/22/08/558072208.db2.gz CGFMLNWKVYPISS-BPLDGKMQSA-N -1 3 352.387 2.077 20 10 FECDHM COCc1nc([C@@H]2COCCN2Cc2cc(Cl)cc(C)c2[O-])no1 ZINC000376162526 558135385 /nfs/dbraw/zinc/13/53/85/558135385.db2.gz MMDDABPKADQPKJ-ZDUSSCGKSA-N -1 3 353.806 2.457 20 10 FECDHM COc1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000737098962 598352904 /nfs/dbraw/zinc/35/29/04/598352904.db2.gz ILTHCKQKTXMKSP-UHFFFAOYSA-N -1 3 351.414 2.351 20 10 FECDHM COc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000737098962 598352907 /nfs/dbraw/zinc/35/29/07/598352907.db2.gz ILTHCKQKTXMKSP-UHFFFAOYSA-N -1 3 351.414 2.351 20 10 FECDHM CCCN(Cc1ccccc1O)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736481100 598423064 /nfs/dbraw/zinc/42/30/64/598423064.db2.gz TZJMVEDNMCLTER-UHFFFAOYSA-N -1 3 367.409 2.390 20 10 FECDHM CCCN(Cc1ccccc1O)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736481100 598423066 /nfs/dbraw/zinc/42/30/66/598423066.db2.gz TZJMVEDNMCLTER-UHFFFAOYSA-N -1 3 367.409 2.390 20 10 FECDHM O=C([O-])N1CC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000831948431 605854190 /nfs/dbraw/zinc/85/41/90/605854190.db2.gz VBWINDYVEXLHEK-LSDHHAIUSA-N -1 3 353.850 2.352 20 10 FECDHM O=C([O-])N1CC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000831948429 605854202 /nfs/dbraw/zinc/85/42/02/605854202.db2.gz VBWINDYVEXLHEK-GJZGRUSLSA-N -1 3 353.850 2.352 20 10 FECDHM COc1ccc(N2CCC(Nc3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826209129 607841509 /nfs/dbraw/zinc/84/15/09/607841509.db2.gz OBBDASKVQLSAGN-UHFFFAOYSA-N -1 3 351.414 2.351 20 10 FECDHM COc1ccc(N2CCC(Nc3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826209129 607841510 /nfs/dbraw/zinc/84/15/10/607841510.db2.gz OBBDASKVQLSAGN-UHFFFAOYSA-N -1 3 351.414 2.351 20 10 FECDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1cc(O)c(O)c(OC)c1 ZINC000825782881 607975327 /nfs/dbraw/zinc/97/53/27/607975327.db2.gz SVPXKNDEIGGCJP-UHFFFAOYSA-N -1 3 352.354 2.323 20 10 FECDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc(O)c(O)c(OC)c1 ZINC000825782881 607975328 /nfs/dbraw/zinc/97/53/28/607975328.db2.gz SVPXKNDEIGGCJP-UHFFFAOYSA-N -1 3 352.354 2.323 20 10 FECDHM COCCN(C(=O)C=Cc1cnccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157408 609502276 /nfs/dbraw/zinc/50/22/76/609502276.db2.gz UOTMIANHGGLFTE-VMPITWQZSA-N -1 3 364.409 2.263 20 10 FECDHM COCCN(C(=O)C=Cc1cnccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157408 609502278 /nfs/dbraw/zinc/50/22/78/609502278.db2.gz UOTMIANHGGLFTE-VMPITWQZSA-N -1 3 364.409 2.263 20 10 FECDHM Cc1cc(NC(=O)CN2CCN(Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000123131583 671975661 /nfs/dbraw/zinc/97/56/61/671975661.db2.gz IOUVEBGGZPXIFK-UHFFFAOYSA-N -1 3 364.833 2.098 20 10 FECDHM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCCSCC2)c1 ZINC000123965838 671988186 /nfs/dbraw/zinc/98/81/86/671988186.db2.gz DQXDBPSQCGEIHG-UHFFFAOYSA-N -1 3 364.511 2.366 20 10 FECDHM Cn1ccnc1CN1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824719432 675618267 /nfs/dbraw/zinc/61/82/67/675618267.db2.gz FDSKATHYHRGZSB-UHFFFAOYSA-N -1 3 365.275 2.206 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](N3CCOC3=O)C2)c1 ZINC000827000210 675722353 /nfs/dbraw/zinc/72/23/53/675722353.db2.gz IJEQRZKOQSQBPJ-LBPRGKRZSA-N -1 3 355.232 2.490 20 10 FECDHM COC(=O)CN(CCC(=O)N1CCCC1)Cc1cc(Cl)ccc1[O-] ZINC000838893525 680725943 /nfs/dbraw/zinc/72/59/43/680725943.db2.gz DKSHISBBXNIFCW-UHFFFAOYSA-N -1 3 354.834 2.033 20 10 FECDHM Cc1cc([O-])c(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)c(Cl)c1 ZINC000840910981 680852180 /nfs/dbraw/zinc/85/21/80/680852180.db2.gz ZGKAEKSCUZAITN-CYBMUJFWSA-N -1 3 351.878 2.139 20 10 FECDHM COC(=O)[C@H]1CSCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000840978936 680858477 /nfs/dbraw/zinc/85/84/77/680858477.db2.gz XPTGSPRTLYPGKO-SNVBAGLBSA-N -1 3 360.819 2.292 20 10 FECDHM C[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756743920 680495967 /nfs/dbraw/zinc/49/59/67/680495967.db2.gz XOEIJORFGRUUGD-NSHDSACASA-N -1 3 362.407 2.481 20 10 FECDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000844665285 681073074 /nfs/dbraw/zinc/07/30/74/681073074.db2.gz DORJVXYZFOBUQU-UHFFFAOYSA-N -1 3 367.448 2.184 20 10 FECDHM C[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000874482649 685400125 /nfs/dbraw/zinc/40/01/25/685400125.db2.gz WQFPJFDWWKTMMD-CYBMUJFWSA-N -1 3 366.361 2.178 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCS(=O)(=O)C[C@@H]2C2CC2)c1[O-] ZINC000933921042 681483683 /nfs/dbraw/zinc/48/36/83/681483683.db2.gz AAQABLRTFNDSFK-MRXNPFEDSA-N -1 3 355.431 2.133 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C(=O)OC(C)(C)C)c1[O-] ZINC000852239684 682246228 /nfs/dbraw/zinc/24/62/28/682246228.db2.gz RSYYXBQWKIAJCZ-HNNXBMFYSA-N -1 3 353.390 2.276 20 10 FECDHM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790570832 682685673 /nfs/dbraw/zinc/68/56/73/682685673.db2.gz HLRTZJQIZRXSOA-LBPRGKRZSA-N -1 3 350.415 2.475 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCC3(CC3(F)F)CC2)c1 ZINC000855960146 682729665 /nfs/dbraw/zinc/72/96/65/682729665.db2.gz HCLGVWPWPUPKRB-UHFFFAOYSA-N -1 3 374.409 2.462 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CC2(Cl)Cl)c1 ZINC000857378592 682884511 /nfs/dbraw/zinc/88/45/11/682884511.db2.gz IJUOROYAEIFKJH-QMMMGPOBSA-N -1 3 367.254 2.077 20 10 FECDHM C[C@@H](N[C@H](CO)c1ccnn1C)c1cc(Br)cc(F)c1[O-] ZINC000858434412 682967811 /nfs/dbraw/zinc/96/78/11/682967811.db2.gz GKDWCTWRNGGTQE-PRHODGIISA-N -1 3 358.211 2.412 20 10 FECDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1c([O-])cccc1Br ZINC000862245209 683557900 /nfs/dbraw/zinc/55/79/00/683557900.db2.gz KDHRQUNRWSHZFW-SNVBAGLBSA-N -1 3 350.278 2.410 20 10 FECDHM O=C(NCCCn1cc(Br)cn1)NCc1c([O-])cccc1F ZINC000922498590 683736264 /nfs/dbraw/zinc/73/62/64/683736264.db2.gz VYIKOGJIYNPHJW-UHFFFAOYSA-N -1 3 371.210 2.380 20 10 FECDHM CC(C)N1CCC[C@H]1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911360807 685202976 /nfs/dbraw/zinc/20/29/76/685202976.db2.gz XZYKSZSNBUKFDV-AWEZNQCLSA-N -1 3 354.834 2.332 20 10 FECDHM CONC(=O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895471071 689722110 /nfs/dbraw/zinc/72/21/10/689722110.db2.gz QADJTULBUZUISV-UHFFFAOYSA-N -1 3 361.211 2.183 20 10 FECDHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccc(N(C)C)cc2)N(C)C)sn1 ZINC000908459757 691683648 /nfs/dbraw/zinc/68/36/48/691683648.db2.gz JNFOFYFMIGLWMQ-OAHLLOKOSA-N -1 3 368.528 2.099 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000053697524 540549874 /nfs/dbraw/zinc/54/98/74/540549874.db2.gz JLOSXLRDHZTCPE-UHFFFAOYSA-N -1 3 368.405 2.280 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000092070006 542843287 /nfs/dbraw/zinc/84/32/87/542843287.db2.gz ZMCFUYIWWPQUAA-LLVKDONJSA-N -1 3 351.794 2.458 20 10 FECDHM C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)N(C)Cc1ccccc1[O-] ZINC000109772668 543338371 /nfs/dbraw/zinc/33/83/71/543338371.db2.gz ZALUGXLHNGSVPE-ZDUSSCGKSA-N -1 3 362.451 2.255 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC(c3ccnn3CCO)CC2)c1[O-] ZINC000175619832 546322160 /nfs/dbraw/zinc/32/21/60/546322160.db2.gz GDOFKXPAJOFFOC-UHFFFAOYSA-N -1 3 361.417 2.302 20 10 FECDHM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)c([O-])c1O ZINC000179494649 546965704 /nfs/dbraw/zinc/96/57/04/546965704.db2.gz IQCHRSUHTHXILL-HNNXBMFYSA-N -1 3 358.369 2.423 20 10 FECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c([O-])c1O ZINC000181890812 547399115 /nfs/dbraw/zinc/39/91/15/547399115.db2.gz AMBFKUVJPCOIQO-UHFFFAOYSA-N -1 3 358.369 2.144 20 10 FECDHM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(O)c1[O-] ZINC000188337637 548278115 /nfs/dbraw/zinc/27/81/15/548278115.db2.gz ZQXSTCJXIIAKJJ-MRXNPFEDSA-N -1 3 354.406 2.061 20 10 FECDHM Cc1cc(N2CC[C@H](NCc3c([O-])ccc(Cl)c3F)C2=O)n(C)n1 ZINC000191228410 548341999 /nfs/dbraw/zinc/34/19/99/548341999.db2.gz NVQKIGVZEZROCU-LBPRGKRZSA-N -1 3 352.797 2.122 20 10 FECDHM O=C(Cc1ccccc1Cl)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192990967 548378262 /nfs/dbraw/zinc/37/82/62/548378262.db2.gz XWUPDSVQYZDOSR-UHFFFAOYSA-N -1 3 374.824 2.278 20 10 FECDHM COc1ccc(N2CCCN(C(=O)c3ccc4n[n-]nc4c3)CC2)cc1 ZINC000194409623 548478017 /nfs/dbraw/zinc/47/80/17/548478017.db2.gz YPJXCRNXKKZRIO-UHFFFAOYSA-N -1 3 351.410 2.319 20 10 FECDHM COC(=O)Nc1ccc(CNC(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000264733978 550000055 /nfs/dbraw/zinc/00/00/55/550000055.db2.gz RRKAQNKDMKWJAI-UHFFFAOYSA-N -1 3 357.410 2.319 20 10 FECDHM CC(C)(C)OC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000268303762 550047037 /nfs/dbraw/zinc/04/70/37/550047037.db2.gz NOFNVEKLHXDKOX-UHFFFAOYSA-N -1 3 370.471 2.183 20 10 FECDHM COCCn1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cn1 ZINC000271183836 550349652 /nfs/dbraw/zinc/34/96/52/550349652.db2.gz MWHZYQDCRQYBSO-UHFFFAOYSA-N -1 3 367.833 2.064 20 10 FECDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)c1cccnc1 ZINC000271375779 550370093 /nfs/dbraw/zinc/37/00/93/550370093.db2.gz ZVNWHLCJBNWRSA-GFCCVEGCSA-N -1 3 363.439 2.382 20 10 FECDHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])CCN1c1nccn2cnnc12 ZINC000271834326 550404937 /nfs/dbraw/zinc/40/49/37/550404937.db2.gz PGKCBYZVFPARMC-LBPRGKRZSA-N -1 3 358.833 2.194 20 10 FECDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000274418089 550536827 /nfs/dbraw/zinc/53/68/27/550536827.db2.gz DACMNTQZJKKHRW-UHFFFAOYSA-N -1 3 355.438 2.237 20 10 FECDHM COc1ccc(OC)c(CN2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000274895014 550563287 /nfs/dbraw/zinc/56/32/87/550563287.db2.gz NJCITKQWHHDMOK-UHFFFAOYSA-N -1 3 372.421 2.073 20 10 FECDHM C[C@@H]1CN(CC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)C[C@H](C)O1 ZINC000276574998 550579104 /nfs/dbraw/zinc/57/91/04/550579104.db2.gz KXRUDTXMSYRIKT-BETUJISGSA-N -1 3 366.433 2.198 20 10 FECDHM CC[C@@H](C)NC(=O)CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277442087 550671043 /nfs/dbraw/zinc/67/10/43/550671043.db2.gz SIFLHWCOHYXNHZ-LLVKDONJSA-N -1 3 367.833 2.115 20 10 FECDHM COc1c([O-])c(CNc2ccc(NC(=O)CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278902353 550834305 /nfs/dbraw/zinc/83/43/05/550834305.db2.gz RGIGYEUZMCLDPN-UHFFFAOYSA-N -1 3 374.397 2.421 20 10 FECDHM COc1c([O-])c(CNc2ccccc2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278902514 550834322 /nfs/dbraw/zinc/83/43/22/550834322.db2.gz RIRJFUWTMFCYAJ-UHFFFAOYSA-N -1 3 366.395 2.466 20 10 FECDHM COc1c([O-])c(CN[C@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000278910993 550835108 /nfs/dbraw/zinc/83/51/08/550835108.db2.gz SKWJHDPCGMAQQD-AWEZNQCLSA-N -1 3 357.366 2.204 20 10 FECDHM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000365680783 555639476 /nfs/dbraw/zinc/63/94/76/555639476.db2.gz SANTYQUPGOGIKZ-QLJPJBMISA-N -1 3 362.407 2.016 20 10 FECDHM CCN(Cc1nnc2n1CCOC2)Cc1cc(Br)ccc1[O-] ZINC000366685870 555908908 /nfs/dbraw/zinc/90/89/08/555908908.db2.gz UTJCYUKLYOXVAP-UHFFFAOYSA-N -1 3 367.247 2.299 20 10 FECDHM CCCOc1ccc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)c([O-])c1 ZINC000367433144 556047258 /nfs/dbraw/zinc/04/72/58/556047258.db2.gz UBVMSSWUVMJGDK-LJQANCHMSA-N -1 3 362.470 2.394 20 10 FECDHM COCC(=O)N1CCc2c1cccc2NC(=O)c1ccc(C)c(O)c1[O-] ZINC000368217806 556251024 /nfs/dbraw/zinc/25/10/24/556251024.db2.gz AMAXTJHVFUEGJC-UHFFFAOYSA-N -1 3 356.378 2.194 20 10 FECDHM Cc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)c([O-])c1O ZINC000371675096 557259479 /nfs/dbraw/zinc/25/94/79/557259479.db2.gz JUSTYQODYDOTGH-HNNXBMFYSA-N -1 3 358.438 2.271 20 10 FECDHM [O-]c1cc2c(cc1CN1CCn3c(Cc4ccccc4)nnc3C1)OCO2 ZINC000371813275 557300790 /nfs/dbraw/zinc/30/07/90/557300790.db2.gz AHXCGZUOZRCQHD-UHFFFAOYSA-N -1 3 364.405 2.319 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1C[C@H]2OCCC[C@H]21 ZINC000372889217 557582930 /nfs/dbraw/zinc/58/29/30/557582930.db2.gz GOSQXZHHJDJFAN-GZBFAFLISA-N -1 3 350.802 2.377 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000376938459 558241942 /nfs/dbraw/zinc/24/19/42/558241942.db2.gz YWTJESQEIUBLNB-UHFFFAOYSA-N -1 3 360.439 2.333 20 10 FECDHM COc1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1O ZINC000737132112 598265787 /nfs/dbraw/zinc/26/57/87/598265787.db2.gz VYKMRAKITXENGE-UHFFFAOYSA-N -1 3 354.370 2.211 20 10 FECDHM COc1cccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1O ZINC000737132112 598265790 /nfs/dbraw/zinc/26/57/90/598265790.db2.gz VYKMRAKITXENGE-UHFFFAOYSA-N -1 3 354.370 2.211 20 10 FECDHM CN(C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)S(C)(=O)=O ZINC000809689099 674505173 /nfs/dbraw/zinc/50/51/73/674505173.db2.gz TYDLAXCIXREHJH-NSHDSACASA-N -1 3 364.870 2.288 20 10 FECDHM CN(C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1)S(C)(=O)=O ZINC000809688987 674505311 /nfs/dbraw/zinc/50/53/11/674505311.db2.gz SRPOBJNOJZEFAQ-LLVKDONJSA-N -1 3 364.870 2.288 20 10 FECDHM Cc1cc(C(=O)N(C)CC(C)(C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168790 606297578 /nfs/dbraw/zinc/29/75/78/606297578.db2.gz SKSQVXJGINCPKF-UHFFFAOYSA-N -1 3 368.441 2.117 20 10 FECDHM O=C1[C@@H](Sc2nccs2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823513078 606311838 /nfs/dbraw/zinc/31/18/38/606311838.db2.gz SIGRVSZNDLZFTG-QMMMGPOBSA-N -1 3 350.454 2.282 20 10 FECDHM O=C1[C@@H](Sc2nccs2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823513078 606311839 /nfs/dbraw/zinc/31/18/39/606311839.db2.gz SIGRVSZNDLZFTG-QMMMGPOBSA-N -1 3 350.454 2.282 20 10 FECDHM Cc1cc(C(=O)N[C@H]2CCO[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259311 608206690 /nfs/dbraw/zinc/20/66/90/608206690.db2.gz OFGQVJVTUHZXJW-DYVFJYSZSA-N -1 3 366.425 2.181 20 10 FECDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023397983 670048632 /nfs/dbraw/zinc/04/86/32/670048632.db2.gz JLQCHALBDWVPJS-UHFFFAOYSA-N -1 3 370.452 2.258 20 10 FECDHM CCC(C)(C)NC(=O)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000109779840 670844989 /nfs/dbraw/zinc/84/49/89/670844989.db2.gz NQXXCLBZFPWANW-UHFFFAOYSA-N -1 3 356.850 2.325 20 10 FECDHM O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179877420 672406630 /nfs/dbraw/zinc/40/66/30/672406630.db2.gz RSIVCWMFDOPEEL-UHFFFAOYSA-N -1 3 368.405 2.177 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(F)c(F)c2)c1 ZINC000191647178 672672253 /nfs/dbraw/zinc/67/22/53/672672253.db2.gz IOHYYNGCLVMVOQ-UHFFFAOYSA-N -1 3 370.377 2.014 20 10 FECDHM [O-]c1cc(Br)ccc1C[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000826535446 675690647 /nfs/dbraw/zinc/69/06/47/675690647.db2.gz XCAIQZQFERCMDG-GFCCVEGCSA-N -1 3 353.220 2.414 20 10 FECDHM COc1ccc(N2CCC([N-]S(=O)(=O)c3cscn3)CC2)cc1 ZINC000827091314 675728502 /nfs/dbraw/zinc/72/85/02/675728502.db2.gz RDMOXCIONBVYML-UHFFFAOYSA-N -1 3 353.469 2.099 20 10 FECDHM Cn1ccnc1N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000827884954 675785239 /nfs/dbraw/zinc/78/52/39/675785239.db2.gz MJPABUOUKAAOAI-UHFFFAOYSA-N -1 3 351.248 2.210 20 10 FECDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000764934678 680824775 /nfs/dbraw/zinc/82/47/75/680824775.db2.gz HPEMQWJECDSZTQ-UHFFFAOYSA-N -1 3 358.419 2.337 20 10 FECDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCCCO1 ZINC000759093009 680625971 /nfs/dbraw/zinc/62/59/71/680625971.db2.gz HHRWSZPECXNOCQ-OAHLLOKOSA-N -1 3 370.471 2.089 20 10 FECDHM O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1cccc(O)c1[O-] ZINC000776647244 681422365 /nfs/dbraw/zinc/42/23/65/681422365.db2.gz DBFIISHVBXSPEV-ZDUSSCGKSA-N -1 3 362.382 2.391 20 10 FECDHM CCC(=O)NCc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1OC ZINC000776745552 681432733 /nfs/dbraw/zinc/43/27/33/681432733.db2.gz MJZBHGUIGURFQL-UHFFFAOYSA-N -1 3 364.423 2.228 20 10 FECDHM CCOC(=O)c1cnc(N2CCN(Cc3cc(F)ccc3[O-])CC2)s1 ZINC000779022802 681672819 /nfs/dbraw/zinc/67/28/19/681672819.db2.gz HCGONMGWMVHVDG-UHFFFAOYSA-N -1 3 365.430 2.487 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000781902234 681986989 /nfs/dbraw/zinc/98/69/89/681986989.db2.gz OXSXSQNSTYCRJZ-ZDUSSCGKSA-N -1 3 368.275 2.453 20 10 FECDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(Cl)cn1 ZINC000788606424 682542184 /nfs/dbraw/zinc/54/21/84/682542184.db2.gz GJDYBLXMNRIKQY-SECBINFHSA-N -1 3 369.830 2.303 20 10 FECDHM C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1cc(F)cc(F)c1[O-] ZINC000790758014 682699556 /nfs/dbraw/zinc/69/95/56/682699556.db2.gz NEAVSJDUFZKQBV-NSHDSACASA-N -1 3 371.405 2.287 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2c(F)cccc2Cl)c1 ZINC000919812167 683300359 /nfs/dbraw/zinc/30/03/59/683300359.db2.gz MROOGZOTIOEWJE-UHFFFAOYSA-N -1 3 372.805 2.486 20 10 FECDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000863405571 683717125 /nfs/dbraw/zinc/71/71/25/683717125.db2.gz ZBIIQPRASNMHDR-UHFFFAOYSA-N -1 3 358.419 2.337 20 10 FECDHM [O-]c1ccc(Br)cc1CNCc1cn(C[C@H]2CCCO2)nn1 ZINC000877520891 686400331 /nfs/dbraw/zinc/40/03/31/686400331.db2.gz JXJFYEFWWHAUQA-CQSZACIVSA-N -1 3 367.247 2.215 20 10 FECDHM O=S1(=O)C[C@@H]2CCN(Cc3cc(Br)ccc3[O-])C[C@H]2C1 ZINC000877791914 686462947 /nfs/dbraw/zinc/46/29/47/686462947.db2.gz KXJQRLQMPLPDLD-JQWIXIFHSA-N -1 3 360.273 2.021 20 10 FECDHM COC(=O)CN(Cc1c2c(nn1C)CCC2)Cc1cc(Cl)ccc1[O-] ZINC000891993024 689136915 /nfs/dbraw/zinc/13/69/15/689136915.db2.gz RDGPVSRPDYMYDN-UHFFFAOYSA-N -1 3 363.845 2.443 20 10 FECDHM Cn1nccc1[C@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000897561349 690040006 /nfs/dbraw/zinc/04/00/06/690040006.db2.gz CBWXWHNACGEXAQ-OAHLLOKOSA-N -1 3 352.232 2.462 20 10 FECDHM CN(CCc1cccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000075201214 542159464 /nfs/dbraw/zinc/15/94/64/542159464.db2.gz QTUAQJDVTUPKAY-UHFFFAOYSA-N -1 3 354.453 2.140 20 10 FECDHM COCCCNC(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079401835 542517036 /nfs/dbraw/zinc/51/70/36/542517036.db2.gz ZOJUZXXFOMDXPC-UHFFFAOYSA-N -1 3 366.433 2.099 20 10 FECDHM O=C1NCCN1[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000092188234 542847828 /nfs/dbraw/zinc/84/78/28/542847828.db2.gz IFDFCKWFSOQTKT-ZDUSSCGKSA-N -1 3 354.248 2.144 20 10 FECDHM C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N(C)Cc1ccccc1[O-] ZINC000109772672 543338329 /nfs/dbraw/zinc/33/83/29/543338329.db2.gz ZALUGXLHNGSVPE-CYBMUJFWSA-N -1 3 362.451 2.255 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000111646883 543410264 /nfs/dbraw/zinc/41/02/64/543410264.db2.gz YVWDWYSZRMTEJL-ZFWWWQNUSA-N -1 3 360.435 2.297 20 10 FECDHM CCCN(Cc1cc(C)cc(Br)c1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000802656217 674190433 /nfs/dbraw/zinc/19/04/33/674190433.db2.gz MACABHREEWUVSL-ZDUSSCGKSA-N -1 3 369.259 2.432 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)C(=O)N(C)C ZINC000173977960 546288919 /nfs/dbraw/zinc/28/89/19/546288919.db2.gz UMMFEXAHQJLSPJ-SNVBAGLBSA-N -1 3 372.263 2.163 20 10 FECDHM COC(=O)C[C@H]1CN(Cc2cc(Br)cc(C)c2[O-])CCO1 ZINC000180286784 547079788 /nfs/dbraw/zinc/07/97/88/547079788.db2.gz XFUCXSUKCBBTFS-ZDUSSCGKSA-N -1 3 358.232 2.227 20 10 FECDHM O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(O)c1[O-] ZINC000186765777 548189121 /nfs/dbraw/zinc/18/91/21/548189121.db2.gz UHOQUBBWVFEXRC-MRXNPFEDSA-N -1 3 360.385 2.040 20 10 FECDHM Cc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c([O-])c1O ZINC000272755012 550468977 /nfs/dbraw/zinc/46/89/77/550468977.db2.gz KJMUFLHXZYBTTL-INIZCTEOSA-N -1 3 370.405 2.454 20 10 FECDHM Cc1csc([C@@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000273372536 550496021 /nfs/dbraw/zinc/49/60/21/550496021.db2.gz GIBYOCYRSISNGZ-VIFPVBQESA-N -1 3 369.468 2.062 20 10 FECDHM COCCOc1ncccc1CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273402606 550497238 /nfs/dbraw/zinc/49/72/38/550497238.db2.gz NOOXCTDYRZEGRQ-ZDUSSCGKSA-N -1 3 360.410 2.450 20 10 FECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCC(=O)NCCc2ccccc2)c1 ZINC000273477815 550500224 /nfs/dbraw/zinc/50/02/24/550500224.db2.gz LFBWVIXUNUUCOO-CQSZACIVSA-N -1 3 356.422 2.188 20 10 FECDHM CN(C[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1)S(C)(=O)=O ZINC000294687411 552926872 /nfs/dbraw/zinc/92/68/72/552926872.db2.gz NHCYWPOSSOAOGX-LLVKDONJSA-N -1 3 364.870 2.288 20 10 FECDHM Cn1cncc1[C@@H]1NC(=O)CC[C@H]1NCc1c([O-])ccc(Cl)c1F ZINC000375247994 557998231 /nfs/dbraw/zinc/99/82/31/557998231.db2.gz IMQBFAXVYPADMF-BDJLRTHQSA-N -1 3 352.797 2.028 20 10 FECDHM Cc1cc(C(=O)NC[C@H](O)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168750 607324849 /nfs/dbraw/zinc/32/48/49/607324849.db2.gz QOMRAYLJHKTIRJ-KRWDZBQOSA-N -1 3 368.441 2.021 20 10 FECDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738103526 598462821 /nfs/dbraw/zinc/46/28/21/598462821.db2.gz LAUIMIWAICIXMI-UHFFFAOYSA-N -1 3 363.425 2.182 20 10 FECDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738103526 598462823 /nfs/dbraw/zinc/46/28/23/598462823.db2.gz LAUIMIWAICIXMI-UHFFFAOYSA-N -1 3 363.425 2.182 20 10 FECDHM Cc1noc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000737545406 598611089 /nfs/dbraw/zinc/61/10/89/598611089.db2.gz FJCGRIILWPNXMX-UHFFFAOYSA-N -1 3 364.369 2.218 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826210500 607461718 /nfs/dbraw/zinc/46/17/18/607461718.db2.gz UHTSJPQFMFBPAP-NSHDSACASA-N -1 3 353.382 2.380 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826210500 607461719 /nfs/dbraw/zinc/46/17/19/607461719.db2.gz UHTSJPQFMFBPAP-NSHDSACASA-N -1 3 353.382 2.380 20 10 FECDHM O=C(COc1ccc(N2CCCC2)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823040173 606617503 /nfs/dbraw/zinc/61/75/03/606617503.db2.gz DZQZNLKKGAUUPM-UHFFFAOYSA-N -1 3 364.409 2.484 20 10 FECDHM O=C(COc1ccc(N2CCCC2)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823040173 606617505 /nfs/dbraw/zinc/61/75/05/606617505.db2.gz DZQZNLKKGAUUPM-UHFFFAOYSA-N -1 3 364.409 2.484 20 10 FECDHM Cc1cc(C(=O)N[C@H](C)[C@H](C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258144 607941369 /nfs/dbraw/zinc/94/13/69/607941369.db2.gz BHNFXPHKUCWZCV-DGCLKSJQSA-N -1 3 368.441 2.021 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1F ZINC000825418288 609210966 /nfs/dbraw/zinc/21/09/66/609210966.db2.gz ZHKOEGMZDFNQDZ-UHFFFAOYSA-N -1 3 357.393 2.110 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1F ZINC000825418288 609210967 /nfs/dbraw/zinc/21/09/67/609210967.db2.gz ZHKOEGMZDFNQDZ-UHFFFAOYSA-N -1 3 357.393 2.110 20 10 FECDHM COC1(C)CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000826143932 609261280 /nfs/dbraw/zinc/26/12/80/609261280.db2.gz WTFWBOUTVPDNIE-UHFFFAOYSA-N -1 3 366.425 2.135 20 10 FECDHM COC(=O)CN(CC(=O)N1CCC(C)CC1)Cc1cc(Cl)ccc1[O-] ZINC000109779851 670844753 /nfs/dbraw/zinc/84/47/53/670844753.db2.gz ABJXMPMOYGWZMZ-UHFFFAOYSA-N -1 3 368.861 2.279 20 10 FECDHM [O-]c1cc(Br)ccc1C[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000826535447 675690582 /nfs/dbraw/zinc/69/05/82/675690582.db2.gz XCAIQZQFERCMDG-LBPRGKRZSA-N -1 3 353.220 2.414 20 10 FECDHM COC[C@]1(C(=O)OC)CCCN1Cc1cc(Br)ccc1[O-] ZINC000827489434 675759996 /nfs/dbraw/zinc/75/99/96/675759996.db2.gz QNIFYRZPENHKPO-HNNXBMFYSA-N -1 3 358.232 2.309 20 10 FECDHM COC(=O)CN(Cc1cn(CC2CC2)nn1)Cc1cc(Cl)ccc1[O-] ZINC000828293096 675811155 /nfs/dbraw/zinc/81/11/55/675811155.db2.gz KLNXJQIPMAMBGI-UHFFFAOYSA-N -1 3 364.833 2.222 20 10 FECDHM CC[C@H](CC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000761021165 680707871 /nfs/dbraw/zinc/70/78/71/680707871.db2.gz LXULNIMRFFBLON-MRVPVSSYSA-N -1 3 354.350 2.225 20 10 FECDHM CNC(=O)NC1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000840974661 680858090 /nfs/dbraw/zinc/85/80/90/680858090.db2.gz MSCCPXRRXCFLLT-UHFFFAOYSA-N -1 3 356.264 2.357 20 10 FECDHM COc1cccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1O ZINC000751304561 680167042 /nfs/dbraw/zinc/16/70/42/680167042.db2.gz BWDMUDSAKPMFAF-UHFFFAOYSA-N -1 3 366.395 2.404 20 10 FECDHM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000751318295 680167720 /nfs/dbraw/zinc/16/77/20/680167720.db2.gz MHGNPQUXMOJLTQ-JTQLQIEISA-N -1 3 352.368 2.349 20 10 FECDHM CC(C)(C)C1CCN(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000788171423 682508996 /nfs/dbraw/zinc/50/89/96/682508996.db2.gz CWBHXSPSNASGIF-UHFFFAOYSA-N -1 3 369.487 2.167 20 10 FECDHM O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000790599129 682687137 /nfs/dbraw/zinc/68/71/37/682687137.db2.gz STHONDMSPFKDFZ-CYBMUJFWSA-N -1 3 357.284 2.460 20 10 FECDHM CO[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000856225817 682755922 /nfs/dbraw/zinc/75/59/22/682755922.db2.gz YXQROGXXXOICTR-INIZCTEOSA-N -1 3 370.471 2.089 20 10 FECDHM Cn1cc(CN2CCN(Cc3c([O-])cccc3Br)CC2)cn1 ZINC000862239048 683556752 /nfs/dbraw/zinc/55/67/52/683556752.db2.gz STGPMHYVIDBGBT-UHFFFAOYSA-N -1 3 365.275 2.206 20 10 FECDHM CCO[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C12CCOCC2 ZINC000922026931 683640982 /nfs/dbraw/zinc/64/09/82/683640982.db2.gz XUFDHZSLDQRFNK-CVEARBPZSA-N -1 3 352.406 2.305 20 10 FECDHM CCc1noc(C[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC000877648406 686429266 /nfs/dbraw/zinc/42/92/66/686429266.db2.gz XPLMCVFPVYQEKL-KRWDZBQOSA-N -1 3 353.369 2.185 20 10 FECDHM COCCS(=O)(=O)c1ccc(CNCc2cc(F)cc(F)c2[O-])cc1 ZINC000883102758 687565279 /nfs/dbraw/zinc/56/52/79/687565279.db2.gz AFCKSUKAWCNIEA-UHFFFAOYSA-N -1 3 371.405 2.380 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCCS(=O)(=O)C[C@H]1c1ccccc1 ZINC000888912096 688702207 /nfs/dbraw/zinc/70/22/07/688702207.db2.gz UZVVENWMWUUWGE-HNNXBMFYSA-N -1 3 361.419 2.100 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccoc2)C2CC2)c1 ZINC000889094664 688729981 /nfs/dbraw/zinc/72/99/81/688729981.db2.gz INPMYQQPAFKPGT-UHFFFAOYSA-N -1 3 350.396 2.162 20 10 FECDHM O=c1[nH]nc2n1CCN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000894467199 689538093 /nfs/dbraw/zinc/53/80/93/689538093.db2.gz XRQXVLINDJRSDT-UHFFFAOYSA-N -1 3 359.611 2.121 20 10 FECDHM COC(=O)[C@](C)(Cn1cccn1)NCc1cc(Br)ccc1[O-] ZINC000898339534 690161144 /nfs/dbraw/zinc/16/11/44/690161144.db2.gz GHBBDUGQHNSAKL-HNNXBMFYSA-N -1 3 368.231 2.073 20 10 FECDHM CN(C)[S@](C)(=O)=NCC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000898400770 690176976 /nfs/dbraw/zinc/17/69/76/690176976.db2.gz GVKFZUVNEFRQBW-XMMPIXPASA-N -1 3 361.458 2.457 20 10 FECDHM CC[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cccc(Cl)c1[O-] ZINC000903225025 690869029 /nfs/dbraw/zinc/86/90/29/690869029.db2.gz DKLZBJGABBQOHI-GFCCVEGCSA-N -1 3 368.908 2.144 20 10 FECDHM Cc1ccc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000076465860 542282589 /nfs/dbraw/zinc/28/25/89/542282589.db2.gz YVMVGYXAHGNWFD-UHFFFAOYSA-N -1 3 354.453 2.406 20 10 FECDHM CCC[C@@H](NC(N)=O)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000120989850 543687089 /nfs/dbraw/zinc/68/70/89/543687089.db2.gz AICLFBNTONHNQV-GFCCVEGCSA-N -1 3 372.263 2.340 20 10 FECDHM Cc1cc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n[nH]1 ZINC000134259564 544300635 /nfs/dbraw/zinc/30/06/35/544300635.db2.gz FFIZRYFZMPUHBM-HNNXBMFYSA-N -1 3 362.861 2.400 20 10 FECDHM Cc1cc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[nH]n1 ZINC000134259564 544300637 /nfs/dbraw/zinc/30/06/37/544300637.db2.gz FFIZRYFZMPUHBM-HNNXBMFYSA-N -1 3 362.861 2.400 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC(CN3CCOCC3)CC2)c1[O-] ZINC000177277168 546585055 /nfs/dbraw/zinc/58/50/55/546585055.db2.gz YEQQTBDTTBIEJL-UHFFFAOYSA-N -1 3 350.434 2.278 20 10 FECDHM O=S(=O)(c1ccc(F)cc1)N1CCCN(Cc2ccccc2[O-])CC1 ZINC000179554367 546976499 /nfs/dbraw/zinc/97/64/99/546976499.db2.gz QFILEDGLLUNRHO-UHFFFAOYSA-N -1 3 364.442 2.428 20 10 FECDHM Cc1cc(Cl)cc(CN2CCN(c3ncnc4c3cnn4C)CC2)c1[O-] ZINC000179659134 546994326 /nfs/dbraw/zinc/99/43/26/546994326.db2.gz CVRWMMZYPSQWTF-UHFFFAOYSA-N -1 3 372.860 2.353 20 10 FECDHM Cn1cccc1[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000180351875 547089302 /nfs/dbraw/zinc/08/93/02/547089302.db2.gz APBUPJYKRBAAQU-HNNXBMFYSA-N -1 3 363.439 2.080 20 10 FECDHM CC(C)NS(=O)(=O)CCN[C@H](C)c1ccc(Br)cc1[O-] ZINC000185971121 548067203 /nfs/dbraw/zinc/06/72/03/548067203.db2.gz VQQVFOSDADZYGK-SNVBAGLBSA-N -1 3 365.293 2.133 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000187567033 548260107 /nfs/dbraw/zinc/26/01/07/548260107.db2.gz UKQHUFGKTOGHNU-UHFFFAOYSA-N -1 3 360.797 2.236 20 10 FECDHM COCCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1 ZINC000268548002 550085403 /nfs/dbraw/zinc/08/54/03/550085403.db2.gz HYNMULKAAKBQKL-UHFFFAOYSA-N -1 3 370.471 2.090 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1cncc(Cl)c1 ZINC000269919812 550236226 /nfs/dbraw/zinc/23/62/26/550236226.db2.gz AROISUIPNMKUQM-UHFFFAOYSA-N -1 3 367.858 2.050 20 10 FECDHM CC(C)N(Cc1ccco1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271307639 550363051 /nfs/dbraw/zinc/36/30/51/550363051.db2.gz RXUHNNJQVZROLI-UHFFFAOYSA-N -1 3 352.412 2.408 20 10 FECDHM C[C@@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273435944 550498561 /nfs/dbraw/zinc/49/85/61/550498561.db2.gz MCDHOUVNAZLWMT-OTYXRUKQSA-N -1 3 374.319 2.135 20 10 FECDHM C[C@@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273435944 550498562 /nfs/dbraw/zinc/49/85/62/550498562.db2.gz MCDHOUVNAZLWMT-OTYXRUKQSA-N -1 3 374.319 2.135 20 10 FECDHM COC(=O)CCCCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000275582202 550572972 /nfs/dbraw/zinc/57/29/72/550572972.db2.gz JCNGZZDJSRNRIJ-UHFFFAOYSA-N -1 3 371.817 2.281 20 10 FECDHM COC(=O)CCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277794081 550714682 /nfs/dbraw/zinc/71/46/82/550714682.db2.gz LJAICUHQACUZDP-UHFFFAOYSA-N -1 3 354.790 2.153 20 10 FECDHM C[C@H](N[C@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(F)c(F)c1[O-] ZINC000278975756 550842393 /nfs/dbraw/zinc/84/23/93/550842393.db2.gz OCOPIHQENDCCSR-RYUDHWBXSA-N -1 3 364.396 2.084 20 10 FECDHM O=S(=O)(C1CCN(Cc2c([O-])cccc2Cl)CC1)N1CCCC1 ZINC000282762705 551267620 /nfs/dbraw/zinc/26/76/20/551267620.db2.gz OYFXRYDPPZBICB-UHFFFAOYSA-N -1 3 358.891 2.436 20 10 FECDHM CS(=O)(=O)CC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000292220456 552705675 /nfs/dbraw/zinc/70/56/75/552705675.db2.gz ADFBXDQNZUWJRP-UHFFFAOYSA-N -1 3 362.289 2.411 20 10 FECDHM Cc1cc(Br)cc(CN2CC[C@H](CS(C)(=O)=O)C2)c1[O-] ZINC000292812756 552761035 /nfs/dbraw/zinc/76/10/35/552761035.db2.gz OXCYMCFAJCRRQH-NSHDSACASA-N -1 3 362.289 2.330 20 10 FECDHM CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1c([O-])cccc1Cl ZINC000293850500 552862268 /nfs/dbraw/zinc/86/22/68/552862268.db2.gz HSLDHFFBGMHYCR-UHFFFAOYSA-N -1 3 370.858 2.204 20 10 FECDHM O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)c1c(F)ccc(O)c1[O-] ZINC000296623467 553189330 /nfs/dbraw/zinc/18/93/30/553189330.db2.gz HGFSVJBDTRRYON-HNNXBMFYSA-N -1 3 374.412 2.258 20 10 FECDHM CNC(=O)CCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000364172414 555262982 /nfs/dbraw/zinc/26/29/82/555262982.db2.gz QKRJFKIRHLWZEP-HNNXBMFYSA-N -1 3 367.877 2.043 20 10 FECDHM COc1c([O-])c(CNCc2ccnc(-n3cccn3)c2)ccc1[N+](=O)[O-] ZINC000365116004 555489192 /nfs/dbraw/zinc/48/91/92/555489192.db2.gz HYUCITUKFXVFEO-UHFFFAOYSA-N -1 3 355.354 2.180 20 10 FECDHM COc1c([O-])c(CNCc2ccc(-n3ccnc3)nc2)ccc1[N+](=O)[O-] ZINC000365798035 555669801 /nfs/dbraw/zinc/66/98/01/555669801.db2.gz SUUGVLSFFJFAHD-UHFFFAOYSA-N -1 3 355.354 2.180 20 10 FECDHM COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000376556285 558190319 /nfs/dbraw/zinc/19/03/19/558190319.db2.gz MCOYRMVDCDKYLT-HNNXBMFYSA-N -1 3 356.378 2.350 20 10 FECDHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)C1=CC(=O)CS1 ZINC000738086344 598718364 /nfs/dbraw/zinc/71/83/64/598718364.db2.gz WMPKILZBNZVJAA-UHFFFAOYSA-N -1 3 361.452 2.297 20 10 FECDHM COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000833733902 605128247 /nfs/dbraw/zinc/12/82/47/605128247.db2.gz VDKUJXVBDLWLNU-OLZOCXBDSA-N -1 3 372.421 2.455 20 10 FECDHM COc1ccc(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000826209349 607754071 /nfs/dbraw/zinc/75/40/71/607754071.db2.gz YIBGECUTHQLXEF-MRXNPFEDSA-N -1 3 355.398 2.054 20 10 FECDHM COc1ccc(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826209349 607754072 /nfs/dbraw/zinc/75/40/72/607754072.db2.gz YIBGECUTHQLXEF-MRXNPFEDSA-N -1 3 355.398 2.054 20 10 FECDHM O=C([O-])N1CCC[C@@H]1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000834108478 605500241 /nfs/dbraw/zinc/50/02/41/605500241.db2.gz QPIIQEYRRRMUIH-NVXWUHKLSA-N -1 3 362.426 2.172 20 10 FECDHM O=C([O-])N(CC1CC1)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000834062452 605501141 /nfs/dbraw/zinc/50/11/41/605501141.db2.gz JOJUDWMHONZSGW-KRWDZBQOSA-N -1 3 362.426 2.172 20 10 FECDHM O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823224321 607204658 /nfs/dbraw/zinc/20/46/58/607204658.db2.gz XZJIOXVTNCKZEA-UHFFFAOYSA-N -1 3 374.788 2.296 20 10 FECDHM O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823224321 607204659 /nfs/dbraw/zinc/20/46/59/607204659.db2.gz XZJIOXVTNCKZEA-UHFFFAOYSA-N -1 3 374.788 2.296 20 10 FECDHM CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816488088 675059065 /nfs/dbraw/zinc/05/90/65/675059065.db2.gz IADNTTVGUXBUNS-LBPRGKRZSA-N -1 3 364.870 2.479 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000067594089 670459534 /nfs/dbraw/zinc/45/95/34/670459534.db2.gz DPGLXFKFMWJZBR-HIFRSBDPSA-N -1 3 364.398 2.189 20 10 FECDHM Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)ccc1F ZINC000105590012 670803787 /nfs/dbraw/zinc/80/37/87/670803787.db2.gz NQZOOOHBNYGUMA-UHFFFAOYSA-N -1 3 358.416 2.306 20 10 FECDHM O=C(CN1CCN(Cc2c([O-])cccc2Cl)CC1)N1CCCCC1 ZINC000121853869 671959034 /nfs/dbraw/zinc/95/90/34/671959034.db2.gz GWMQTDYJKROZBU-UHFFFAOYSA-N -1 3 351.878 2.176 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000743711858 673770039 /nfs/dbraw/zinc/77/00/39/673770039.db2.gz DCURYDJQLMJJKP-RWMBFGLXSA-N -1 3 352.456 2.462 20 10 FECDHM COC[C@]1(C(=O)OC)CCCN1Cc1ccc(Br)cc1[O-] ZINC000827489950 675759913 /nfs/dbraw/zinc/75/99/13/675759913.db2.gz YYBHNXLJOVDQCS-HNNXBMFYSA-N -1 3 358.232 2.309 20 10 FECDHM COc1ccc(N2CCC([N-]S(=O)(=O)c3c[nH]nc3Cl)CC2)cc1 ZINC000830352285 677035475 /nfs/dbraw/zinc/03/54/75/677035475.db2.gz JQBDMRWGSUHKQE-UHFFFAOYSA-N -1 3 370.862 2.019 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000839808187 680780664 /nfs/dbraw/zinc/78/06/64/680780664.db2.gz UWAFXDOKEYPLLL-GXTWGEPZSA-N -1 3 352.456 2.320 20 10 FECDHM COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000874043205 685278470 /nfs/dbraw/zinc/27/84/70/685278470.db2.gz QLXJAIADZLBIIM-OAHLLOKOSA-N -1 3 374.231 2.086 20 10 FECDHM COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000874043205 685278479 /nfs/dbraw/zinc/27/84/79/685278479.db2.gz QLXJAIADZLBIIM-OAHLLOKOSA-N -1 3 374.231 2.086 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750838137 680135633 /nfs/dbraw/zinc/13/56/33/680135633.db2.gz MXGGCYZTALHGRC-HNNXBMFYSA-N -1 3 353.390 2.276 20 10 FECDHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2cc(OC)ccc2O)c1 ZINC000751319039 680167624 /nfs/dbraw/zinc/16/76/24/680167624.db2.gz RFJBXMZJKFKFRU-SECBINFHSA-N -1 3 371.436 2.288 20 10 FECDHM [O-]c1c(Br)cccc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000769330397 680978391 /nfs/dbraw/zinc/97/83/91/680978391.db2.gz WLQJLWTZJILCJV-LSDHHAIUSA-N -1 3 355.276 2.186 20 10 FECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCC(=O)C1 ZINC000843831522 681021005 /nfs/dbraw/zinc/02/10/05/681021005.db2.gz QEVQJRFXTIDWHD-DOMZBBRYSA-N -1 3 350.846 2.495 20 10 FECDHM Cn1nccc1[C@@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000846115270 681184805 /nfs/dbraw/zinc/18/48/05/681184805.db2.gz JQPOPGMYRIKUCK-AWEZNQCLSA-N -1 3 352.232 2.462 20 10 FECDHM COc1c([O-])c(CN2CCC([C@@H](O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000774904975 681248568 /nfs/dbraw/zinc/24/85/68/681248568.db2.gz YLIDSOLZXLNIBP-CQSZACIVSA-N -1 3 364.320 2.444 20 10 FECDHM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cccnc3Cl)C2)cc1 ZINC000849416344 681723175 /nfs/dbraw/zinc/72/31/75/681723175.db2.gz PJQFFGQNINWOFG-GFCCVEGCSA-N -1 3 367.858 2.301 20 10 FECDHM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(O)c1[O-] ZINC000790916883 682712704 /nfs/dbraw/zinc/71/27/04/682712704.db2.gz WCSDUTIUHXNQEW-UHFFFAOYSA-N -1 3 351.305 2.191 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CCC3)C2)c1 ZINC000856174515 682750440 /nfs/dbraw/zinc/75/04/40/682750440.db2.gz ZGJNODPIHPAALI-CYBMUJFWSA-N -1 3 352.456 2.416 20 10 FECDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC(F)(F)F ZINC000856519654 682791743 /nfs/dbraw/zinc/79/17/43/682791743.db2.gz MINSVENKTMVVRI-UHFFFAOYSA-N -1 3 368.377 2.472 20 10 FECDHM Cc1cccc(CS(=O)(=O)CCC(=O)NCc2c([O-])cccc2F)c1 ZINC000928706264 683490941 /nfs/dbraw/zinc/49/09/41/683490941.db2.gz QCULAHOATNRYDX-UHFFFAOYSA-N -1 3 365.426 2.461 20 10 FECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000928712219 683492889 /nfs/dbraw/zinc/49/28/89/683492889.db2.gz OVFPKQZOLUPFRR-NSHDSACASA-N -1 3 364.295 2.311 20 10 FECDHM CN(C)c1cc(F)c(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1F ZINC000864507758 683862581 /nfs/dbraw/zinc/86/25/81/683862581.db2.gz QPUINXMLAKFBMM-CYBMUJFWSA-N -1 3 358.385 2.305 20 10 FECDHM O=S1(=O)C[C@H]2CN(Cc3cc(Br)ccc3[O-])CC[C@@H]2C1 ZINC000877791916 686463048 /nfs/dbraw/zinc/46/30/48/686463048.db2.gz KXJQRLQMPLPDLD-ZYHUDNBSSA-N -1 3 360.273 2.021 20 10 FECDHM [O-]c1c(F)cc(Br)cc1CN1CCN(CCCCO)CC1 ZINC000894022440 689450819 /nfs/dbraw/zinc/45/08/19/689450819.db2.gz ZLUWIUAHHYVNMS-UHFFFAOYSA-N -1 3 361.255 2.184 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000068467090 541596367 /nfs/dbraw/zinc/59/63/67/541596367.db2.gz BRPZZVXVALBTFO-DOOHLRMFSA-N -1 3 364.467 2.414 20 10 FECDHM CCOc1cccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c1O ZINC000092937671 542897457 /nfs/dbraw/zinc/89/74/57/542897457.db2.gz BUUYOTILWVZLNY-UHFFFAOYSA-N -1 3 356.422 2.455 20 10 FECDHM CCOC(=O)c1c[n-]n(C2CCN(Cc3ccc(N(C)C)cc3)CC2)c1=N ZINC000128233557 544040271 /nfs/dbraw/zinc/04/02/71/544040271.db2.gz HZEWZHHHTATCFS-UHFFFAOYSA-N -1 3 371.485 2.375 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(C(=O)OC)CC1 ZINC000134895089 544325731 /nfs/dbraw/zinc/32/57/31/544325731.db2.gz RTPLRPYEBVZLCQ-UHFFFAOYSA-N -1 3 356.216 2.456 20 10 FECDHM Cn1cc(C(=O)NCC2CCN(Cc3cccc(Cl)c3[O-])CC2)cn1 ZINC000179951115 547032412 /nfs/dbraw/zinc/03/24/12/547032412.db2.gz BHNSNSMWLIBXDP-UHFFFAOYSA-N -1 3 362.861 2.421 20 10 FECDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]2CCCC[C@@H]21 ZINC000180548539 547128231 /nfs/dbraw/zinc/12/82/31/547128231.db2.gz YYHAOCXWWCVNTK-UXIGCNINSA-N -1 3 352.456 2.414 20 10 FECDHM CC(=O)NC[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCO1 ZINC000183078602 547598035 /nfs/dbraw/zinc/59/80/35/547598035.db2.gz AJLGLGSMUNFRPC-FQEVSTJZSA-N -1 3 370.449 2.308 20 10 FECDHM CCOC[C@@H]1CN(Cc2cc(Br)cc(OC)c2[O-])CCO1 ZINC000529666035 562380380 /nfs/dbraw/zinc/38/03/80/562380380.db2.gz IZCVXGBZMNCDLW-ZDUSSCGKSA-N -1 3 360.248 2.401 20 10 FECDHM Cc1ccc(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c([O-])c1O ZINC000267551692 550032793 /nfs/dbraw/zinc/03/27/93/550032793.db2.gz DAQLRYUIEIXEHN-UHFFFAOYSA-N -1 3 369.421 2.360 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000271213591 550354245 /nfs/dbraw/zinc/35/42/45/550354245.db2.gz MPFFCCFQVXTZPV-OAHLLOKOSA-N -1 3 361.423 2.136 20 10 FECDHM COc1cc(O)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1OC ZINC000271701419 550396284 /nfs/dbraw/zinc/39/62/84/550396284.db2.gz CSXREPMLIWDLHM-UHFFFAOYSA-N -1 3 372.421 2.073 20 10 FECDHM C[C@@H](NCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273414885 550497524 /nfs/dbraw/zinc/49/75/24/550497524.db2.gz QQDHDOBMPILXGA-GFCCVEGCSA-N -1 3 350.396 2.425 20 10 FECDHM C[C@@H]1CN(c2ccc(CNc3nc4nncc-4c(O)[n-]3)cc2F)C[C@@H](C)O1 ZINC000274682985 550549281 /nfs/dbraw/zinc/54/92/81/550549281.db2.gz OHMFKHUWRBZMQM-GHMZBOCLSA-N -1 3 372.404 2.423 20 10 FECDHM CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(O)c3[O-])c2)CC1 ZINC000275459174 550572279 /nfs/dbraw/zinc/57/22/79/550572279.db2.gz DCGJDIPVJJBVEU-UHFFFAOYSA-N -1 3 355.394 2.019 20 10 FECDHM C[C@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276932143 550612597 /nfs/dbraw/zinc/61/25/97/550612597.db2.gz OMPSEYRCTLKNTJ-IINYFYTJSA-N -1 3 350.369 2.250 20 10 FECDHM COc1c([O-])c(CN[C@H](Cc2ccccc2)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278884752 550832453 /nfs/dbraw/zinc/83/24/53/550832453.db2.gz OSSGQILRCKLLBA-OAHLLOKOSA-N -1 3 373.409 2.098 20 10 FECDHM CNC(=O)OC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290247061 552447727 /nfs/dbraw/zinc/44/77/27/552447727.db2.gz VGVJDSQPENCAGY-GFCCVEGCSA-N -1 3 353.375 2.020 20 10 FECDHM CCc1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1[O-] ZINC000291602984 552641999 /nfs/dbraw/zinc/64/19/99/552641999.db2.gz XLQJKHVUSFINHI-UHFFFAOYSA-N -1 3 374.462 2.442 20 10 FECDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]2CCC[C@@H]21 ZINC000294855869 552939120 /nfs/dbraw/zinc/93/91/20/552939120.db2.gz SHXYQZYARNVCQO-KBPBESRZSA-N -1 3 352.456 2.414 20 10 FECDHM CCOC(=O)c1c[n-]n(C2CC[NH+](Cc3cc(OC)ccc3[O-])CC2)c1=N ZINC000375014002 557964213 /nfs/dbraw/zinc/96/42/13/557964213.db2.gz SFGCZIZIXPEIHS-UHFFFAOYSA-N -1 3 374.441 2.024 20 10 FECDHM CCOC(=O)c1c[n-]n(C2CCN(Cc3cc(OC)ccc3O)CC2)c1=N ZINC000375014002 557964215 /nfs/dbraw/zinc/96/42/15/557964215.db2.gz SFGCZIZIXPEIHS-UHFFFAOYSA-N -1 3 374.441 2.024 20 10 FECDHM CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@]2(CCOC2)O1 ZINC000376020568 558114967 /nfs/dbraw/zinc/11/49/67/558114967.db2.gz GREXCEVUSODMMG-GUYCJALGSA-N -1 3 352.387 2.079 20 10 FECDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@]2(CCCOC2)O1 ZINC000376029302 558116039 /nfs/dbraw/zinc/11/60/39/558116039.db2.gz NRNNTNUGBMVLKQ-KDOFPFPSSA-N -1 3 366.414 2.469 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCc2[nH]cnc2C1 ZINC000377988356 558458636 /nfs/dbraw/zinc/45/86/36/558458636.db2.gz PENQVSJDBUWRIE-LBPRGKRZSA-N -1 3 360.801 2.090 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCc2nc[nH]c2C1 ZINC000377988356 558458637 /nfs/dbraw/zinc/45/86/37/558458637.db2.gz PENQVSJDBUWRIE-LBPRGKRZSA-N -1 3 360.801 2.090 20 10 FECDHM COC[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736972153 598857323 /nfs/dbraw/zinc/85/73/23/598857323.db2.gz WMGFENRUDRLEMO-GFCCVEGCSA-N -1 3 355.398 2.466 20 10 FECDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000826248943 607675445 /nfs/dbraw/zinc/67/54/45/607675445.db2.gz DDWMHEJRDCXJOG-UHFFFAOYSA-N -1 3 362.437 2.488 20 10 FECDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000826248943 607675447 /nfs/dbraw/zinc/67/54/47/607675447.db2.gz DDWMHEJRDCXJOG-UHFFFAOYSA-N -1 3 362.437 2.488 20 10 FECDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821610810 606248126 /nfs/dbraw/zinc/24/81/26/606248126.db2.gz GEFHUJQXYKRTFJ-UHFFFAOYSA-N -1 3 365.441 2.457 20 10 FECDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821610810 606248127 /nfs/dbraw/zinc/24/81/27/606248127.db2.gz GEFHUJQXYKRTFJ-UHFFFAOYSA-N -1 3 365.441 2.457 20 10 FECDHM CN(C)c1ccc(CN(C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821610720 606520076 /nfs/dbraw/zinc/52/00/76/606520076.db2.gz BQHPKDBUPUCVBL-UHFFFAOYSA-N -1 3 350.426 2.134 20 10 FECDHM CN(C)c1ccc(CN(C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821610720 606520078 /nfs/dbraw/zinc/52/00/78/606520078.db2.gz BQHPKDBUPUCVBL-UHFFFAOYSA-N -1 3 350.426 2.134 20 10 FECDHM COc1ccc(N(C)Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1F ZINC000826209125 609174320 /nfs/dbraw/zinc/17/43/20/609174320.db2.gz NQMDJVAIOXSKQU-UHFFFAOYSA-N -1 3 353.361 2.299 20 10 FECDHM COc1ccc(N(C)Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1F ZINC000826209125 609174322 /nfs/dbraw/zinc/17/43/22/609174322.db2.gz NQMDJVAIOXSKQU-UHFFFAOYSA-N -1 3 353.361 2.299 20 10 FECDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824458294 609417826 /nfs/dbraw/zinc/41/78/26/609417826.db2.gz VEAVZBGULDTLDT-VIFPVBQESA-N -1 3 356.342 2.229 20 10 FECDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824458294 609417828 /nfs/dbraw/zinc/41/78/28/609417828.db2.gz VEAVZBGULDTLDT-VIFPVBQESA-N -1 3 356.342 2.229 20 10 FECDHM CCN(Cc1cccc(Br)c1[O-])[C@@H](C)CS(C)(=O)=O ZINC000093390905 670752332 /nfs/dbraw/zinc/75/23/32/670752332.db2.gz OHFDXBHCPPBFFZ-JTQLQIEISA-N -1 3 350.278 2.410 20 10 FECDHM COC(=O)CN(Cc1nsc(N(C)C)n1)Cc1cc(Cl)ccc1[O-] ZINC000121233347 671944873 /nfs/dbraw/zinc/94/48/73/671944873.db2.gz BMAZOGABMFJIJO-UHFFFAOYSA-N -1 3 370.862 2.138 20 10 FECDHM COC(=O)CN(Cc1ccc(C(N)=O)cc1)Cc1cc(Cl)ccc1[O-] ZINC000171927514 672337488 /nfs/dbraw/zinc/33/74/88/672337488.db2.gz BEIRGTFLXUFFEN-UHFFFAOYSA-N -1 3 362.813 2.320 20 10 FECDHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000174669624 672362213 /nfs/dbraw/zinc/36/22/13/672362213.db2.gz VRKYVMPEOOVRHI-UHFFFAOYSA-N -1 3 358.416 2.306 20 10 FECDHM CCCCn1nnnc1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000731845444 673344741 /nfs/dbraw/zinc/34/47/41/673344741.db2.gz YESWCAXQHVAFNH-UHFFFAOYSA-N -1 3 367.837 2.007 20 10 FECDHM COC(=O)CN(CCCN1CCCC1=O)Cc1cc(Cl)ccc1[O-] ZINC000731845407 673344792 /nfs/dbraw/zinc/34/47/92/673344792.db2.gz WZACMHRYRUZABU-UHFFFAOYSA-N -1 3 354.834 2.033 20 10 FECDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C2=CC(=O)CS2)cc1OC ZINC000731869978 673345789 /nfs/dbraw/zinc/34/57/89/673345789.db2.gz FSUWLGRYVIFKHX-UHFFFAOYSA-N -1 3 356.425 2.476 20 10 FECDHM O=S(=O)(CCNCc1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC000824897170 675627416 /nfs/dbraw/zinc/62/74/16/675627416.db2.gz PPKMSLAKEFELSQ-UHFFFAOYSA-N -1 3 368.282 2.382 20 10 FECDHM COc1c([O-])c(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000825124682 675637698 /nfs/dbraw/zinc/63/76/98/675637698.db2.gz WAFBPIBWTWOIIQ-ZANVPECISA-N -1 3 350.293 2.054 20 10 FECDHM COC(=O)c1n[nH]c2c1CN(Cc1ccc(Br)cc1[O-])CC2 ZINC000826084215 675681582 /nfs/dbraw/zinc/68/15/82/675681582.db2.gz YEHYCHYQUAOKOY-UHFFFAOYSA-N -1 3 366.215 2.223 20 10 FECDHM O=C(NCc1c([O-])cccc1F)C1(n2cc(Br)cn2)CC1 ZINC000830180546 677028925 /nfs/dbraw/zinc/02/89/25/677028925.db2.gz PATNJJQARYCXMX-UHFFFAOYSA-N -1 3 354.179 2.296 20 10 FECDHM CCOC(=O)[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC12COC2 ZINC000830268831 677032917 /nfs/dbraw/zinc/03/29/17/677032917.db2.gz BPKVZQZMIIVRFU-HNNXBMFYSA-N -1 3 367.829 2.260 20 10 FECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000843118813 680988843 /nfs/dbraw/zinc/98/88/43/680988843.db2.gz OXQRCTOXAAOUTQ-UHFFFAOYSA-N -1 3 365.840 2.259 20 10 FECDHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)c1ccc(N(C)C)cc1 ZINC000773082755 681124977 /nfs/dbraw/zinc/12/49/77/681124977.db2.gz ACBBMMWWEPTDAD-SNVBAGLBSA-N -1 3 369.468 2.035 20 10 FECDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000773289387 681134404 /nfs/dbraw/zinc/13/44/04/681134404.db2.gz AQKXVVYVUFTHDH-CQSZACIVSA-N -1 3 350.440 2.464 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846579045 681263310 /nfs/dbraw/zinc/26/33/10/681263310.db2.gz JPVWIXUUFRJWTP-CQSZACIVSA-N -1 3 360.382 2.025 20 10 FECDHM O=C(NCc1cc(Br)ccc1O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848069431 681470214 /nfs/dbraw/zinc/47/02/14/681470214.db2.gz WMZDJYDKKWHVDX-UHFFFAOYSA-N -1 3 364.199 2.458 20 10 FECDHM COC(=O)C(C)(C)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000779190841 681687179 /nfs/dbraw/zinc/68/71/79/681687179.db2.gz MNGQVEUSKBNLGE-UHFFFAOYSA-N -1 3 371.275 2.224 20 10 FECDHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000849416616 681723621 /nfs/dbraw/zinc/72/36/21/681723621.db2.gz TXCPGYVQPFPOJH-LBPRGKRZSA-N -1 3 367.496 2.271 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(F)(F)c2ccccc2)c1 ZINC000789863139 682635037 /nfs/dbraw/zinc/63/50/37/682635037.db2.gz ZAFNAXPQDQDKHV-UHFFFAOYSA-N -1 3 370.377 2.286 20 10 FECDHM Cc1ccc2c(c1)CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2 ZINC000790987693 682718506 /nfs/dbraw/zinc/71/85/06/682718506.db2.gz GHRNCNOCRFUCJB-UHFFFAOYSA-N -1 3 360.435 2.271 20 10 FECDHM NC(=O)c1ccc(OCC(F)F)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000794248883 682948980 /nfs/dbraw/zinc/94/89/80/682948980.db2.gz GDOJLOIODYHNRM-UHFFFAOYSA-N -1 3 352.293 2.093 20 10 FECDHM C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(F)cc1[O-] ZINC000799725863 683487808 /nfs/dbraw/zinc/48/78/08/683487808.db2.gz KFEISADKWAFIIL-SNVBAGLBSA-N -1 3 374.384 2.439 20 10 FECDHM CS(=O)(=O)CC[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000928707372 683491228 /nfs/dbraw/zinc/49/12/28/683491228.db2.gz DAPHNWPLFUYVPN-CQSZACIVSA-N -1 3 365.426 2.366 20 10 FECDHM Cn1nccc1[C@H]1COCCN1Cc1c([O-])cccc1Br ZINC000862403088 683584963 /nfs/dbraw/zinc/58/49/63/683584963.db2.gz VGQZXJPCDGVLIO-CQSZACIVSA-N -1 3 352.232 2.462 20 10 FECDHM COc1c([O-])c(CNCc2c(C(F)(F)F)cnn2C)ccc1[N+](=O)[O-] ZINC000862436067 683591566 /nfs/dbraw/zinc/59/15/66/683591566.db2.gz VPMFGBHANGNLIO-UHFFFAOYSA-N -1 3 360.292 2.351 20 10 FECDHM O=C(NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)c1cccc(O)c1[O-] ZINC000862790749 683633831 /nfs/dbraw/zinc/63/38/31/683633831.db2.gz VEBVKVQAQNAQNQ-CQSZACIVSA-N -1 3 362.813 2.386 20 10 FECDHM CN(C)c1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)cc1 ZINC000866425043 684102146 /nfs/dbraw/zinc/10/21/46/684102146.db2.gz OCTWMDVZKCNFLV-QHCPKHFHSA-N -1 3 367.496 2.244 20 10 FECDHM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872448387 684951157 /nfs/dbraw/zinc/95/11/57/684951157.db2.gz DLSRXOYCKMFORU-QFIPXVFZSA-N -1 3 361.533 2.292 20 10 FECDHM COC(=O)C1=NO[C@@]2(CCN(Cc3c([O-])cccc3Br)C2)C1 ZINC000877712811 686442730 /nfs/dbraw/zinc/44/27/30/686442730.db2.gz UNVMCDLBAGTDPP-HNNXBMFYSA-N -1 3 369.215 2.049 20 10 FECDHM NS(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000877761967 686450075 /nfs/dbraw/zinc/45/00/75/686450075.db2.gz VQDLSQZATBACMC-UHFFFAOYSA-N -1 3 352.843 2.251 20 10 FECDHM O=C([N-]CC1CN(Cc2cc(Br)ccc2O)C1)C(F)(F)F ZINC000877777068 686454751 /nfs/dbraw/zinc/45/47/51/686454751.db2.gz NEEKBBSQRAWAHY-UHFFFAOYSA-N -1 3 367.165 2.265 20 10 FECDHM COc1c([O-])c(CN2CCO[C@@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000877820012 686471071 /nfs/dbraw/zinc/47/10/71/686471071.db2.gz LLVYCPKZQFOKBK-LLVKDONJSA-N -1 3 350.293 2.462 20 10 FECDHM Cc1cc([O-])c(CN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000895378992 689706875 /nfs/dbraw/zinc/70/68/75/689706875.db2.gz LAVCJYMDGJQWJP-IQMFZBJNSA-N -1 3 353.875 2.393 20 10 FECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000896609420 689905534 /nfs/dbraw/zinc/90/55/34/689905534.db2.gz NTGYNBVUGXFYLR-KGLIPLIRSA-N -1 3 355.891 2.425 20 10 FECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCN2CCSC[C@H]12 ZINC000896609422 689905642 /nfs/dbraw/zinc/90/56/42/689905642.db2.gz NTGYNBVUGXFYLR-UONOGXRCSA-N -1 3 355.891 2.425 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC(NC(=O)c3cccn3C)CC2)c1[O-] ZINC000079409533 542516440 /nfs/dbraw/zinc/51/64/40/542516440.db2.gz WBMWNVZTVMWJNG-UHFFFAOYSA-N -1 3 373.428 2.467 20 10 FECDHM COCCc1noc(CN(C)Cc2cc(Br)ccc2[O-])n1 ZINC000093586927 542935091 /nfs/dbraw/zinc/93/50/91/542935091.db2.gz JHZWTKWYKFLCGG-UHFFFAOYSA-N -1 3 356.220 2.359 20 10 FECDHM CCN1CCN([C@H]2CCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])C2)CC1 ZINC000176894574 546502877 /nfs/dbraw/zinc/50/28/77/546502877.db2.gz KJNZFBJBUPITAV-KRWDZBQOSA-N -1 3 365.905 2.460 20 10 FECDHM COCCN(Cc1ccc(OCc2ccccc2)cc1[O-])[C@@H](C)C(N)=O ZINC000183051730 547592372 /nfs/dbraw/zinc/59/23/72/547592372.db2.gz RRJYNDPJCHQVBD-HNNXBMFYSA-N -1 3 358.438 2.293 20 10 FECDHM CCOc1ccc(CN2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000192918205 548376959 /nfs/dbraw/zinc/37/69/59/548376959.db2.gz WVMNLKQGFQCYEN-UHFFFAOYSA-N -1 3 356.422 2.455 20 10 FECDHM O=C(CCc1ccccc1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193129594 548380349 /nfs/dbraw/zinc/38/03/49/548380349.db2.gz UPXAMFHRRFHLHS-UHFFFAOYSA-N -1 3 368.433 2.405 20 10 FECDHM Cc1ccc(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)c([O-])c1O ZINC000271230546 550355507 /nfs/dbraw/zinc/35/55/07/550355507.db2.gz BBOQUCHXNMQJOA-UHFFFAOYSA-N -1 3 374.441 2.045 20 10 FECDHM Cc1ccc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)c([O-])c1O ZINC000271279056 550360484 /nfs/dbraw/zinc/36/04/84/550360484.db2.gz NOKVYNGREQAKJQ-UHFFFAOYSA-N -1 3 363.435 2.141 20 10 FECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000273499780 550500646 /nfs/dbraw/zinc/50/06/46/550500646.db2.gz PYMYJFRXECVENS-ZWNOBZJWSA-N -1 3 374.359 2.383 20 10 FECDHM O=C(Oc1ccccc1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000275036877 550570470 /nfs/dbraw/zinc/57/04/70/550570470.db2.gz UXLCHIOVIADUDR-UHFFFAOYSA-N -1 3 356.378 2.445 20 10 FECDHM COc1c([O-])c(CNCc2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] ZINC000278889870 550833034 /nfs/dbraw/zinc/83/30/34/550833034.db2.gz PLZMGPPHFNWFNA-UHFFFAOYSA-N -1 3 371.393 2.491 20 10 FECDHM CCS(=O)(=O)c1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000280642783 551016647 /nfs/dbraw/zinc/01/66/47/551016647.db2.gz RLSGFZFRZPFLFV-UHFFFAOYSA-N -1 3 356.425 2.445 20 10 FECDHM CON(C)C(=O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000291288864 552610925 /nfs/dbraw/zinc/61/09/25/552610925.db2.gz PHKGUYRFAUZBOQ-UHFFFAOYSA-N -1 3 357.794 2.186 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1nc(C)oc1C ZINC000293554388 552834960 /nfs/dbraw/zinc/83/49/60/552834960.db2.gz UCJCBLOYPGCVOZ-UHFFFAOYSA-N -1 3 352.774 2.466 20 10 FECDHM COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3cccc(O)c3[O-])C2)c1 ZINC000370033376 556762804 /nfs/dbraw/zinc/76/28/04/556762804.db2.gz ZNUYWIHBXMHVKG-ZDUSSCGKSA-N -1 3 372.421 2.371 20 10 FECDHM COc1c([O-])c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213685 558289942 /nfs/dbraw/zinc/28/99/42/558289942.db2.gz IVGDGNQSLKLHLH-YVEFUNNKSA-N -1 3 352.387 2.079 20 10 FECDHM CNC(=O)NC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000529645204 562379942 /nfs/dbraw/zinc/37/99/42/562379942.db2.gz XWKYARBWKHNYMW-GOSISDBHSA-N -1 3 355.438 2.189 20 10 FECDHM COc1ccc(CN2CC[C@H]2CNC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000529833411 562387343 /nfs/dbraw/zinc/38/73/43/562387343.db2.gz RMLRGCVZFXZNIA-HNNXBMFYSA-N -1 3 356.422 2.419 20 10 FECDHM O=C(NCCCSc1nccs1)c1sccc1-c1nnn[n-]1 ZINC000738075911 598912394 /nfs/dbraw/zinc/91/23/94/598912394.db2.gz NLWLOSMGDNBONG-UHFFFAOYSA-N -1 3 352.470 2.297 20 10 FECDHM O=C(NCCCSc1nccs1)c1sccc1-c1nn[n-]n1 ZINC000738075911 598912395 /nfs/dbraw/zinc/91/23/95/598912395.db2.gz NLWLOSMGDNBONG-UHFFFAOYSA-N -1 3 352.470 2.297 20 10 FECDHM O=[N+]([O-])c1cnc(NCc2ccc(N3CC=CC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738373664 598973417 /nfs/dbraw/zinc/97/34/17/598973417.db2.gz FKHQAZCKURQCKJ-UHFFFAOYSA-N -1 3 364.369 2.158 20 10 FECDHM O=[N+]([O-])c1cnc(NCc2ccc(N3CC=CC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738373664 598973419 /nfs/dbraw/zinc/97/34/19/598973419.db2.gz FKHQAZCKURQCKJ-UHFFFAOYSA-N -1 3 364.369 2.158 20 10 FECDHM Cc1cc(C(=O)OCC(=O)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237678 598599559 /nfs/dbraw/zinc/59/95/59/598599559.db2.gz BYAAMIQSBMQXOX-UHFFFAOYSA-N -1 3 365.393 2.410 20 10 FECDHM CO[C@H](C)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736956963 598611633 /nfs/dbraw/zinc/61/16/33/598611633.db2.gz DQALDPPORYTFRI-CYBMUJFWSA-N -1 3 368.441 2.429 20 10 FECDHM O=C(C1=CC(=O)CS1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738246413 598722616 /nfs/dbraw/zinc/72/26/16/598722616.db2.gz CTXQLRXANVZCGD-UHFFFAOYSA-N -1 3 371.422 2.317 20 10 FECDHM COc1ccc(N(C)CCOc2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC000826208926 607753804 /nfs/dbraw/zinc/75/38/04/607753804.db2.gz GBSUBDZYHLCGFS-UHFFFAOYSA-N -1 3 355.398 2.399 20 10 FECDHM COc1ccc(N(C)CCOc2ccccc2-c2nn[n-]n2)c(OC)c1 ZINC000826208926 607753805 /nfs/dbraw/zinc/75/38/05/607753805.db2.gz GBSUBDZYHLCGFS-UHFFFAOYSA-N -1 3 355.398 2.399 20 10 FECDHM COc1ccc(N2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)cc1 ZINC000826209605 608384514 /nfs/dbraw/zinc/38/45/14/608384514.db2.gz JDNSKVLGTCZCFZ-UHFFFAOYSA-N -1 3 368.416 2.337 20 10 FECDHM COc1ccc(N2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)cc1 ZINC000826209605 608384517 /nfs/dbraw/zinc/38/45/17/608384517.db2.gz JDNSKVLGTCZCFZ-UHFFFAOYSA-N -1 3 368.416 2.337 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCc3ccccc32)c1 ZINC000111632605 670859686 /nfs/dbraw/zinc/85/96/86/670859686.db2.gz TXAJQNNJQCXQMH-CYBMUJFWSA-N -1 3 360.435 2.224 20 10 FECDHM Cc1cc([O-])c(CN[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1Cl ZINC000825883291 675672759 /nfs/dbraw/zinc/67/27/59/675672759.db2.gz VCMUFRJIOFQPEI-LBPRGKRZSA-N -1 3 374.812 2.266 20 10 FECDHM Cc1cc([O-])c(CN2CCC(N3CCS(=O)(=O)CC3)CC2)c(Cl)c1 ZINC000840939706 680855118 /nfs/dbraw/zinc/85/51/18/680855118.db2.gz PNBNRGKBHAEYHZ-UHFFFAOYSA-N -1 3 372.918 2.049 20 10 FECDHM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000766047452 680864226 /nfs/dbraw/zinc/86/42/26/680864226.db2.gz JATONAXSRVHEOL-UHFFFAOYSA-N -1 3 364.379 2.487 20 10 FECDHM O=S(=O)(CC1CC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000751374500 680170074 /nfs/dbraw/zinc/17/00/74/680170074.db2.gz YDRKQVNBTCKORC-OAHLLOKOSA-N -1 3 358.891 2.339 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c1[O-] ZINC000753849600 680320164 /nfs/dbraw/zinc/32/01/64/680320164.db2.gz GUQRESWEVWMFOW-CVEARBPZSA-N -1 3 355.431 2.276 20 10 FECDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1[O-] ZINC000756776550 680497311 /nfs/dbraw/zinc/49/73/11/680497311.db2.gz PXSLEUSOVZYJPR-OQPBUACISA-N -1 3 358.211 2.412 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCC(C(F)F)CC2)c1 ZINC000838103324 680673173 /nfs/dbraw/zinc/67/31/73/680673173.db2.gz NMGPTOLZDVMDIM-UHFFFAOYSA-N -1 3 362.398 2.317 20 10 FECDHM C[C@@H](NCc1nnnn1CC1CC1)c1ccc(Br)cc1[O-] ZINC000769989190 681002305 /nfs/dbraw/zinc/00/23/05/681002305.db2.gz QEASZOMVRGPQBK-SECBINFHSA-N -1 3 352.236 2.402 20 10 FECDHM Cc1nonc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771058363 681039855 /nfs/dbraw/zinc/03/98/55/681039855.db2.gz MWUBHZSUOJUYGW-ZDUSSCGKSA-N -1 3 350.806 2.131 20 10 FECDHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1C ZINC000776341002 681384409 /nfs/dbraw/zinc/38/44/09/681384409.db2.gz LKURMVRDAXZALK-UHFFFAOYSA-N -1 3 350.396 2.420 20 10 FECDHM CSCC[C@H](NC(=O)c1cccc(O)c1[O-])c1nnc2ccccn21 ZINC000776614619 681417420 /nfs/dbraw/zinc/41/74/20/681417420.db2.gz IUNHAUOUIIGQDL-LBPRGKRZSA-N -1 3 358.423 2.365 20 10 FECDHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cc(Br)ccc1O ZINC000796191602 683138937 /nfs/dbraw/zinc/13/89/37/683138937.db2.gz MTFVFRCQWKHEKY-UHFFFAOYSA-N -1 3 361.217 2.238 20 10 FECDHM Cc1nc([C@H]2COCCN2Cc2c([O-])cccc2Br)no1 ZINC000862303188 683568233 /nfs/dbraw/zinc/56/82/33/683568233.db2.gz MHBSNJFWRKSLSV-GFCCVEGCSA-N -1 3 354.204 2.420 20 10 FECDHM O=C1CN(Cc2c([O-])cccc2Br)CN1CC(F)(F)F ZINC000862344764 683574615 /nfs/dbraw/zinc/57/46/15/683574615.db2.gz ISPRBUSQNHEIRO-UHFFFAOYSA-N -1 3 353.138 2.319 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000863005248 683663143 /nfs/dbraw/zinc/66/31/43/683663143.db2.gz NVKHVFJRJGZRRS-WCQYABFASA-N -1 3 352.437 2.111 20 10 FECDHM O=S1(=O)C[C@H]2CN(Cc3ccc(Br)cc3[O-])CC[C@@H]2C1 ZINC000877791488 686462181 /nfs/dbraw/zinc/46/21/81/686462181.db2.gz QNBZLYTXDJNLMY-VXGBXAGGSA-N -1 3 360.273 2.021 20 10 FECDHM O=S1(=O)C[C@H]2CCN(Cc3cc(Br)ccc3[O-])C[C@H]2C1 ZINC000877791915 686463136 /nfs/dbraw/zinc/46/31/36/686463136.db2.gz KXJQRLQMPLPDLD-PWSUYJOCSA-N -1 3 360.273 2.021 20 10 FECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCN2CCSC[C@H]12 ZINC000896609424 689905649 /nfs/dbraw/zinc/90/56/49/689905649.db2.gz NTGYNBVUGXFYLR-ZIAGYGMSSA-N -1 3 355.891 2.425 20 10 FECDHM COC(=O)c1ccsc1N1CC[C@@H](N(C)Cc2ccccc2[O-])C1=O ZINC000072517874 541825027 /nfs/dbraw/zinc/82/50/27/541825027.db2.gz KKCGVDSLYJJKGQ-CQSZACIVSA-N -1 3 360.435 2.478 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCc3ccccc3C2)c1 ZINC000106926160 543256244 /nfs/dbraw/zinc/25/62/44/543256244.db2.gz NZVPRTXMRKQFHB-UHFFFAOYSA-N -1 3 360.435 2.352 20 10 FECDHM Cc1cc(Cl)cc(CN2CCN(c3ncccc3C(N)=O)CC2)c1[O-] ZINC000179683680 546998333 /nfs/dbraw/zinc/99/83/33/546998333.db2.gz AFQVSELOJSZZBV-UHFFFAOYSA-N -1 3 360.845 2.170 20 10 FECDHM Nc1nc(CN2CCN(Cc3cc(F)ccc3[O-])CC2)nc2ccccc12 ZINC000179895070 547026234 /nfs/dbraw/zinc/02/62/34/547026234.db2.gz ZVALHLDZGYJTKU-UHFFFAOYSA-N -1 3 367.428 2.375 20 10 FECDHM Cc1ccccc1C(=O)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000186933899 548222171 /nfs/dbraw/zinc/22/21/71/548222171.db2.gz MOZLKGACYMYMPW-UHFFFAOYSA-N -1 3 354.406 2.441 20 10 FECDHM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(O)c1[O-] ZINC000186972831 548231544 /nfs/dbraw/zinc/23/15/44/548231544.db2.gz IXDHQJWCFXJKHM-UHFFFAOYSA-N -1 3 360.385 2.128 20 10 FECDHM Cc1ccc(CN2CC[C@H](NCc3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1 ZINC000191801255 548351085 /nfs/dbraw/zinc/35/10/85/548351085.db2.gz CJGCGZVIBKTWRX-KRWDZBQOSA-N -1 3 355.394 2.500 20 10 FECDHM COc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])c2nccn2C)cc1 ZINC000192962308 548376787 /nfs/dbraw/zinc/37/67/87/548376787.db2.gz SIDRPRIOXPHXNM-MRXNPFEDSA-N -1 3 353.378 2.359 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1 ZINC000246214763 549080443 /nfs/dbraw/zinc/08/04/43/549080443.db2.gz OMFYYFCOWWLDRW-BMGDILEWSA-N -1 3 372.446 2.222 20 10 FECDHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c([O-])c1O ZINC000267624966 550033709 /nfs/dbraw/zinc/03/37/09/550033709.db2.gz VRYRWONPRQHTRH-UHFFFAOYSA-N -1 3 356.378 2.131 20 10 FECDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])c(C(=O)N(C)C)cc1OC ZINC000271238391 550356412 /nfs/dbraw/zinc/35/64/12/550356412.db2.gz DEFRWHZBSOAPRT-UHFFFAOYSA-N -1 3 374.393 2.378 20 10 FECDHM CSCCCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000273111512 550485806 /nfs/dbraw/zinc/48/58/06/550485806.db2.gz NYNCNYKRIFDZRI-UHFFFAOYSA-N -1 3 360.501 2.417 20 10 FECDHM C[C@@H](NCc1cccc(N2CCOCC2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274730154 550550848 /nfs/dbraw/zinc/55/08/48/550550848.db2.gz BPQFOUBGLCIXQX-CYBMUJFWSA-N -1 3 358.398 2.383 20 10 FECDHM COc1cc(C(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)ccc1C ZINC000275001214 550570048 /nfs/dbraw/zinc/57/00/48/550570048.db2.gz OHJGKFYAUVOYPI-UHFFFAOYSA-N -1 3 370.405 2.013 20 10 FECDHM CN(C)c1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000277359864 550660715 /nfs/dbraw/zinc/66/07/15/550660715.db2.gz XMEKWLAAADBIQX-UHFFFAOYSA-N -1 3 374.828 2.471 20 10 FECDHM COc1c([O-])c(CN[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278928110 550837055 /nfs/dbraw/zinc/83/70/55/550837055.db2.gz VUKVWDKEHGOTSZ-CYBMUJFWSA-N -1 3 357.366 2.204 20 10 FECDHM C[C@@H](N[C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(F)c(F)c1[O-] ZINC000278975758 550842292 /nfs/dbraw/zinc/84/22/92/550842292.db2.gz OCOPIHQENDCCSR-VXGBXAGGSA-N -1 3 364.396 2.084 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCC1CCC1 ZINC000283876819 551442258 /nfs/dbraw/zinc/44/22/58/551442258.db2.gz BWASUZIMFUHXDP-UHFFFAOYSA-N -1 3 369.259 2.420 20 10 FECDHM COc1cccc(C(=O)N2CCCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000363948027 555220053 /nfs/dbraw/zinc/22/00/53/555220053.db2.gz PTYVDRGTBKFYHG-UHFFFAOYSA-N -1 3 370.405 2.095 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCO[C@@H]1C1CC1 ZINC000365315767 555539994 /nfs/dbraw/zinc/53/99/94/555539994.db2.gz DWLLMVXNHRTQRQ-CZUORRHYSA-N -1 3 350.802 2.377 20 10 FECDHM CO[C@H](C)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821673641 607320120 /nfs/dbraw/zinc/32/01/20/607320120.db2.gz HTYWEJRKILTGED-GFCCVEGCSA-N -1 3 355.398 2.466 20 10 FECDHM COCCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736980851 598610233 /nfs/dbraw/zinc/61/02/33/598610233.db2.gz FUUMBTVSRLFLGR-UHFFFAOYSA-N -1 3 368.441 2.431 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737105449 598769535 /nfs/dbraw/zinc/76/95/35/598769535.db2.gz GREGIGZQWXQBBT-SNVBAGLBSA-N -1 3 354.370 2.464 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105449 598769537 /nfs/dbraw/zinc/76/95/37/598769537.db2.gz GREGIGZQWXQBBT-SNVBAGLBSA-N -1 3 354.370 2.464 20 10 FECDHM Cc1cc(C(=O)N[C@@H]2CCO[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259313 608206727 /nfs/dbraw/zinc/20/67/27/608206727.db2.gz OFGQVJVTUHZXJW-SUMWQHHRSA-N -1 3 366.425 2.181 20 10 FECDHM CC1CCN(c2ccc(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)CC1 ZINC000824961104 609210063 /nfs/dbraw/zinc/21/00/63/609210063.db2.gz BBVZXQLAUUAWLL-UHFFFAOYSA-N -1 3 365.441 2.361 20 10 FECDHM CC1CCN(c2ccc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)CC1 ZINC000824961104 609210066 /nfs/dbraw/zinc/21/00/66/609210066.db2.gz BBVZXQLAUUAWLL-UHFFFAOYSA-N -1 3 365.441 2.361 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3cccc(F)c3C2)c1 ZINC000092569211 670741956 /nfs/dbraw/zinc/74/19/56/670741956.db2.gz MSTKTKLZJNMUOH-UHFFFAOYSA-N -1 3 364.398 2.101 20 10 FECDHM C[C@@H](C(=O)N1CCCC1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093843365 670755823 /nfs/dbraw/zinc/75/58/23/670755823.db2.gz IBVQHTDDJPSBRW-AWEZNQCLSA-N -1 3 351.878 2.174 20 10 FECDHM Cn1ncc2c1ncnc2N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000124366290 671996021 /nfs/dbraw/zinc/99/60/21/671996021.db2.gz AHGRIYNGJLCBPB-UHFFFAOYSA-N -1 3 358.833 2.045 20 10 FECDHM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2c([O-])cccc2Cl)C1 ZINC000130184048 672072047 /nfs/dbraw/zinc/07/20/47/672072047.db2.gz YMEOOTNUEYWXPI-CYBMUJFWSA-N -1 3 368.861 2.279 20 10 FECDHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC000178499420 672391987 /nfs/dbraw/zinc/39/19/87/672391987.db2.gz VCXJNXGECJBHPR-UHFFFAOYSA-N -1 3 366.414 2.157 20 10 FECDHM C[C@H]([C@H](C)N(C)Cc1ccc(Br)cc1[O-])S(C)(=O)=O ZINC000824819844 675623221 /nfs/dbraw/zinc/62/32/21/675623221.db2.gz UXBJOMGPELTLIT-VHSXEESVSA-N -1 3 350.278 2.408 20 10 FECDHM Cc1cc([O-])c(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1Cl ZINC000824542489 675609553 /nfs/dbraw/zinc/60/95/53/675609553.db2.gz UBJTXDJKRRCDQX-ZDUSSCGKSA-N -1 3 351.878 2.139 20 10 FECDHM CN(C)C(=O)N[C@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000826100233 675682101 /nfs/dbraw/zinc/68/21/01/675682101.db2.gz NXTDIDIGJZHKRK-ZDUSSCGKSA-N -1 3 356.264 2.390 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000836885979 680527537 /nfs/dbraw/zinc/52/75/37/680527537.db2.gz RVQJZZQZUORUQQ-HOCLYGCPSA-N -1 3 350.440 2.024 20 10 FECDHM C[C@H](C(=O)N1CCCC1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000769543471 680986568 /nfs/dbraw/zinc/98/65/68/680986568.db2.gz QAQDTWOGSXBQKO-CQSZACIVSA-N -1 3 351.878 2.174 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000843434925 681004046 /nfs/dbraw/zinc/00/40/46/681004046.db2.gz VKJLEHVCBGNRHB-MFKMUULPSA-N -1 3 355.232 2.393 20 10 FECDHM Cc1cc(Cl)cc(C[NH+]2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1[O-] ZINC000844933147 681094053 /nfs/dbraw/zinc/09/40/53/681094053.db2.gz CMZBSKFZTVGVSG-CYBMUJFWSA-N -1 3 366.845 2.252 20 10 FECDHM CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775650128 681321622 /nfs/dbraw/zinc/32/16/22/681321622.db2.gz QTFVOVPJIDZRFE-CYBMUJFWSA-N -1 3 364.870 2.479 20 10 FECDHM Cc1ccc(C(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)c([O-])c1O ZINC000780860995 681878414 /nfs/dbraw/zinc/87/84/14/681878414.db2.gz CGODTYDGGNVQSK-UHFFFAOYSA-N -1 3 354.359 2.169 20 10 FECDHM CC(C)(C)OC[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000928243265 683418435 /nfs/dbraw/zinc/41/84/35/683418435.db2.gz MSYIEIAENPSTGZ-ZDUSSCGKSA-N -1 3 370.471 2.183 20 10 FECDHM COC(=O)N1CCC[C@H]([C@H](C)NC(=O)NCc2c([O-])cccc2F)C1 ZINC000922053138 683647245 /nfs/dbraw/zinc/64/72/45/683647245.db2.gz WUVYRSRUPZAILC-RYUDHWBXSA-N -1 3 353.394 2.197 20 10 FECDHM CC(C)N1C(=S)N=NC1CCNC(=O)NCc1c([O-])cccc1F ZINC000923211831 684242901 /nfs/dbraw/zinc/24/29/01/684242901.db2.gz KCCUVQGOYMKUAU-UHFFFAOYSA-N -1 3 353.423 2.034 20 10 FECDHM CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000886963205 688348063 /nfs/dbraw/zinc/34/80/63/688348063.db2.gz LYKXBKIQXFKQNH-GDBMZVCRSA-N -1 3 353.390 2.324 20 10 FECDHM CC1(C)C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCS1 ZINC000888803337 688675991 /nfs/dbraw/zinc/67/59/91/688675991.db2.gz VUDOHEHLEAUBRV-LLVKDONJSA-N -1 3 358.485 2.168 20 10 FECDHM O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(Cc3cc(F)ccc3[O-])C[C@H]21 ZINC000898457873 690186764 /nfs/dbraw/zinc/18/67/64/690186764.db2.gz TXMXFRAYTFJXMR-ZIAGYGMSSA-N -1 3 367.364 2.473 20 10 FECDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000056053443 540697416 /nfs/dbraw/zinc/69/74/16/540697416.db2.gz NXKZYAONQOKCDU-UHFFFAOYSA-N -1 3 368.890 2.461 20 10 FECDHM NC(=O)C1CCN(c2ncccc2CNCc2c([O-])cccc2Cl)CC1 ZINC000113335319 543484497 /nfs/dbraw/zinc/48/44/97/543484497.db2.gz RMUANKHQQQWOTI-UHFFFAOYSA-N -1 3 374.872 2.432 20 10 FECDHM O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cccc(O)c1[O-] ZINC000186765761 548188551 /nfs/dbraw/zinc/18/85/51/548188551.db2.gz UHOQUBBWVFEXRC-INIZCTEOSA-N -1 3 360.385 2.040 20 10 FECDHM Cc1cc(Br)cc(CN2CC[C@H](C)S(=O)(=O)CC2)c1[O-] ZINC000192046446 548356928 /nfs/dbraw/zinc/35/69/28/548356928.db2.gz DXSGQRZQAWYWGW-NSHDSACASA-N -1 3 362.289 2.472 20 10 FECDHM Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c([O-])c1O ZINC000272741953 550468115 /nfs/dbraw/zinc/46/81/15/550468115.db2.gz IOZQOTUBBREIFN-UHFFFAOYSA-N -1 3 369.421 2.046 20 10 FECDHM C[C@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273572782 550503791 /nfs/dbraw/zinc/50/37/91/550503791.db2.gz LCQVLUFBCIVQPI-LBPRGKRZSA-N -1 3 359.382 2.477 20 10 FECDHM CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc([O-])c(C)c3)cc2)CC1 ZINC000276275925 550577940 /nfs/dbraw/zinc/57/79/40/550577940.db2.gz QVBDZLCAXLEBSU-UHFFFAOYSA-N -1 3 367.449 2.299 20 10 FECDHM O=S(=O)(CCO)c1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000276720580 550588966 /nfs/dbraw/zinc/58/89/66/550588966.db2.gz SFZXVPMRDMOYTB-UHFFFAOYSA-N -1 3 355.843 2.101 20 10 FECDHM CCO[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)[C@@H]1OC ZINC000277976429 550734702 /nfs/dbraw/zinc/73/47/02/550734702.db2.gz SYESQTABKDDMQX-BJJXKVORSA-N -1 3 368.817 2.002 20 10 FECDHM COc1c([O-])c(CN2CCC[C@@H](CNC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278253182 550765682 /nfs/dbraw/zinc/76/56/82/550765682.db2.gz PIWKUYHVSZKVEL-ZDUSSCGKSA-N -1 3 365.430 2.293 20 10 FECDHM C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289791956 552379285 /nfs/dbraw/zinc/37/92/85/552379285.db2.gz SAVUUWDFMCOWKP-SMDDNHRTSA-N -1 3 355.822 2.249 20 10 FECDHM Cc1ccc(C(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)c([O-])c1O ZINC000293646123 552843646 /nfs/dbraw/zinc/84/36/46/552843646.db2.gz DSLCERZFUKBDSV-UHFFFAOYSA-N -1 3 358.369 2.449 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(C3CCCCC3)C2)c1 ZINC000294420055 552904724 /nfs/dbraw/zinc/90/47/24/552904724.db2.gz UQQAQEBRPZHNOD-UHFFFAOYSA-N -1 3 352.456 2.416 20 10 FECDHM CCn1nc(C)c(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1 ZINC000294765678 552932710 /nfs/dbraw/zinc/93/27/10/552932710.db2.gz JCMDPVXTSPWGRG-UHFFFAOYSA-N -1 3 352.822 2.141 20 10 FECDHM COC[C@@]1(C(=O)OC)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000295139980 552962562 /nfs/dbraw/zinc/96/25/62/552962562.db2.gz ZKTXXHYXQDUCLI-OAHLLOKOSA-N -1 3 358.232 2.166 20 10 FECDHM CCOC(=O)c1cnn(C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000296045000 553094926 /nfs/dbraw/zinc/09/49/26/553094926.db2.gz MUMHRFVBCAOQNZ-UHFFFAOYSA-N -1 3 373.409 2.257 20 10 FECDHM O=C1[C@H](N(Cc2ccccc2[O-])C[C@@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473060 555114238 /nfs/dbraw/zinc/11/42/38/555114238.db2.gz XTWLQQCXANBEQQ-RBUKOAKNSA-N -1 3 374.481 2.153 20 10 FECDHM Cc1csc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000363933597 555217076 /nfs/dbraw/zinc/21/70/76/555217076.db2.gz UHCLUWWIXONCBH-LLVKDONJSA-N -1 3 361.423 2.354 20 10 FECDHM COc1c([O-])c(CN2CCCC[C@H]2CCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000367831296 556149970 /nfs/dbraw/zinc/14/99/70/556149970.db2.gz HGLRVNYMYMARNE-ZDUSSCGKSA-N -1 3 372.443 2.098 20 10 FECDHM CCn1cc(NC(=O)C2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cn1 ZINC000371669164 557257421 /nfs/dbraw/zinc/25/74/21/557257421.db2.gz CQXJDXTZLNGURF-UHFFFAOYSA-N -1 3 372.425 2.114 20 10 FECDHM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000372283226 557429176 /nfs/dbraw/zinc/42/91/76/557429176.db2.gz RSAVAHKPCDZVPO-LSDHHAIUSA-N -1 3 353.390 2.276 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1C[C@H]2OCCC[C@@H]21 ZINC000372889219 557582832 /nfs/dbraw/zinc/58/28/32/557582832.db2.gz GOSQXZHHJDJFAN-UMVBOHGHSA-N -1 3 350.802 2.377 20 10 FECDHM CCCC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000377202577 558287892 /nfs/dbraw/zinc/28/78/92/558287892.db2.gz WLXYMJNMXBTDFE-UHFFFAOYSA-N -1 3 351.403 2.143 20 10 FECDHM Cc1cc(Br)cc(CN2CC(n3cc([C@H](C)O)nn3)C2)c1[O-] ZINC000378530026 558576223 /nfs/dbraw/zinc/57/62/23/558576223.db2.gz FAABMLMDURLAAA-JTQLQIEISA-N -1 3 367.247 2.165 20 10 FECDHM CC(=O)NCC[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H](C)C(=O)[O-] ZINC000819770495 597703941 /nfs/dbraw/zinc/70/39/41/597703941.db2.gz WBCAQPTTYUTBAI-CQSZACIVSA-N -1 3 356.422 2.470 20 10 FECDHM CC(=O)NCC[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@H](C)C(=O)[O-] ZINC000819770495 597703942 /nfs/dbraw/zinc/70/39/42/597703942.db2.gz WBCAQPTTYUTBAI-CQSZACIVSA-N -1 3 356.422 2.470 20 10 FECDHM COc1ccc(OC)c(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737109243 598320720 /nfs/dbraw/zinc/32/07/20/598320720.db2.gz HHEYMWAXLVRGMH-UHFFFAOYSA-N -1 3 371.426 2.197 20 10 FECDHM Cc1cc(C(=O)O[C@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238540 598415344 /nfs/dbraw/zinc/41/53/44/598415344.db2.gz OLNLISRZQZRZQS-HNNXBMFYSA-N -1 3 353.382 2.220 20 10 FECDHM Cc1cc(C(=O)O[C@@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238541 598415462 /nfs/dbraw/zinc/41/54/62/598415462.db2.gz OLNLISRZQZRZQS-OAHLLOKOSA-N -1 3 353.382 2.220 20 10 FECDHM Fc1ccc(NCc2ccc(N3CCOCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000737657666 598635509 /nfs/dbraw/zinc/63/55/09/598635509.db2.gz YPEBMCPZUFTHOQ-UHFFFAOYSA-N -1 3 354.389 2.455 20 10 FECDHM Fc1ccc(NCc2ccc(N3CCOCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000737657666 598635511 /nfs/dbraw/zinc/63/55/11/598635511.db2.gz YPEBMCPZUFTHOQ-UHFFFAOYSA-N -1 3 354.389 2.455 20 10 FECDHM CN(Cc1ccccc1O)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736828913 598698846 /nfs/dbraw/zinc/69/88/46/598698846.db2.gz UDWMOPMSIWLSPE-UHFFFAOYSA-N -1 3 355.423 2.323 20 10 FECDHM CN(Cc1ccccc1O)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736828913 598698848 /nfs/dbraw/zinc/69/88/48/598698848.db2.gz UDWMOPMSIWLSPE-UHFFFAOYSA-N -1 3 355.423 2.323 20 10 FECDHM Oc1ccccc1CNc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823733332 599461903 /nfs/dbraw/zinc/46/19/03/599461903.db2.gz UKJDSZBJVXOLGW-UHFFFAOYSA-N -1 3 366.425 2.146 20 10 FECDHM Oc1ccccc1CNc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823733332 599461906 /nfs/dbraw/zinc/46/19/06/599461906.db2.gz UKJDSZBJVXOLGW-UHFFFAOYSA-N -1 3 366.425 2.146 20 10 FECDHM Cc1ccc(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)c(O)c1O ZINC000822227794 606948204 /nfs/dbraw/zinc/94/82/04/606948204.db2.gz WGVFOJHSWYCMJF-UHFFFAOYSA-N -1 3 370.365 2.212 20 10 FECDHM Cc1ccc(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)c(O)c1O ZINC000822227794 606948205 /nfs/dbraw/zinc/94/82/05/606948205.db2.gz WGVFOJHSWYCMJF-UHFFFAOYSA-N -1 3 370.365 2.212 20 10 FECDHM Oc1ccccc1CN(C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826511225 608076856 /nfs/dbraw/zinc/07/68/56/608076856.db2.gz HMNJECWVFJPIRP-OAHLLOKOSA-N -1 3 352.398 2.153 20 10 FECDHM Oc1ccccc1CN(C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826511225 608076857 /nfs/dbraw/zinc/07/68/57/608076857.db2.gz HMNJECWVFJPIRP-OAHLLOKOSA-N -1 3 352.398 2.153 20 10 FECDHM CCN(C(=O)C=Cc1cnn(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367721 608343841 /nfs/dbraw/zinc/34/38/41/608343841.db2.gz VBGUTYRVKQHMGZ-QPJJXVBHSA-N -1 3 357.805 2.320 20 10 FECDHM CCN(C(=O)C=Cc1cnn(C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367721 608343844 /nfs/dbraw/zinc/34/38/44/608343844.db2.gz VBGUTYRVKQHMGZ-QPJJXVBHSA-N -1 3 357.805 2.320 20 10 FECDHM Cc1ccc(-c2nnn[n-]2)nc1NCc1ccc(N2CCOCC2)cc1 ZINC000826280491 608544157 /nfs/dbraw/zinc/54/41/57/608544157.db2.gz DEXPFHKYQGMUNQ-UHFFFAOYSA-N -1 3 351.414 2.019 20 10 FECDHM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCc2[nH]cnc2C1 ZINC000811950647 674642121 /nfs/dbraw/zinc/64/21/21/674642121.db2.gz JQUFFGJHVWQPGX-SNVBAGLBSA-N -1 3 365.231 2.235 20 10 FECDHM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCc2nc[nH]c2C1 ZINC000811950647 674642125 /nfs/dbraw/zinc/64/21/25/674642125.db2.gz JQUFFGJHVWQPGX-SNVBAGLBSA-N -1 3 365.231 2.235 20 10 FECDHM [O-]c1c(Br)cccc1CN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000816641716 675070095 /nfs/dbraw/zinc/07/00/95/675070095.db2.gz CVGWQCMWQQBAQJ-ZDUSSCGKSA-N -1 3 367.247 2.076 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cc3ccccc3[nH]2)c1 ZINC000057557734 670369537 /nfs/dbraw/zinc/36/95/37/670369537.db2.gz HUOYUKGCCODZIL-UHFFFAOYSA-N -1 3 359.407 2.175 20 10 FECDHM CC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC(F)(F)CC1 ZINC000752837566 680262722 /nfs/dbraw/zinc/26/27/22/680262722.db2.gz ZSWHMKQSMJAVAB-UHFFFAOYSA-N -1 3 362.398 2.462 20 10 FECDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000773289386 681134398 /nfs/dbraw/zinc/13/43/98/681134398.db2.gz AQKXVVYVUFTHDH-AWEZNQCLSA-N -1 3 350.440 2.464 20 10 FECDHM COc1c([O-])c(CNc2ccccc2SCC(N)=O)ccc1[N+](=O)[O-] ZINC000774935392 681252994 /nfs/dbraw/zinc/25/29/94/681252994.db2.gz NJIMLSWKDMDRMG-UHFFFAOYSA-N -1 3 363.395 2.499 20 10 FECDHM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000783868095 682183145 /nfs/dbraw/zinc/18/31/45/682183145.db2.gz AXRVNWRRKMQKJJ-NSHDSACASA-N -1 3 368.377 2.471 20 10 FECDHM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790942557 682714848 /nfs/dbraw/zinc/71/48/48/682714848.db2.gz IVPPHUOZOKUTEB-AAEUAGOBSA-N -1 3 350.415 2.473 20 10 FECDHM CC(=O)c1cc(F)cc(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)c1[O-] ZINC000856789892 682811050 /nfs/dbraw/zinc/81/10/50/682811050.db2.gz RMVKLOXEZZYYJB-QGZVFWFLSA-N -1 3 363.410 2.493 20 10 FECDHM NC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])c(OCC(F)F)c1 ZINC000793845199 682913341 /nfs/dbraw/zinc/91/33/41/682913341.db2.gz SYVDYWLTPMANKP-UHFFFAOYSA-N -1 3 352.293 2.093 20 10 FECDHM C[C@@H](N[C@@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1[O-] ZINC000858434803 682968291 /nfs/dbraw/zinc/96/82/91/682968291.db2.gz PZVDPIIYRDDCCR-PELKAZGASA-N -1 3 358.211 2.412 20 10 FECDHM C[C@H](N[C@@H]1CNOC1)c1cc(Br)cc(Br)c1[O-] ZINC000925861962 683045354 /nfs/dbraw/zinc/04/53/54/683045354.db2.gz JSFAZAIMDCLKOQ-POYBYMJQSA-N -1 3 366.053 2.471 20 10 FECDHM CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928704545 683491201 /nfs/dbraw/zinc/49/12/01/683491201.db2.gz BMJBNHDXWVWXQA-ZDUSSCGKSA-N -1 3 351.422 2.225 20 10 FECDHM CCN(CC)C(=O)N1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928711639 683492135 /nfs/dbraw/zinc/49/21/35/683492135.db2.gz KFYIBGZWYNUJSV-UHFFFAOYSA-N -1 3 351.422 2.321 20 10 FECDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@@H]2CCC[C@H]21 ZINC000862388081 683582030 /nfs/dbraw/zinc/58/20/30/683582030.db2.gz WTUPPTIBTONISC-TZMCWYRMSA-N -1 3 360.273 2.306 20 10 FECDHM CN(C)c1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)cc1 ZINC000866425041 684102078 /nfs/dbraw/zinc/10/20/78/684102078.db2.gz OCTWMDVZKCNFLV-HSZRJFAPSA-N -1 3 367.496 2.244 20 10 FECDHM Cn1cc([C@@H](CO)NCc2cc(Cl)cc(Br)c2[O-])cn1 ZINC000883076731 687557774 /nfs/dbraw/zinc/55/77/74/687557774.db2.gz LEVSHQYXXDTLBA-GFCCVEGCSA-N -1 3 360.639 2.365 20 10 FECDHM COCCCNS(=O)(=O)c1ccccc1NCc1c([O-])cccc1F ZINC000895833403 689777896 /nfs/dbraw/zinc/77/78/96/689777896.db2.gz WNZMUDPSNACJRG-UHFFFAOYSA-N -1 3 368.430 2.458 20 10 FECDHM COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Br)ccc1[O-] ZINC000895863106 689784181 /nfs/dbraw/zinc/78/41/81/689784181.db2.gz KVRSSCQOWPSPMG-STQMWFEESA-N -1 3 358.232 2.355 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1cc(F)cc(F)c1 ZINC000053697173 540550365 /nfs/dbraw/zinc/55/03/65/540550365.db2.gz KHYMAHUXPVCGLY-UHFFFAOYSA-N -1 3 368.405 2.280 20 10 FECDHM O=C(CN(Cc1ccccc1[O-])C[C@H]1CCCO1)NCc1cccnc1 ZINC000111232991 543387220 /nfs/dbraw/zinc/38/72/20/543387220.db2.gz NHTDPSZVPCPAOY-GOSISDBHSA-N -1 3 355.438 2.085 20 10 FECDHM CN(CC(=O)[N-]OCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000120867502 543685812 /nfs/dbraw/zinc/68/58/12/543685812.db2.gz QHYYLQFGIVQXMD-UHFFFAOYSA-N -1 3 369.465 2.203 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCN(Cc3noc(C)n3)CC2)c1[O-] ZINC000175649431 546327160 /nfs/dbraw/zinc/32/71/60/546327160.db2.gz ZAZSMIHUGBJDMI-UHFFFAOYSA-N -1 3 362.405 2.133 20 10 FECDHM COc1cc(Br)cc(CN2CCC[C@]23CCOC3=O)c1[O-] ZINC000190033108 548316489 /nfs/dbraw/zinc/31/64/89/548316489.db2.gz JTWYWGJXDYCKGM-OAHLLOKOSA-N -1 3 356.216 2.445 20 10 FECDHM CCOc1nnc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])s1 ZINC000264637377 549998943 /nfs/dbraw/zinc/99/89/43/549998943.db2.gz WQJQTGAMKISXDL-UHFFFAOYSA-N -1 3 371.846 2.471 20 10 FECDHM Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)[n-]c(=O)n1 ZINC000268930301 550132657 /nfs/dbraw/zinc/13/26/57/550132657.db2.gz XTWGYKISFCIFFG-QGZVFWFLSA-N -1 3 370.453 2.378 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC=C(C(F)(F)F)CC2)c1 ZINC000270234464 550255367 /nfs/dbraw/zinc/25/53/67/550255367.db2.gz ITHRKJOLCZODJE-UHFFFAOYSA-N -1 3 364.345 2.098 20 10 FECDHM C[C@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273304117 550493797 /nfs/dbraw/zinc/49/37/97/550493797.db2.gz CJEXGSIBTLFYPK-AWEZNQCLSA-N -1 3 371.441 2.298 20 10 FECDHM O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000274988616 550569872 /nfs/dbraw/zinc/56/98/72/550569872.db2.gz RCVOTLMPNQPKJK-UHFFFAOYSA-N -1 3 356.378 2.294 20 10 FECDHM CSc1nnc(CCCNC(=O)c2cccc(O)c2[O-])n1CC(C)C ZINC000275010313 550570009 /nfs/dbraw/zinc/57/00/09/550570009.db2.gz PSYIYEAHIQZAEC-UHFFFAOYSA-N -1 3 364.471 2.430 20 10 FECDHM O=C(CCCCN1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000277408513 550666850 /nfs/dbraw/zinc/66/68/50/550666850.db2.gz BVRDWUWQCUOBEI-UHFFFAOYSA-N -1 3 371.275 2.273 20 10 FECDHM CCO[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)[C@H]1OC ZINC000277976431 550734807 /nfs/dbraw/zinc/73/48/07/550734807.db2.gz SYESQTABKDDMQX-JGGQBBKZSA-N -1 3 368.817 2.002 20 10 FECDHM CCOC(=O)N[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278183752 550758596 /nfs/dbraw/zinc/75/85/96/550758596.db2.gz HAORWRAZOSOVKK-LBPRGKRZSA-N -1 3 353.375 2.020 20 10 FECDHM COc1c([O-])c(CNCc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278526933 550795629 /nfs/dbraw/zinc/79/56/29/550795629.db2.gz UAUHINODWUSEDS-UHFFFAOYSA-N -1 3 360.292 2.351 20 10 FECDHM COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2Cc2cc(F)cc(C(C)=O)c2[O-])O1 ZINC000282484931 551235791 /nfs/dbraw/zinc/23/57/91/551235791.db2.gz PEIBIKSWUUJZQN-XLUQRUARSA-N -1 3 365.401 2.417 20 10 FECDHM CS(=O)(=O)N1CCC(N(Cc2cc(F)ccc2[O-])CC(F)F)CC1 ZINC000283135773 551317264 /nfs/dbraw/zinc/31/72/64/551317264.db2.gz WHZLKUHEKRCFOC-UHFFFAOYSA-N -1 3 366.405 2.022 20 10 FECDHM Cc1ccc(C(=O)N2CCn3c(Br)cnc3C2)c([O-])c1O ZINC000283775987 551425781 /nfs/dbraw/zinc/42/57/81/551425781.db2.gz MTRLTCPKMSPFIA-UHFFFAOYSA-N -1 3 352.188 2.021 20 10 FECDHM COc1cc(Cl)cc(CN2CCN(CC(F)(F)F)C(=O)C2)c1[O-] ZINC000289981559 552409793 /nfs/dbraw/zinc/40/97/93/552409793.db2.gz ZTCXMVIDWOVNHV-UHFFFAOYSA-N -1 3 352.740 2.261 20 10 FECDHM CCOC(=O)CNC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294274315 552893072 /nfs/dbraw/zinc/89/30/72/552893072.db2.gz ONSREXULCLMQLR-UHFFFAOYSA-N -1 3 372.824 2.076 20 10 FECDHM C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000294965736 552947687 /nfs/dbraw/zinc/94/76/87/552947687.db2.gz NOOULEWLSMTCPZ-CJNGLKHVSA-N -1 3 367.405 2.080 20 10 FECDHM CC(=O)c1cc(F)cc(CN2C[C@H](C(N)=O)CC[C@@H]2C(F)(F)F)c1[O-] ZINC000361816091 554936719 /nfs/dbraw/zinc/93/67/19/554936719.db2.gz RRCDRTNHHSXNRF-NOZJJQNGSA-N -1 3 362.323 2.362 20 10 FECDHM Cn1ccc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000364689720 555375897 /nfs/dbraw/zinc/37/58/97/555375897.db2.gz YVQHBJLUWDSZQH-MRXNPFEDSA-N -1 3 362.861 2.102 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@]1(C)CCCNC1=O ZINC000365185266 555505078 /nfs/dbraw/zinc/50/50/78/555505078.db2.gz VCGUXGIQNPSHCO-MRXNPFEDSA-N -1 3 369.259 2.420 20 10 FECDHM COc1c([O-])c(CN2CCCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000365806712 555671611 /nfs/dbraw/zinc/67/16/11/555671611.db2.gz QRJIUKBTSMKIRF-UHFFFAOYSA-N -1 3 365.430 2.389 20 10 FECDHM Cc1nccc(CN2CCC[C@H](N[C@H](C)c3ccc(F)cc3[O-])C2=O)n1 ZINC000366683200 555907923 /nfs/dbraw/zinc/90/79/23/555907923.db2.gz KECZLZVLRXMDNL-PXAZEXFGSA-N -1 3 358.417 2.472 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](CN3CCN(C)CC3)C2)c1[O-] ZINC000367623750 556099864 /nfs/dbraw/zinc/09/98/64/556099864.db2.gz QOIHFGPUKJMBFK-MRXNPFEDSA-N -1 3 363.477 2.193 20 10 FECDHM COCC[C@@H]1COCCN1Cc1cc(Br)cc(OC)c1[O-] ZINC000368270262 556264321 /nfs/dbraw/zinc/26/43/21/556264321.db2.gz UUGALMBIASVYOG-CYBMUJFWSA-N -1 3 360.248 2.401 20 10 FECDHM COC(=O)c1cn([C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)nn1 ZINC000373812484 557764932 /nfs/dbraw/zinc/76/49/32/557764932.db2.gz MULRLXNYANEUNM-SECBINFHSA-N -1 3 354.769 2.010 20 10 FECDHM Cc1cc(N(C)C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737270124 599064519 /nfs/dbraw/zinc/06/45/19/599064519.db2.gz JDXVWIJFFZJGOR-UHFFFAOYSA-N -1 3 354.374 2.156 20 10 FECDHM Cc1cc(N(C)C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737270124 599064521 /nfs/dbraw/zinc/06/45/21/599064521.db2.gz JDXVWIJFFZJGOR-UHFFFAOYSA-N -1 3 354.374 2.156 20 10 FECDHM Fc1cc(-c2nn[n-]n2)ccc1NCc1ccc(N2CCOCC2)cc1 ZINC000737645049 598241069 /nfs/dbraw/zinc/24/10/69/598241069.db2.gz OURGBROQYJRTMZ-UHFFFAOYSA-N -1 3 354.389 2.455 20 10 FECDHM Cc1cc(C(=O)N[C@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235254 598363346 /nfs/dbraw/zinc/36/33/46/598363346.db2.gz RVNKGYNSZMTSOX-HNNXBMFYSA-N -1 3 366.425 2.183 20 10 FECDHM CSCC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)N(C)C ZINC000808438711 674459137 /nfs/dbraw/zinc/45/91/37/674459137.db2.gz LHTUORAUPKDYOE-NSHDSACASA-N -1 3 361.851 2.253 20 10 FECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821611294 599467656 /nfs/dbraw/zinc/46/76/56/599467656.db2.gz ZLUJJYAAUVFRFR-UHFFFAOYSA-N -1 3 368.416 2.479 20 10 FECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821611294 599467658 /nfs/dbraw/zinc/46/76/58/599467658.db2.gz ZLUJJYAAUVFRFR-UHFFFAOYSA-N -1 3 368.416 2.479 20 10 FECDHM CCCN1CCC[C@@H]1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000826922276 603026920 /nfs/dbraw/zinc/02/69/20/603026920.db2.gz WCBOWGQEIILTOE-DLBZAZTESA-N -1 3 362.474 2.052 20 10 FECDHM CN1CCc2cc(C=C3N=C(c4ccc(-c5nnn[n-]5)cc4)OC3=O)ccc21 ZINC000826045576 607680248 /nfs/dbraw/zinc/68/02/48/607680248.db2.gz ZOPIFOYPYMUWKB-WJDWOHSUSA-N -1 3 372.388 2.204 20 10 FECDHM CN1CCc2cc(C=C3N=C(c4ccc(-c5nn[n-]n5)cc4)OC3=O)ccc21 ZINC000826045576 607680250 /nfs/dbraw/zinc/68/02/50/607680250.db2.gz ZOPIFOYPYMUWKB-WJDWOHSUSA-N -1 3 372.388 2.204 20 10 FECDHM CN(C)c1ccc(CN(C)C(=O)CNC2(C(=O)[O-])CCCCCC2)cc1 ZINC000833695162 604482091 /nfs/dbraw/zinc/48/20/91/604482091.db2.gz JOSBHDSBXSBDQQ-UHFFFAOYSA-N -1 3 361.486 2.478 20 10 FECDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000834104152 605500875 /nfs/dbraw/zinc/50/08/75/605500875.db2.gz CXQYYEVFOZCAJC-XGWLTEMNSA-N -1 3 362.426 2.172 20 10 FECDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000834104152 605500881 /nfs/dbraw/zinc/50/08/81/605500881.db2.gz CXQYYEVFOZCAJC-XGWLTEMNSA-N -1 3 362.426 2.172 20 10 FECDHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(Cc1ccco1)Cc1ccccc1O ZINC000823460545 606277869 /nfs/dbraw/zinc/27/78/69/606277869.db2.gz PODXEBXURCYDHV-UHFFFAOYSA-N -1 3 364.365 2.336 20 10 FECDHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(Cc1ccco1)Cc1ccccc1O ZINC000823460545 606277871 /nfs/dbraw/zinc/27/78/71/606277871.db2.gz PODXEBXURCYDHV-UHFFFAOYSA-N -1 3 364.365 2.336 20 10 FECDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCCSc1nccs1 ZINC000823098027 606560392 /nfs/dbraw/zinc/56/03/92/606560392.db2.gz HSAMUUNRMVANJO-UHFFFAOYSA-N -1 3 360.468 2.164 20 10 FECDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCCSc1nccs1 ZINC000823098027 606560393 /nfs/dbraw/zinc/56/03/93/606560393.db2.gz HSAMUUNRMVANJO-UHFFFAOYSA-N -1 3 360.468 2.164 20 10 FECDHM CC[C@H](CCO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825114735 607907703 /nfs/dbraw/zinc/90/77/03/607907703.db2.gz PLZYVJFKXZYULY-OAHLLOKOSA-N -1 3 368.441 2.165 20 10 FECDHM Cc1cc(C(=O)N[C@H](C)[C@@H](C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258145 607941464 /nfs/dbraw/zinc/94/14/64/607941464.db2.gz BHNFXPHKUCWZCV-WCQYABFASA-N -1 3 368.441 2.021 20 10 FECDHM COc1ccc(N2CCCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000826209296 608276619 /nfs/dbraw/zinc/27/66/19/608276619.db2.gz VUHNGVGLUNQCLH-UHFFFAOYSA-N -1 3 365.441 2.295 20 10 FECDHM COc1ccc(N2CCCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000826209296 608276620 /nfs/dbraw/zinc/27/66/20/608276620.db2.gz VUHNGVGLUNQCLH-UHFFFAOYSA-N -1 3 365.441 2.295 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](CS(C)(=O)=O)C2)c1 ZINC000814174439 674824676 /nfs/dbraw/zinc/82/46/76/674824676.db2.gz CORGAKNRCRXGQY-LLVKDONJSA-N -1 3 362.289 2.330 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cc3ccccc3o2)c1 ZINC000065643349 670431023 /nfs/dbraw/zinc/43/10/23/670431023.db2.gz LEVCKHYCLJWLQD-UHFFFAOYSA-N -1 3 360.391 2.440 20 10 FECDHM CN1CCC[C@@H]1C(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093821176 670755693 /nfs/dbraw/zinc/75/56/93/670755693.db2.gz TVVFQRZKVNTRKI-OAHLLOKOSA-N -1 3 372.296 2.437 20 10 FECDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(Br)cc1[O-] ZINC000824813652 675622887 /nfs/dbraw/zinc/62/28/87/675622887.db2.gz FRXVPQWDAXUOSK-SNVBAGLBSA-N -1 3 350.278 2.410 20 10 FECDHM COC(=O)c1cn(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)nn1 ZINC000761220003 680715407 /nfs/dbraw/zinc/71/54/07/680715407.db2.gz RRVNCUOHOAFLJG-UHFFFAOYSA-N -1 3 368.796 2.400 20 10 FECDHM CCC(CC)[C@@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])OC ZINC000747616960 679892788 /nfs/dbraw/zinc/89/27/88/679892788.db2.gz MHGNZYICNGJIOI-MRXNPFEDSA-N -1 3 372.487 2.335 20 10 FECDHM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2nc[nH]c2C1 ZINC000834475968 680232194 /nfs/dbraw/zinc/23/21/94/680232194.db2.gz JUMVXGKQVHZSHW-SECBINFHSA-N -1 3 350.216 2.299 20 10 FECDHM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2[nH]cnc2C1 ZINC000834475968 680232200 /nfs/dbraw/zinc/23/22/00/680232200.db2.gz JUMVXGKQVHZSHW-SECBINFHSA-N -1 3 350.216 2.299 20 10 FECDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1[O-] ZINC000756776548 680497290 /nfs/dbraw/zinc/49/72/90/680497290.db2.gz PXSLEUSOVZYJPR-ISVAXAHUSA-N -1 3 358.211 2.412 20 10 FECDHM [O-]c1c(Br)cccc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000769330126 680978456 /nfs/dbraw/zinc/97/84/56/680978456.db2.gz WLQJLWTZJILCJV-CABCVRRESA-N -1 3 355.276 2.186 20 10 FECDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cncc(F)c3)c2)CC1 ZINC000769848871 680997230 /nfs/dbraw/zinc/99/72/30/680997230.db2.gz QKFKXKDUKJXYAP-UHFFFAOYSA-N -1 3 364.446 2.163 20 10 FECDHM C[C@H](NCc1nnnn1CC1CC1)c1cc(Br)ccc1[O-] ZINC000769989944 681002249 /nfs/dbraw/zinc/00/22/49/681002249.db2.gz SCSDAQDXOONBSQ-VIFPVBQESA-N -1 3 352.236 2.402 20 10 FECDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778999220 681671725 /nfs/dbraw/zinc/67/17/25/681671725.db2.gz BBJKMFIUVCTCME-UHFFFAOYSA-N -1 3 365.386 2.459 20 10 FECDHM COCc1nc(NC(=O)c2ccc(C)c(O)c2[O-])sc1C(=O)OC ZINC000854409358 682547336 /nfs/dbraw/zinc/54/73/36/682547336.db2.gz DQVMIZFHDXKPEA-UHFFFAOYSA-N -1 3 352.368 2.048 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCC2CC2)CC2CC2)c1 ZINC000856283654 682760960 /nfs/dbraw/zinc/76/09/60/682760960.db2.gz IKYISEUNDZXDMJ-UHFFFAOYSA-N -1 3 352.456 2.416 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(Cc3ccsc3)C2)c1 ZINC000857410191 682885104 /nfs/dbraw/zinc/88/51/04/682885104.db2.gz HUVJOWIMMGGJME-UHFFFAOYSA-N -1 3 366.464 2.140 20 10 FECDHM CSC[C@@H](C)C(=O)N1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928707471 683490993 /nfs/dbraw/zinc/49/09/93/683490993.db2.gz FETLZDJWZNYAFG-GFCCVEGCSA-N -1 3 368.474 2.385 20 10 FECDHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCCSc1nccs1 ZINC000872449361 684951688 /nfs/dbraw/zinc/95/16/88/684951688.db2.gz JARADXMRXWIGHO-FQEVSTJZSA-N -1 3 371.575 2.356 20 10 FECDHM COC(=O)[C@@H](Cc1cncs1)NCc1cc(Br)ccc1[O-] ZINC000877800226 686466776 /nfs/dbraw/zinc/46/67/76/686466776.db2.gz FAQUODMOZIYSQP-GFCCVEGCSA-N -1 3 371.256 2.485 20 10 FECDHM CON(C)C(=O)[C@H](C)NCc1cc(Cl)cc(Br)c1[O-] ZINC000883192448 687585702 /nfs/dbraw/zinc/58/57/02/687585702.db2.gz ZOUWZNREYBLREN-ZETCQYMHSA-N -1 3 351.628 2.306 20 10 FECDHM COC(=O)C1([C@@]2(O)CCCN(Cc3cc(F)cc(F)c3[O-])C2)CCC1 ZINC000897702129 690066581 /nfs/dbraw/zinc/06/65/81/690066581.db2.gz JCCUYAOBQDRRPU-GOSISDBHSA-N -1 3 355.381 2.341 20 10 FECDHM COC(=O)[C@](C)(Cn1cccn1)NCc1ccc(Br)cc1[O-] ZINC000898343472 690161852 /nfs/dbraw/zinc/16/18/52/690161852.db2.gz XBUACCLLZLHZAB-HNNXBMFYSA-N -1 3 368.231 2.073 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)c3ccncc3)CC2)c1[O-] ZINC000079399839 542515684 /nfs/dbraw/zinc/51/56/84/542515684.db2.gz WNMINJJOCWZPTK-UHFFFAOYSA-N -1 3 371.412 2.477 20 10 FECDHM CCN1CCN([C@@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000093132860 542911441 /nfs/dbraw/zinc/91/14/41/542911441.db2.gz FYMIKBDOZVCVDD-OAHLLOKOSA-N -1 3 368.865 2.166 20 10 FECDHM CCc1nc(CN2CCN(Cc3cc(Cl)cc(OC)c3[O-])CC2)no1 ZINC000184691506 547866030 /nfs/dbraw/zinc/86/60/30/547866030.db2.gz JJKMYCSRQFEITI-UHFFFAOYSA-N -1 3 366.849 2.317 20 10 FECDHM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193101741 548380666 /nfs/dbraw/zinc/38/06/66/548380666.db2.gz RECFLOAVQCQCKM-NSHDSACASA-N -1 3 374.359 2.361 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)C[C@@H](C)OC ZINC000195321625 548621951 /nfs/dbraw/zinc/62/19/51/548621951.db2.gz DVOTZNDFZZQOPY-SNVBAGLBSA-N -1 3 366.277 2.341 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)C[C@H](C)OC ZINC000195321632 548621738 /nfs/dbraw/zinc/62/17/38/548621738.db2.gz DVOTZNDFZZQOPY-JTQLQIEISA-N -1 3 366.277 2.341 20 10 FECDHM Cn1cc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)nc1Cl ZINC000269288278 550176726 /nfs/dbraw/zinc/17/67/26/550176726.db2.gz NCBGMDVRQFDFLV-UHFFFAOYSA-N -1 3 354.863 2.152 20 10 FECDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1Cc2ccccc2C1 ZINC000271221727 550354951 /nfs/dbraw/zinc/35/49/51/550354951.db2.gz GDWUACXWAFJZKF-UHFFFAOYSA-N -1 3 360.435 2.003 20 10 FECDHM CC(C)C[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000271978159 550414266 /nfs/dbraw/zinc/41/42/66/550414266.db2.gz LVWGUDKSIVMMRQ-GXTWGEPZSA-N -1 3 370.471 2.087 20 10 FECDHM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272534824 550456852 /nfs/dbraw/zinc/45/68/52/550456852.db2.gz BDURVAKIDYGBAJ-LLVKDONJSA-N -1 3 362.455 2.326 20 10 FECDHM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000272778828 550470477 /nfs/dbraw/zinc/47/04/77/550470477.db2.gz UPFMUZSZVWQRQL-CQSZACIVSA-N -1 3 372.421 2.088 20 10 FECDHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCC(C)C)c([O-])c1O ZINC000272862202 550474095 /nfs/dbraw/zinc/47/40/95/550474095.db2.gz UXTQDJJTSKQKCQ-CYBMUJFWSA-N -1 3 352.456 2.084 20 10 FECDHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c([O-])c1O ZINC000273068727 550483329 /nfs/dbraw/zinc/48/33/29/550483329.db2.gz ZRIDDESNMVCLBG-OAHLLOKOSA-N -1 3 370.405 2.255 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)c1ccnn1C ZINC000274130143 550524543 /nfs/dbraw/zinc/52/45/43/550524543.db2.gz HPUCIAISFQKMME-UHFFFAOYSA-N -1 3 374.260 2.099 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275140616 550570561 /nfs/dbraw/zinc/57/05/61/550570561.db2.gz VFNMZUUODIYUAJ-SNVBAGLBSA-N -1 3 362.323 2.234 20 10 FECDHM O=C(CNC(=O)c1cccc([O-])c1)NCc1ccc(N2CCCC2)cc1 ZINC000275140747 550570686 /nfs/dbraw/zinc/57/06/86/550570686.db2.gz MYCALJXKMGIWDA-UHFFFAOYSA-N -1 3 353.422 2.039 20 10 FECDHM CCO[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)[C@@H]1OC ZINC000277976435 550734811 /nfs/dbraw/zinc/73/48/11/550734811.db2.gz SYESQTABKDDMQX-XPKDYRNWSA-N -1 3 368.817 2.002 20 10 FECDHM C[C@@H](N[C@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(F)c(F)c1[O-] ZINC000278975752 550842335 /nfs/dbraw/zinc/84/23/35/550842335.db2.gz OCOPIHQENDCCSR-NEPJUHHUSA-N -1 3 364.396 2.084 20 10 FECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000280431469 550992897 /nfs/dbraw/zinc/99/28/97/550992897.db2.gz JESBYBLTHWFQHA-ZDUSSCGKSA-N -1 3 369.421 2.455 20 10 FECDHM COc1c([O-])c(CN[C@@]2(CO)CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000282411688 551225045 /nfs/dbraw/zinc/22/50/45/551225045.db2.gz SEYYKELGRWMNEE-GOSISDBHSA-N -1 3 360.366 2.069 20 10 FECDHM CCCCN(Cc1nnc(S(C)(=O)=O)s1)Cc1ccccc1[O-] ZINC000286343166 551876815 /nfs/dbraw/zinc/87/68/15/551876815.db2.gz XMXZUKOUMQKOSU-UHFFFAOYSA-N -1 3 355.485 2.450 20 10 FECDHM Cc1ccc(C(=O)NCc2ccncc2OC[C@H]2CCOC2)c([O-])c1O ZINC000291816353 552664444 /nfs/dbraw/zinc/66/44/44/552664444.db2.gz RSPCGDFRUSUAFT-ZDUSSCGKSA-N -1 3 358.394 2.147 20 10 FECDHM COC1CCN(c2ccc(CN3CCC[C@@H](c4n[n-]c(=O)o4)C3)cc2)CC1 ZINC000295407719 553001507 /nfs/dbraw/zinc/00/15/07/553001507.db2.gz SJTKYKBCNMDUDT-MRXNPFEDSA-N -1 3 372.469 2.358 20 10 FECDHM O=C(c1cccc([O-])c1)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000361613214 554926395 /nfs/dbraw/zinc/92/63/95/554926395.db2.gz KSWPVROXNPEFFH-UHFFFAOYSA-N -1 3 371.393 2.400 20 10 FECDHM Cn1ccc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000364689719 555375867 /nfs/dbraw/zinc/37/58/67/555375867.db2.gz YVQHBJLUWDSZQH-INIZCTEOSA-N -1 3 362.861 2.102 20 10 FECDHM CN1CCC2(CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1=O ZINC000365837588 555679396 /nfs/dbraw/zinc/67/93/96/555679396.db2.gz WBDWUFMUOCPJBH-UHFFFAOYSA-N -1 3 353.806 2.398 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](N3CCNC3=O)C2)c1[O-] ZINC000365885225 555692311 /nfs/dbraw/zinc/69/23/11/555692311.db2.gz LUBANCSNUCXVPA-CQSZACIVSA-N -1 3 351.834 2.238 20 10 FECDHM O=C(NC1CC1)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000367419078 556043450 /nfs/dbraw/zinc/04/34/50/556043450.db2.gz NNWCQBQMNLFCPK-UHFFFAOYSA-N -1 3 353.806 2.444 20 10 FECDHM Cc1nccc(CN2CCC[C@@H](NCc3cccc(Cl)c3[O-])C2=O)n1 ZINC000368621894 556366038 /nfs/dbraw/zinc/36/60/38/556366038.db2.gz BGLISPFBJIHWMM-MRXNPFEDSA-N -1 3 360.845 2.425 20 10 FECDHM O=C(CN(Cc1ccccc1[O-])C[C@H]1CCCO1)N1CCOC[C@H]1C1CC1 ZINC000372319379 557438704 /nfs/dbraw/zinc/43/87/04/557438704.db2.gz SMBZIYMGVVPVLV-MOPGFXCFSA-N -1 3 374.481 2.011 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000372889218 557582918 /nfs/dbraw/zinc/58/29/18/557582918.db2.gz GOSQXZHHJDJFAN-NFAWXSAZSA-N -1 3 350.802 2.377 20 10 FECDHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Br)ccc1[O-] ZINC000374896072 557947338 /nfs/dbraw/zinc/94/73/38/557947338.db2.gz KMPNVFULJMETIK-QWHCGFSZSA-N -1 3 358.232 2.307 20 10 FECDHM COc1c([O-])c(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000375716519 558072226 /nfs/dbraw/zinc/07/22/26/558072226.db2.gz CGFMLNWKVYPISS-NWANDNLSSA-N -1 3 352.387 2.077 20 10 FECDHM C[C@@H]1CC[C@@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000376873064 558232412 /nfs/dbraw/zinc/23/24/12/558232412.db2.gz XEZJNYKTUMIFRU-SJKOYZFVSA-N -1 3 352.456 2.416 20 10 FECDHM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736532935 598439363 /nfs/dbraw/zinc/43/93/63/598439363.db2.gz WANJZOYSQCZULA-UHFFFAOYSA-N -1 3 365.441 2.380 20 10 FECDHM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736532935 598439365 /nfs/dbraw/zinc/43/93/65/598439365.db2.gz WANJZOYSQCZULA-UHFFFAOYSA-N -1 3 365.441 2.380 20 10 FECDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)c1[O-] ZINC000739778185 601914520 /nfs/dbraw/zinc/91/45/20/601914520.db2.gz AOKZNDSFYZVWFK-LBPRGKRZSA-N -1 3 358.394 2.422 20 10 FECDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c1[O-] ZINC000739778185 601914522 /nfs/dbraw/zinc/91/45/22/601914522.db2.gz AOKZNDSFYZVWFK-LBPRGKRZSA-N -1 3 358.394 2.422 20 10 FECDHM c1cc(N2CCSCC2)ccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000823757294 606052883 /nfs/dbraw/zinc/05/28/83/606052883.db2.gz NYNOKIMYLLXEMT-UHFFFAOYSA-N -1 3 353.455 2.427 20 10 FECDHM c1cc(N2CCSCC2)ccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000823757294 606052889 /nfs/dbraw/zinc/05/28/89/606052889.db2.gz NYNOKIMYLLXEMT-UHFFFAOYSA-N -1 3 353.455 2.427 20 10 FECDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1ccc(N2CCCC2)cc1 ZINC000823098155 606525006 /nfs/dbraw/zinc/52/50/06/606525006.db2.gz JGIQSORHADWVKE-UHFFFAOYSA-N -1 3 362.437 2.326 20 10 FECDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1ccc(N2CCCC2)cc1 ZINC000823098155 606525007 /nfs/dbraw/zinc/52/50/07/606525007.db2.gz JGIQSORHADWVKE-UHFFFAOYSA-N -1 3 362.437 2.326 20 10 FECDHM Cc1cc(C(=O)N[C@@H](C)[C@H](C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258146 607941461 /nfs/dbraw/zinc/94/14/61/607941461.db2.gz BHNFXPHKUCWZCV-YPMHNXCESA-N -1 3 368.441 2.021 20 10 FECDHM COc1cc(N(C)Cc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1OC ZINC000826180856 608375061 /nfs/dbraw/zinc/37/50/61/608375061.db2.gz ZUYOOFDYKLCVJX-UHFFFAOYSA-N -1 3 370.369 2.429 20 10 FECDHM COc1cc(N(C)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1OC ZINC000826180856 608375063 /nfs/dbraw/zinc/37/50/63/608375063.db2.gz ZUYOOFDYKLCVJX-UHFFFAOYSA-N -1 3 370.369 2.429 20 10 FECDHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(OC)c(OC)cc1O ZINC000826186248 609481234 /nfs/dbraw/zinc/48/12/34/609481234.db2.gz KUJOZYVNFJZCRY-UHFFFAOYSA-N -1 3 357.370 2.210 20 10 FECDHM C=Cc1ccc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000812595886 674687040 /nfs/dbraw/zinc/68/70/40/674687040.db2.gz TYDFHAYVYOIYCE-UHFFFAOYSA-N -1 3 360.435 2.379 20 10 FECDHM CCn1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000815835070 674976416 /nfs/dbraw/zinc/97/64/16/674976416.db2.gz JIWBNEZMJCKRGA-AWEZNQCLSA-N -1 3 363.849 2.051 20 10 FECDHM Cc1cccc2c1CC[C@H]2NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000104927327 670797675 /nfs/dbraw/zinc/79/76/75/670797675.db2.gz XSDYBLUUTSZLNE-MRXNPFEDSA-N -1 3 360.435 2.489 20 10 FECDHM Cn1cc(I)c(CNCc2cc(F)ccc2[O-])n1 ZINC000825078781 675635749 /nfs/dbraw/zinc/63/57/49/675635749.db2.gz DGGMYEROMFTWTP-UHFFFAOYSA-N -1 3 361.158 2.159 20 10 FECDHM COC(=O)CN(Cc1nc(C2CC2)nn1C)Cc1cc(Cl)ccc1[O-] ZINC000828062386 675795665 /nfs/dbraw/zinc/79/56/65/675795665.db2.gz IGIAEKFEXAGRRT-UHFFFAOYSA-N -1 3 364.833 2.227 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000761229965 680715738 /nfs/dbraw/zinc/71/57/38/680715738.db2.gz WKYWUDVHEFJNPF-CYBMUJFWSA-N -1 3 368.275 2.499 20 10 FECDHM C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC(F)(F)F ZINC000839850003 680783159 /nfs/dbraw/zinc/78/31/59/680783159.db2.gz NPNJFAWKBQWAIC-QMMMGPOBSA-N -1 3 354.350 2.082 20 10 FECDHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c1 ZINC000749254775 680034286 /nfs/dbraw/zinc/03/42/86/680034286.db2.gz KTUVWXVRUUUJHZ-UHFFFAOYSA-N -1 3 354.453 2.079 20 10 FECDHM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCc2n[nH]nc21 ZINC000834476212 680232170 /nfs/dbraw/zinc/23/21/70/680232170.db2.gz RKGFZGARJRRTHB-SECBINFHSA-N -1 3 351.204 2.009 20 10 FECDHM C[C@@H]1C[C@@H](NCc2cc(Cl)cc(F)c2[O-])C(=O)N1c1cnn(C)c1 ZINC000776224572 681374659 /nfs/dbraw/zinc/37/46/59/681374659.db2.gz UHEVORMSEJEIQE-YMTOWFKASA-N -1 3 352.797 2.202 20 10 FECDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)ccc1OC ZINC000776748502 681432992 /nfs/dbraw/zinc/43/29/92/681432992.db2.gz LQDSUMNQWMTUIJ-UHFFFAOYSA-N -1 3 351.380 2.297 20 10 FECDHM COc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)ccc1F ZINC000788048170 682499128 /nfs/dbraw/zinc/49/91/28/682499128.db2.gz XCCZZEVJJSVCQT-UHFFFAOYSA-N -1 3 374.415 2.007 20 10 FECDHM Cc1nc(NC(=O)c2cccc(O)c2[O-])sc1C1N=NC(=S)N1C ZINC000790518608 682683112 /nfs/dbraw/zinc/68/31/12/682683112.db2.gz OMRJTKKYRCXYGA-UHFFFAOYSA-N -1 3 363.424 2.199 20 10 FECDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCC(F)CC1 ZINC000856080956 682740174 /nfs/dbraw/zinc/74/01/74/682740174.db2.gz SGSXGIQDAZHJOT-VOMCLLRMSA-N -1 3 358.435 2.410 20 10 FECDHM COc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000919811743 683300505 /nfs/dbraw/zinc/30/05/05/683300505.db2.gz HOPJMSNDOABNKH-LLVKDONJSA-N -1 3 364.423 2.263 20 10 FECDHM CSC[C@H](C)C(=O)N1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928707472 683491803 /nfs/dbraw/zinc/49/18/03/683491803.db2.gz FETLZDJWZNYAFG-LBPRGKRZSA-N -1 3 368.474 2.385 20 10 FECDHM O=C(NCc1c([O-])cccc1F)c1nn2c(c1Br)CCC2 ZINC000928711046 683492350 /nfs/dbraw/zinc/49/23/50/683492350.db2.gz ZIWQXAQZBFYKEC-UHFFFAOYSA-N -1 3 354.179 2.367 20 10 FECDHM C[C@]12CN(Cc3cc(Br)ccc3[O-])C[C@@]1(C)CS(=O)(=O)C2 ZINC000877814673 686469969 /nfs/dbraw/zinc/46/99/69/686469969.db2.gz ANTTVZLFULVMPH-GASCZTMLSA-N -1 3 374.300 2.411 20 10 FECDHM O=S(=O)(c1ccc(NCc2c([O-])cccc2F)nc1)N1CCCC1 ZINC000895838358 689778553 /nfs/dbraw/zinc/77/85/53/689778553.db2.gz VRJRPJSSLVVTSB-UHFFFAOYSA-N -1 3 351.403 2.323 20 10 FECDHM COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Br)ccc1[O-] ZINC000895863104 689784198 /nfs/dbraw/zinc/78/41/98/689784198.db2.gz KVRSSCQOWPSPMG-QWHCGFSZSA-N -1 3 358.232 2.355 20 10 FECDHM CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000827544833 675764017 /nfs/dbraw/zinc/76/40/17/675764017.db2.gz LQGVPOCEAFJJAK-GFCCVEGCSA-N -1 3 356.264 2.342 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1[O-] ZINC000079400561 542516666 /nfs/dbraw/zinc/51/66/66/542516666.db2.gz DNMVJCVJGSSLNZ-OAHLLOKOSA-N -1 3 372.462 2.028 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000079434358 542518532 /nfs/dbraw/zinc/51/85/32/542518532.db2.gz CRPXZJXRONWIPP-OAHLLOKOSA-N -1 3 350.434 2.278 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000092070007 542842982 /nfs/dbraw/zinc/84/29/82/542842982.db2.gz ZMCFUYIWWPQUAA-NSHDSACASA-N -1 3 351.794 2.458 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000093664313 542937132 /nfs/dbraw/zinc/93/71/32/542937132.db2.gz KNKVAQWWPUCEOP-LBPRGKRZSA-N -1 3 355.822 2.108 20 10 FECDHM COC(=O)CN(CCn1c(C)csc1=O)Cc1cc(Cl)ccc1[O-] ZINC000109779789 543338398 /nfs/dbraw/zinc/33/83/98/543338398.db2.gz POCAYKRCWNZZJH-UHFFFAOYSA-N -1 3 370.858 2.252 20 10 FECDHM COC(=O)c1ccc(CNC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])cc1 ZINC000112583495 543453055 /nfs/dbraw/zinc/45/30/55/543453055.db2.gz DIEKSMIDLYXMIO-CQSZACIVSA-N -1 3 356.422 2.316 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1 ZINC000121023742 543687849 /nfs/dbraw/zinc/68/78/49/543687849.db2.gz OMFYYFCOWWLDRW-FHLIZLRMSA-N -1 3 372.446 2.222 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCc3occc32)c1 ZINC000097374002 222177748 /nfs/dbraw/zinc/17/77/48/222177748.db2.gz PVJOETZOFCGERB-ZDUSSCGKSA-N -1 3 350.396 2.164 20 10 FECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1=COCCO1 ZINC000134265846 544300885 /nfs/dbraw/zinc/30/08/85/544300885.db2.gz IMAYDQSZUROHBH-AWEZNQCLSA-N -1 3 352.818 2.014 20 10 FECDHM O=C(CCn1cccn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000153996649 544849739 /nfs/dbraw/zinc/84/97/39/544849739.db2.gz GZNHMVMYMBCDNX-INIZCTEOSA-N -1 3 362.861 2.413 20 10 FECDHM O=S(=O)(CCNCc1cccc(Cl)c1[O-])NCc1ccccc1 ZINC000181152918 547259823 /nfs/dbraw/zinc/25/98/23/547259823.db2.gz NATLJVVFYBGNKV-UHFFFAOYSA-N -1 3 354.859 2.255 20 10 FECDHM Cc1ccc(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1O ZINC000182942422 547576932 /nfs/dbraw/zinc/57/69/32/547576932.db2.gz NRHNQOJJZQSDHV-OAHLLOKOSA-N -1 3 354.406 2.185 20 10 FECDHM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(O)c1[O-] ZINC000185689335 548020480 /nfs/dbraw/zinc/02/04/80/548020480.db2.gz ZWLYGUDGXLWPDE-UHFFFAOYSA-N -1 3 356.422 2.237 20 10 FECDHM COCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000267427164 550031523 /nfs/dbraw/zinc/03/15/23/550031523.db2.gz BOUOPBXQBMAKJH-TZMCWYRMSA-N -1 3 366.433 2.097 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccs1 ZINC000269671236 550215549 /nfs/dbraw/zinc/21/55/49/550215549.db2.gz AHRRXNRHERCNCH-UHFFFAOYSA-N -1 3 366.508 2.435 20 10 FECDHM CC(C)C[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000271978163 550414114 /nfs/dbraw/zinc/41/41/14/550414114.db2.gz LVWGUDKSIVMMRQ-OCCSQVGLSA-N -1 3 370.471 2.087 20 10 FECDHM COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000276669892 550583578 /nfs/dbraw/zinc/58/35/78/550583578.db2.gz URIGQCQMRAOTAG-FUHWJXTLSA-N -1 3 357.406 2.079 20 10 FECDHM Cc1ccc(C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)c([O-])c1O ZINC000277275990 550650975 /nfs/dbraw/zinc/65/09/75/550650975.db2.gz MZJASTNBWBXMEC-UHFFFAOYSA-N -1 3 367.327 2.181 20 10 FECDHM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)cc2nn[n-]c21 ZINC000277400978 550666019 /nfs/dbraw/zinc/66/60/19/550666019.db2.gz KZJDELYUKVBMCU-UHFFFAOYSA-N -1 3 373.363 2.003 20 10 FECDHM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)cc2[n-]nnc21 ZINC000277400978 550666021 /nfs/dbraw/zinc/66/60/21/550666021.db2.gz KZJDELYUKVBMCU-UHFFFAOYSA-N -1 3 373.363 2.003 20 10 FECDHM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)cc2n[n-]nc21 ZINC000277400978 550666023 /nfs/dbraw/zinc/66/60/23/550666023.db2.gz KZJDELYUKVBMCU-UHFFFAOYSA-N -1 3 373.363 2.003 20 10 FECDHM Cn1cc(CCCN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cn1 ZINC000277756218 550710520 /nfs/dbraw/zinc/71/05/20/550710520.db2.gz JTMLPYXEDSHEMH-UHFFFAOYSA-N -1 3 362.817 2.176 20 10 FECDHM COc1ccc([C@@H](CO)N(C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278166059 550756364 /nfs/dbraw/zinc/75/63/64/550756364.db2.gz FFBXJALPOKXCNA-MRXNPFEDSA-N -1 3 362.382 2.483 20 10 FECDHM CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2 ZINC000278272236 550767455 /nfs/dbraw/zinc/76/74/55/550767455.db2.gz RUHSQYVFPPWIOA-GJZGRUSLSA-N -1 3 366.414 2.061 20 10 FECDHM C[C@H](N[C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(F)c(F)c1[O-] ZINC000278975754 550842148 /nfs/dbraw/zinc/84/21/48/550842148.db2.gz OCOPIHQENDCCSR-NWDGAFQWSA-N -1 3 364.396 2.084 20 10 FECDHM O=S(=O)(C1CCN(Cc2cccc(Cl)c2[O-])CC1)N1CCCC1 ZINC000282422899 551226797 /nfs/dbraw/zinc/22/67/97/551226797.db2.gz DWHKUSMXBFXMNW-UHFFFAOYSA-N -1 3 358.891 2.436 20 10 FECDHM COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2Cc2cc(F)cc(C(C)=O)c2[O-])O1 ZINC000282484928 551235752 /nfs/dbraw/zinc/23/57/52/551235752.db2.gz PEIBIKSWUUJZQN-JXKQKZCASA-N -1 3 365.401 2.417 20 10 FECDHM CCn1nccc1CCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000284477170 551557770 /nfs/dbraw/zinc/55/77/70/551557770.db2.gz SXMMYAMVXXPDGM-UHFFFAOYSA-N -1 3 351.834 2.480 20 10 FECDHM CCOC(=O)C1([S@](C)=O)CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000294889570 552941739 /nfs/dbraw/zinc/94/17/39/552941739.db2.gz WIEYCIPIRQHELC-QHCPKHFHSA-N -1 3 359.875 2.322 20 10 FECDHM COC[C@]1(C(=O)OC)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000295139978 552962806 /nfs/dbraw/zinc/96/28/06/552962806.db2.gz ZKTXXHYXQDUCLI-HNNXBMFYSA-N -1 3 358.232 2.166 20 10 FECDHM O=C1[C@@H](N(Cc2ccccc2[O-])C[C@@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473059 555114105 /nfs/dbraw/zinc/11/41/05/555114105.db2.gz XTWLQQCXANBEQQ-OALUTQOASA-N -1 3 374.481 2.153 20 10 FECDHM Cc1csc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000363933598 555216970 /nfs/dbraw/zinc/21/69/70/555216970.db2.gz UHCLUWWIXONCBH-NSHDSACASA-N -1 3 361.423 2.354 20 10 FECDHM O=C(N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(O)c1[O-] ZINC000366172123 555771239 /nfs/dbraw/zinc/77/12/39/555771239.db2.gz PPEICSQBFRLGTH-CYBMUJFWSA-N -1 3 368.368 2.240 20 10 FECDHM O=C1[C@@H]2CN(Cc3cc(F)ccc3[O-])CCN2C(=O)N1c1ccccc1 ZINC000367818399 556146888 /nfs/dbraw/zinc/14/68/88/556146888.db2.gz HOZGFVAHKWGTIJ-INIZCTEOSA-N -1 3 355.369 2.184 20 10 FECDHM CN(C)c1ccc(C2=CCN(C(=O)c3cnc4c(cnn4C)c3[O-])C2)cc1 ZINC000367983449 556187691 /nfs/dbraw/zinc/18/76/91/556187691.db2.gz JHANYHHIEKROBY-UHFFFAOYSA-N -1 3 363.421 2.279 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000373510792 557708255 /nfs/dbraw/zinc/70/82/55/557708255.db2.gz WTPKBYABRUCTLQ-UHFFFAOYSA-N -1 3 367.327 2.474 20 10 FECDHM COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c(O)c1 ZINC000373659356 557733278 /nfs/dbraw/zinc/73/32/78/557733278.db2.gz JWXYHDSZJPUSNX-MRXNPFEDSA-N -1 3 370.405 2.027 20 10 FECDHM CN(C)c1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000736773746 598378246 /nfs/dbraw/zinc/37/82/46/598378246.db2.gz OBHOIIIABVMLAE-LFIBNONCSA-N -1 3 360.377 2.277 20 10 FECDHM CN(C)c1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000736773746 598378247 /nfs/dbraw/zinc/37/82/47/598378247.db2.gz OBHOIIIABVMLAE-LFIBNONCSA-N -1 3 360.377 2.277 20 10 FECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823540633 607457522 /nfs/dbraw/zinc/45/75/22/607457522.db2.gz ILZYOTWGJHPZEO-UKTHLTGXSA-N -1 3 358.402 2.462 20 10 FECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823540633 607457525 /nfs/dbraw/zinc/45/75/25/607457525.db2.gz ILZYOTWGJHPZEO-UKTHLTGXSA-N -1 3 358.402 2.462 20 10 FECDHM COc1ccc(N(C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821828144 606887769 /nfs/dbraw/zinc/88/77/69/606887769.db2.gz RDYICTOCILVWIZ-HNNXBMFYSA-N -1 3 355.398 2.054 20 10 FECDHM COc1ccc(N(C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821828144 606887772 /nfs/dbraw/zinc/88/77/72/606887772.db2.gz RDYICTOCILVWIZ-HNNXBMFYSA-N -1 3 355.398 2.054 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825879752 609453038 /nfs/dbraw/zinc/45/30/38/609453038.db2.gz RBMGWMZKUULCQL-UHFFFAOYSA-N -1 3 365.397 2.364 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825879752 609453040 /nfs/dbraw/zinc/45/30/40/609453040.db2.gz RBMGWMZKUULCQL-UHFFFAOYSA-N -1 3 365.397 2.364 20 10 FECDHM Cc1nc(C(C)C)oc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000816718373 675074864 /nfs/dbraw/zinc/07/48/64/675074864.db2.gz ORYHGSWNPQGALY-UHFFFAOYSA-N -1 3 367.427 2.114 20 10 FECDHM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2cc(Cl)ccc2[O-])C1 ZINC000092964615 670746868 /nfs/dbraw/zinc/74/68/68/670746868.db2.gz GYAYXPTZQKWUQN-CYBMUJFWSA-N -1 3 368.861 2.279 20 10 FECDHM O=C(CN1CCN(Cc2cc(Cl)ccc2[O-])CC1)N1CCCCC1 ZINC000121849509 671958507 /nfs/dbraw/zinc/95/85/07/671958507.db2.gz UQZNMQOKSQJPDE-UHFFFAOYSA-N -1 3 351.878 2.176 20 10 FECDHM C[C@H]1Cc2ccccc2CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179614186 672403959 /nfs/dbraw/zinc/40/39/59/672403959.db2.gz GHNCQDHOCUOQJY-LBPRGKRZSA-N -1 3 360.435 2.351 20 10 FECDHM CCCCCCN(CCN1CCOCC1)C(=O)c1cccc(O)c1[O-] ZINC000192990331 672708697 /nfs/dbraw/zinc/70/86/97/672708697.db2.gz JWDYBNYJRKVJPR-UHFFFAOYSA-N -1 3 350.459 2.453 20 10 FECDHM CC(C)CCO[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000267834980 672941501 /nfs/dbraw/zinc/94/15/01/672941501.db2.gz JMRJIIJGBDACTI-CQSZACIVSA-N -1 3 370.471 2.041 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000743654061 673767374 /nfs/dbraw/zinc/76/73/74/673767374.db2.gz CHUSFFVGEFXPEO-UKRRQHHQSA-N -1 3 352.456 2.462 20 10 FECDHM CC(C)N(CCS(C)(=O)=O)Cc1ccc(Br)cc1[O-] ZINC000824876585 675626426 /nfs/dbraw/zinc/62/64/26/675626426.db2.gz BHXZFDHSNSOCKO-UHFFFAOYSA-N -1 3 350.278 2.410 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)C[C@@H]2C2CCC2)c1[O-] ZINC000839630083 680767926 /nfs/dbraw/zinc/76/79/26/680767926.db2.gz QGBAQIDGWXTQMZ-MRXNPFEDSA-N -1 3 355.431 2.133 20 10 FECDHM CC(C)n1cc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000764238508 680803547 /nfs/dbraw/zinc/80/35/47/680803547.db2.gz YQAXMPKUCPWJHK-NSHDSACASA-N -1 3 366.443 2.032 20 10 FECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccccc2S(C)(=O)=O)c1 ZINC000840867509 680847968 /nfs/dbraw/zinc/84/79/68/680847968.db2.gz QOISVXLEZITYFJ-GFCCVEGCSA-N -1 3 363.435 2.433 20 10 FECDHM Cc1nc(NC(=O)c2ccc(C)c(O)c2[O-])sc1SCC(N)=O ZINC000751533016 680185878 /nfs/dbraw/zinc/18/58/78/680185878.db2.gz JHZUWCOKSCVAOD-UHFFFAOYSA-N -1 3 353.425 2.001 20 10 FECDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCCCO1 ZINC000759093006 680625962 /nfs/dbraw/zinc/62/59/62/680625962.db2.gz HHRWSZPECXNOCQ-HNNXBMFYSA-N -1 3 370.471 2.089 20 10 FECDHM Cc1cc(N(C)C)ccc1C[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000841571602 680900520 /nfs/dbraw/zinc/90/05/20/680900520.db2.gz ZKWXBWIJQXQRJQ-GFCCVEGCSA-N -1 3 370.906 2.357 20 10 FECDHM Cc1cc(Br)cc(C[NH2+]CC2(C(=O)[O-])CCOCC2)c1[O-] ZINC000843037695 680984203 /nfs/dbraw/zinc/98/42/03/680984203.db2.gz AWTNJGISKAKHKG-UHFFFAOYSA-N -1 3 358.232 2.434 20 10 FECDHM CNC(=O)CCOC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000770287696 681011894 /nfs/dbraw/zinc/01/18/94/681011894.db2.gz ZNULEXCONOMJSU-UHFFFAOYSA-N -1 3 371.275 2.272 20 10 FECDHM Cc1ccc([C@@H]2C[C@H]2NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000843995139 681030069 /nfs/dbraw/zinc/03/00/69/681030069.db2.gz LIKHYJQFYLQXHO-GOEBONIOSA-N -1 3 360.435 2.358 20 10 FECDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1[O-] ZINC000844743878 681078965 /nfs/dbraw/zinc/07/89/65/681078965.db2.gz FBKWVIWNTJHQIJ-KXTXEXGHSA-N -1 3 357.431 2.034 20 10 FECDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1[O-] ZINC000844743878 681078969 /nfs/dbraw/zinc/07/89/69/681078969.db2.gz FBKWVIWNTJHQIJ-KXTXEXGHSA-N -1 3 357.431 2.034 20 10 FECDHM C[C@]1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@]1(F)Cl ZINC000846414300 681238083 /nfs/dbraw/zinc/23/80/83/681238083.db2.gz WWZGLEWMBDUIJV-UONOGXRCSA-N -1 3 364.826 2.198 20 10 FECDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1N1CCCS1(=O)=O ZINC000776660724 681423502 /nfs/dbraw/zinc/42/35/02/681423502.db2.gz MAQWBRAFWNMJBQ-UHFFFAOYSA-N -1 3 362.407 2.198 20 10 FECDHM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c([O-])c1O ZINC000780862045 681878399 /nfs/dbraw/zinc/87/83/99/681878399.db2.gz NBRFOSHAOOCHDD-UHFFFAOYSA-N -1 3 362.407 2.099 20 10 FECDHM C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853622305 682446980 /nfs/dbraw/zinc/44/69/80/682446980.db2.gz WHEIEACLMRTJDK-KOLCDFICSA-N -1 3 360.332 2.010 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C3CCC3)C2)c1 ZINC000856174516 682750495 /nfs/dbraw/zinc/75/04/95/682750495.db2.gz ZGJNODPIHPAALI-ZDUSSCGKSA-N -1 3 352.456 2.416 20 10 FECDHM O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ncccc1[O-] ZINC000792036241 682782894 /nfs/dbraw/zinc/78/28/94/682782894.db2.gz RLSIDRWISWIYMX-UHFFFAOYSA-N -1 3 358.467 2.340 20 10 FECDHM CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC1(C)C ZINC000927916257 683340637 /nfs/dbraw/zinc/34/06/37/683340637.db2.gz ZKIHPHCHSHLRBF-ZDUSSCGKSA-N -1 3 350.415 2.473 20 10 FECDHM CN(C)C(=O)N[C@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862391933 683582914 /nfs/dbraw/zinc/58/29/14/683582914.db2.gz XICNULGCTCHNHK-NSHDSACASA-N -1 3 356.264 2.390 20 10 FECDHM CNC(=O)CC1(CNC(=O)NCc2c([O-])cccc2F)CCCCC1 ZINC000923328966 684263654 /nfs/dbraw/zinc/26/36/54/684263654.db2.gz NQJMHQJPCRYMAF-UHFFFAOYSA-N -1 3 351.422 2.417 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](OC)C1CCOCC1 ZINC000876716046 686252020 /nfs/dbraw/zinc/25/20/20/686252020.db2.gz VWYIJNVBQJDISC-KRWDZBQOSA-N -1 3 371.861 2.462 20 10 FECDHM [O-]c1ccc(Br)cc1CNCc1cn(C[C@@H]2CCCO2)nn1 ZINC000877520890 686400217 /nfs/dbraw/zinc/40/02/17/686400217.db2.gz JXJFYEFWWHAUQA-AWEZNQCLSA-N -1 3 367.247 2.215 20 10 FECDHM CCOC(=O)Cn1cnc(NCc2cc(C)cc(Br)c2[O-])n1 ZINC000819145906 675264348 /nfs/dbraw/zinc/26/43/48/675264348.db2.gz JCXVTUHYBNDVOO-UHFFFAOYSA-N -1 3 369.219 2.230 20 10 FECDHM Cc1nc(C)c(CCC(=O)NCc2ccc3c(c2)CCCN3C)c(=O)[n-]1 ZINC000058769994 540855714 /nfs/dbraw/zinc/85/57/14/540855714.db2.gz PHJHSPGXMYBAIA-UHFFFAOYSA-N -1 3 354.454 2.018 20 10 FECDHM COc1cc(Br)cc(CN(C)[C@@H]2CCCCNC2=O)c1[O-] ZINC000123843719 543786463 /nfs/dbraw/zinc/78/64/63/543786463.db2.gz AYLKIQXIGOZUQR-GFCCVEGCSA-N -1 3 357.248 2.264 20 10 FECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnns1 ZINC000134264528 544301235 /nfs/dbraw/zinc/30/12/35/544301235.db2.gz PCJIUWYCOWQRQA-GFCCVEGCSA-N -1 3 352.847 2.292 20 10 FECDHM Cc1nn(C)cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158089884 545820503 /nfs/dbraw/zinc/82/05/03/545820503.db2.gz UVXRICHFEUXYCN-HNNXBMFYSA-N -1 3 362.861 2.482 20 10 FECDHM Cc1ccc([C@H](CNC(=O)c2ccc(C)c(O)c2[O-])N2CCOCC2)o1 ZINC000177663923 546663321 /nfs/dbraw/zinc/66/33/21/546663321.db2.gz FLOLPLVWSYPSGS-HNNXBMFYSA-N -1 3 360.410 2.111 20 10 FECDHM O=C(CN1CCCN(Cc2cccc(Cl)c2[O-])CC1)N1CCCC1 ZINC000179676480 546996307 /nfs/dbraw/zinc/99/63/07/546996307.db2.gz ZKNCZVCVPZRNCP-UHFFFAOYSA-N -1 3 351.878 2.176 20 10 FECDHM C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000185179657 547946654 /nfs/dbraw/zinc/94/66/54/547946654.db2.gz QDHCMQUTZNHZHL-SSDOTTSWSA-N -1 3 355.154 2.484 20 10 FECDHM C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000185179635 547946906 /nfs/dbraw/zinc/94/69/06/547946906.db2.gz QDHCMQUTZNHZHL-ZETCQYMHSA-N -1 3 355.154 2.484 20 10 FECDHM C[C@@H](NCCS(=O)(=O)NCc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187668053 548261565 /nfs/dbraw/zinc/26/15/65/548261565.db2.gz YNKZQMJEGGYJFK-GFCCVEGCSA-N -1 3 370.421 2.441 20 10 FECDHM COC(=O)CN(Cc1nnc2n1CCCC2)Cc1cc(Cl)ccc1[O-] ZINC000264744484 550000988 /nfs/dbraw/zinc/00/09/88/550000988.db2.gz UVTFQGCBPLYSSW-UHFFFAOYSA-N -1 3 364.833 2.149 20 10 FECDHM CCc1cnc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000267010316 550026407 /nfs/dbraw/zinc/02/64/07/550026407.db2.gz HDJVSLNVTBZMCW-UHFFFAOYSA-N -1 3 369.468 2.055 20 10 FECDHM CCCOc1ccc(CN2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)c([O-])c1 ZINC000272524277 550455822 /nfs/dbraw/zinc/45/58/22/550455822.db2.gz LSAGRGFUGPDEOH-CZUORRHYSA-N -1 3 365.426 2.108 20 10 FECDHM Cc1nccn1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277640239 550695555 /nfs/dbraw/zinc/69/55/55/550695555.db2.gz XSRQVEJQJHEKOP-UHFFFAOYSA-N -1 3 353.220 2.159 20 10 FECDHM CCC[C@]1(COC)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000278142271 550753683 /nfs/dbraw/zinc/75/36/83/550753683.db2.gz WQUJOSGZEQDGHN-QGZVFWFLSA-N -1 3 370.471 2.185 20 10 FECDHM COCCO[C@H]1C[C@H](CO)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000278766319 550819917 /nfs/dbraw/zinc/81/99/17/550819917.db2.gz UFSQSWCRMVYCLC-WFASDCNBSA-N -1 3 374.275 2.001 20 10 FECDHM COc1cc(OC)cc(N2CCCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000279245345 550869250 /nfs/dbraw/zinc/86/92/50/550869250.db2.gz HMTAJVQXINHWIE-UHFFFAOYSA-N -1 3 372.421 2.468 20 10 FECDHM Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c([O-])c1O ZINC000280589381 551010789 /nfs/dbraw/zinc/01/07/89/551010789.db2.gz BAVMJDUOJYULLG-MSOLQXFVSA-N -1 3 368.433 2.132 20 10 FECDHM C[C@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285780419 551809635 /nfs/dbraw/zinc/80/96/35/551809635.db2.gz UPZIIMCMIQMTKO-HZMBPMFUSA-N -1 3 363.336 2.214 20 10 FECDHM CCNC(=O)OC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289383460 552312105 /nfs/dbraw/zinc/31/21/05/552312105.db2.gz MRXHUGQENLPCAU-ZDUSSCGKSA-N -1 3 367.402 2.410 20 10 FECDHM Cn1ccc(N2CCC[C@H](NCc3cc(Cl)c(F)cc3[O-])C2=O)n1 ZINC000293686511 552847194 /nfs/dbraw/zinc/84/71/94/552847194.db2.gz RWLIKLHSPZLLSY-ZDUSSCGKSA-N -1 3 352.797 2.203 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cc(C2CC2)n[nH]1 ZINC000294957213 552947136 /nfs/dbraw/zinc/94/71/36/552947136.db2.gz MOZSUPQIUWILED-UHFFFAOYSA-N -1 3 363.801 2.462 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCN([C@@H]3CCCN(C)C3)CC2)c1[O-] ZINC000364231775 555274915 /nfs/dbraw/zinc/27/49/15/555274915.db2.gz QPZQYPQSCSQJPZ-QGZVFWFLSA-N -1 3 365.905 2.460 20 10 FECDHM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000365680773 555639412 /nfs/dbraw/zinc/63/94/12/555639412.db2.gz SANTYQUPGOGIKZ-HWPZZCPQSA-N -1 3 362.407 2.016 20 10 FECDHM Cc1nnc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000365990891 555719850 /nfs/dbraw/zinc/71/98/50/555719850.db2.gz BRMFAIUDMRRNKA-CQSZACIVSA-N -1 3 364.833 2.060 20 10 FECDHM COc1c([O-])c(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366791233 555934867 /nfs/dbraw/zinc/93/48/67/555934867.db2.gz CGSGBBDQLUSZIE-VBHSOAQHSA-N -1 3 366.414 2.467 20 10 FECDHM COc1c([O-])c(CN2CCN(c3ccc(F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000367721409 556122747 /nfs/dbraw/zinc/12/27/47/556122747.db2.gz OAFDAGHTIGDASI-UHFFFAOYSA-N -1 3 362.361 2.165 20 10 FECDHM COc1cc(Br)cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1[O-] ZINC000368972680 556464170 /nfs/dbraw/zinc/46/41/70/556464170.db2.gz HHFNGFVFLXDFEA-WFBYXXMGSA-N -1 3 369.259 2.249 20 10 FECDHM COC(=O)C1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000372088766 557377337 /nfs/dbraw/zinc/37/73/37/557377337.db2.gz PHLFOULYDQGDMT-AWEZNQCLSA-N -1 3 366.845 2.079 20 10 FECDHM Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)no1 ZINC000372548919 557500934 /nfs/dbraw/zinc/50/09/34/557500934.db2.gz WGVKHJVPBVWJBQ-AWEZNQCLSA-N -1 3 374.441 2.224 20 10 FECDHM Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c([O-])c1O ZINC000373054726 557618106 /nfs/dbraw/zinc/61/81/06/557618106.db2.gz WRKVFSCEBQBKDT-TZMCWYRMSA-N -1 3 362.426 2.488 20 10 FECDHM CS(=O)(=O)N1CCN(Cc2cc(F)ccc2[O-])Cc2ccccc21 ZINC000374894085 557947070 /nfs/dbraw/zinc/94/70/70/557947070.db2.gz KGJFJCHJHFFMCY-UHFFFAOYSA-N -1 3 350.415 2.313 20 10 FECDHM CC(C)n1cc(CN2CCCN(C(=O)c3cccc(O)c3[O-])CC2)cn1 ZINC000376551643 558189349 /nfs/dbraw/zinc/18/93/49/558189349.db2.gz KCCHZVPBLVTLIM-UHFFFAOYSA-N -1 3 358.442 2.223 20 10 FECDHM COCCCOCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378446846 558559556 /nfs/dbraw/zinc/55/95/56/558559556.db2.gz DBOZORMGVSMHEK-MRXNPFEDSA-N -1 3 370.877 2.179 20 10 FECDHM Cc1cc(C(=O)Nc2cnn(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238930 598610973 /nfs/dbraw/zinc/61/09/73/598610973.db2.gz UYCJWBBNZUIZEN-UHFFFAOYSA-N -1 3 362.397 2.260 20 10 FECDHM COc1ccc(O)c([C@@H](C)NCC(=O)NCc2ccc(NC(=O)[O-])cc2)c1 ZINC000833733426 605125260 /nfs/dbraw/zinc/12/52/60/605125260.db2.gz HRYQRMQMMZIFNH-GFCCVEGCSA-N -1 3 373.409 2.458 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821837791 606596271 /nfs/dbraw/zinc/59/62/71/606596271.db2.gz HPTNEGPYGWFKTK-LLVKDONJSA-N -1 3 353.382 2.001 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821837791 606596272 /nfs/dbraw/zinc/59/62/72/606596272.db2.gz HPTNEGPYGWFKTK-LLVKDONJSA-N -1 3 353.382 2.001 20 10 FECDHM CCc1nnc(NCc2cccc(OC)c2O)c(-c2nnn[n-]2)c1CC ZINC000821542636 606931243 /nfs/dbraw/zinc/93/12/43/606931243.db2.gz VMNBWGOTPTWRHQ-UHFFFAOYSA-N -1 3 355.402 2.108 20 10 FECDHM CCc1nnc(NCc2cccc(OC)c2O)c(-c2nn[n-]n2)c1CC ZINC000821542636 606931244 /nfs/dbraw/zinc/93/12/44/606931244.db2.gz VMNBWGOTPTWRHQ-UHFFFAOYSA-N -1 3 355.402 2.108 20 10 FECDHM CN(Cc1cc2c(cc1O)OC[C@@H]2O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825954109 608545478 /nfs/dbraw/zinc/54/54/78/608545478.db2.gz VYEDQDBSDQXFDL-HNNXBMFYSA-N -1 3 373.800 2.288 20 10 FECDHM CN(Cc1cc2c(cc1O)OC[C@@H]2O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825954109 608545480 /nfs/dbraw/zinc/54/54/80/608545480.db2.gz VYEDQDBSDQXFDL-HNNXBMFYSA-N -1 3 373.800 2.288 20 10 FECDHM COCCN(C(=O)C=Cc1cnccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157409 609502355 /nfs/dbraw/zinc/50/23/55/609502355.db2.gz UOTMIANHGGLFTE-YVMONPNESA-N -1 3 364.409 2.263 20 10 FECDHM COCCN(C(=O)C=Cc1cnccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157409 609502357 /nfs/dbraw/zinc/50/23/57/609502357.db2.gz UOTMIANHGGLFTE-YVMONPNESA-N -1 3 364.409 2.263 20 10 FECDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C#N)cc1 ZINC000055218119 670348094 /nfs/dbraw/zinc/34/80/94/670348094.db2.gz JAKFJVGVKNXUCE-NSHDSACASA-N -1 3 359.407 2.126 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000743632495 673766200 /nfs/dbraw/zinc/76/62/00/673766200.db2.gz HAPFNUAHSDKOAK-CJNGLKHVSA-N -1 3 360.435 2.125 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000743711859 673770161 /nfs/dbraw/zinc/77/01/61/673770161.db2.gz DCURYDJQLMJJKP-YNEHKIRRSA-N -1 3 352.456 2.462 20 10 FECDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000746702654 673890707 /nfs/dbraw/zinc/89/07/07/673890707.db2.gz UEYVAGDKDMAXJD-UHFFFAOYSA-N -1 3 372.443 2.218 20 10 FECDHM Cc1cn(C)nc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839708150 680773539 /nfs/dbraw/zinc/77/35/39/680773539.db2.gz KLGFUXUZWFCFAO-HNNXBMFYSA-N -1 3 362.861 2.482 20 10 FECDHM CCN(Cc1occc1C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000839886334 680785926 /nfs/dbraw/zinc/78/59/26/680785926.db2.gz AHEALLURIYCBAN-UHFFFAOYSA-N -1 3 352.412 2.327 20 10 FECDHM COc1ccc(O)c(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000751415756 680172818 /nfs/dbraw/zinc/17/28/18/680172818.db2.gz WTJQZHANQSDTEN-UHFFFAOYSA-N -1 3 366.395 2.404 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1[O-] ZINC000753849601 680320284 /nfs/dbraw/zinc/32/02/84/680320284.db2.gz GUQRESWEVWMFOW-HOTGVXAUSA-N -1 3 355.431 2.276 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000836885980 680527583 /nfs/dbraw/zinc/52/75/83/680527583.db2.gz RVQJZZQZUORUQQ-ZBFHGGJFSA-N -1 3 350.440 2.024 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@]3(CCSC3)C2)c1 ZINC000837104094 680553126 /nfs/dbraw/zinc/55/31/26/680553126.db2.gz SXMAQZFECHICDQ-INIZCTEOSA-N -1 3 370.496 2.123 20 10 FECDHM Cc1cc(Br)cc(C[NH2+][C@@H](C(=O)[O-])c2ccnn2C)c1[O-] ZINC000843040847 680984373 /nfs/dbraw/zinc/98/43/73/680984373.db2.gz ZIEGYHHCLWHXIM-GFCCVEGCSA-N -1 3 354.204 2.112 20 10 FECDHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773082754 681125005 /nfs/dbraw/zinc/12/50/05/681125005.db2.gz ACBBMMWWEPTDAD-JTQLQIEISA-N -1 3 369.468 2.035 20 10 FECDHM C[C@@H]1C[C@H](NCc2cc(Cl)cc(F)c2[O-])C(=O)N1c1cnn(C)c1 ZINC000776224567 681374456 /nfs/dbraw/zinc/37/44/56/681374456.db2.gz UHEVORMSEJEIQE-OTYXRUKQSA-N -1 3 352.797 2.202 20 10 FECDHM C[C@H](N[C@@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1[O-] ZINC000858434806 682968284 /nfs/dbraw/zinc/96/82/84/682968284.db2.gz PZVDPIIYRDDCCR-UFBFGSQYSA-N -1 3 358.211 2.412 20 10 FECDHM CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000927044608 683202556 /nfs/dbraw/zinc/20/25/56/683202556.db2.gz IKVWLZROXGQRMB-LLVKDONJSA-N -1 3 353.394 2.340 20 10 FECDHM CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000860196839 683214718 /nfs/dbraw/zinc/21/47/18/683214718.db2.gz KXIWBFJCZRQOSI-GFCCVEGCSA-N -1 3 374.890 2.009 20 10 FECDHM O=S(=O)(NCc1c([O-])cccc1F)c1cccc2c1OCCCO2 ZINC000921451938 683472393 /nfs/dbraw/zinc/47/23/93/683472393.db2.gz ZCPQLLKUZHBDJJ-UHFFFAOYSA-N -1 3 353.371 2.171 20 10 FECDHM COC(=O)C1=NO[C@@]2(CCN(Cc3cccc(Br)c3[O-])C2)C1 ZINC000877714701 686443484 /nfs/dbraw/zinc/44/34/84/686443484.db2.gz QFBMGKRPRXXFBL-HNNXBMFYSA-N -1 3 369.215 2.049 20 10 FECDHM COc1c([O-])c([C@H]2NC(=O)c3cc(F)c(F)cc3N2)ccc1[N+](=O)[O-] ZINC000877859941 686474670 /nfs/dbraw/zinc/47/46/70/686474670.db2.gz WAHQMDSPSZVHSV-CQSZACIVSA-N -1 3 351.265 2.441 20 10 FECDHM CCCN(CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1ccccc1[O-] ZINC000068973640 541646132 /nfs/dbraw/zinc/64/61/32/541646132.db2.gz NRNSKTQCWPFYLG-INIZCTEOSA-N -1 3 361.486 2.121 20 10 FECDHM Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)Cc3ccccc3[O-])n12 ZINC000109771976 543338792 /nfs/dbraw/zinc/33/87/92/543338792.db2.gz NNKZJNZCFUKLOE-UHFFFAOYSA-N -1 3 363.421 2.227 20 10 FECDHM CCOC(=O)c1c[n-]n(C2CC[NH+](Cc3cc(C)ccc3[O-])CC2)c1=N ZINC000128263830 544041873 /nfs/dbraw/zinc/04/18/73/544041873.db2.gz IRZXAVDQNJPFOX-UHFFFAOYSA-N -1 3 358.442 2.323 20 10 FECDHM O=C(C[C@H]1COC(=O)C1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134269653 544301070 /nfs/dbraw/zinc/30/10/70/544301070.db2.gz AEPZZRWNKALUGG-IUODEOHRSA-N -1 3 366.845 2.079 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000187293715 548254921 /nfs/dbraw/zinc/25/49/21/548254921.db2.gz KAIIRPNTXYGQOF-UHFFFAOYSA-N -1 3 372.446 2.451 20 10 FECDHM O=C1[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccc(F)cc1 ZINC000191762649 548350246 /nfs/dbraw/zinc/35/02/46/548350246.db2.gz BQYPVQJSIRZAQE-MRXNPFEDSA-N -1 3 359.357 2.330 20 10 FECDHM COC(=O)CN(Cc1nc([C@@H](C)OC)no1)Cc1cc(Cl)ccc1[O-] ZINC000267002579 550026382 /nfs/dbraw/zinc/02/63/82/550026382.db2.gz HYXMBMXKAZEDMK-SNVBAGLBSA-N -1 3 369.805 2.311 20 10 FECDHM CO[C@@H](C)c1noc(CN2CCCN(Cc3cc(F)ccc3[O-])CC2)n1 ZINC000272442198 550448311 /nfs/dbraw/zinc/44/83/11/550448311.db2.gz ORXCCIAWBXZDHY-ZDUSSCGKSA-N -1 3 364.421 2.330 20 10 FECDHM Cc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c([O-])c1O ZINC000272710238 550466307 /nfs/dbraw/zinc/46/63/07/550466307.db2.gz CJSUPBWCYVDCTF-UHFFFAOYSA-N -1 3 370.405 2.060 20 10 FECDHM COc1c([O-])c(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143720 550754182 /nfs/dbraw/zinc/75/41/82/550754182.db2.gz BJEYLRAKHNKVCF-MFKMUULPSA-N -1 3 350.293 2.197 20 10 FECDHM COc1c([O-])c(CNCc2cccc(C(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000278570114 550800177 /nfs/dbraw/zinc/80/01/77/550800177.db2.gz CSLYVXGQLYSSJU-UHFFFAOYSA-N -1 3 359.382 2.301 20 10 FECDHM COC(=O)CN(Cc1ncnn1C(C)C)Cc1cc(Cl)ccc1[O-] ZINC000279966578 550948082 /nfs/dbraw/zinc/94/80/82/550948082.db2.gz ISVVATFZBZXGAI-UHFFFAOYSA-N -1 3 352.822 2.393 20 10 FECDHM CCCCN(Cc1nc(CS(C)(=O)=O)no1)Cc1ccccc1[O-] ZINC000282372961 551219341 /nfs/dbraw/zinc/21/93/41/551219341.db2.gz FJHZXULJZHFHFQ-UHFFFAOYSA-N -1 3 353.444 2.122 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cnnn1C ZINC000288755309 552206364 /nfs/dbraw/zinc/20/63/64/552206364.db2.gz DNAAJPHTARODIZ-UHFFFAOYSA-N -1 3 368.235 2.015 20 10 FECDHM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292788514 552758800 /nfs/dbraw/zinc/75/88/00/552758800.db2.gz MFBIIXPMTWCJOQ-LLVKDONJSA-N -1 3 353.271 2.165 20 10 FECDHM COCCCN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000294951379 552946718 /nfs/dbraw/zinc/94/67/18/552946718.db2.gz QEERCAWBBAFJEP-GFCCVEGCSA-N -1 3 365.854 2.210 20 10 FECDHM CCOc1cc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])on1 ZINC000294993129 552949916 /nfs/dbraw/zinc/94/99/16/552949916.db2.gz QQAWISMXSRXAFO-UHFFFAOYSA-N -1 3 368.773 2.248 20 10 FECDHM [O-]c1cccc(Cl)c1CNC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000296457434 553163061 /nfs/dbraw/zinc/16/30/61/553163061.db2.gz OOPKLNFWFGNJCL-LLVKDONJSA-N -1 3 351.786 2.304 20 10 FECDHM COCc1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])no1 ZINC000297745342 553333674 /nfs/dbraw/zinc/33/36/74/553333674.db2.gz KRQOCBDRCDWHSG-UHFFFAOYSA-N -1 3 354.790 2.355 20 10 FECDHM CCc1noc([C@H]2C[C@H](O)CN2Cc2cc(Br)ccc2[O-])n1 ZINC000369781961 556693432 /nfs/dbraw/zinc/69/34/32/556693432.db2.gz BGCLHESLJLDMBR-NWDGAFQWSA-N -1 3 368.231 2.408 20 10 FECDHM COc1cc(Cl)cc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1[O-] ZINC000375363433 558015704 /nfs/dbraw/zinc/01/57/04/558015704.db2.gz SZQGKKCJJWOUKR-NXEZZACHSA-N -1 3 352.740 2.150 20 10 FECDHM Cc1cc(Br)cc(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c1[O-] ZINC000377697289 558399531 /nfs/dbraw/zinc/39/95/31/558399531.db2.gz OHIDLYUISPJFAH-GXFFZTMASA-N -1 3 360.273 2.082 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737271116 599017575 /nfs/dbraw/zinc/01/75/75/599017575.db2.gz RQMJLTFKQRDDJH-UHFFFAOYSA-N -1 3 364.453 2.490 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737271116 599017577 /nfs/dbraw/zinc/01/75/77/599017577.db2.gz RQMJLTFKQRDDJH-UHFFFAOYSA-N -1 3 364.453 2.490 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737271353 599105376 /nfs/dbraw/zinc/10/53/76/599105376.db2.gz TYBYOGUYDJZMLN-UHFFFAOYSA-N -1 3 365.441 2.241 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737271353 599105377 /nfs/dbraw/zinc/10/53/77/599105377.db2.gz TYBYOGUYDJZMLN-UHFFFAOYSA-N -1 3 365.441 2.241 20 10 FECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736820602 598235733 /nfs/dbraw/zinc/23/57/33/598235733.db2.gz YYFHEZIRKAIFKC-UHFFFAOYSA-N -1 3 368.416 2.479 20 10 FECDHM Cc1cc(C(=O)NCc2cocn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236956 598467146 /nfs/dbraw/zinc/46/71/46/598467146.db2.gz VVJLVEZDCAXUOA-UHFFFAOYSA-N -1 3 363.381 2.192 20 10 FECDHM Cc1cc(C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233510 598608960 /nfs/dbraw/zinc/60/89/60/598608960.db2.gz FOWONUPNPSBOLC-INIZCTEOSA-N -1 3 366.425 2.183 20 10 FECDHM COCC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736980125 598611571 /nfs/dbraw/zinc/61/15/71/598611571.db2.gz WCSAKHPEIJECRM-GFCCVEGCSA-N -1 3 368.441 2.429 20 10 FECDHM CC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735458402 598622575 /nfs/dbraw/zinc/62/25/75/598622575.db2.gz MYCNCLRTWMSXOC-CYBMUJFWSA-N -1 3 353.382 2.409 20 10 FECDHM CN(C)c1ccc(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736772710 598650332 /nfs/dbraw/zinc/65/03/32/598650332.db2.gz GXANJCKXOPOQQV-UHFFFAOYSA-N -1 3 368.466 2.341 20 10 FECDHM CN(C)c1ccc(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736772710 598650333 /nfs/dbraw/zinc/65/03/33/598650333.db2.gz GXANJCKXOPOQQV-UHFFFAOYSA-N -1 3 368.466 2.341 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737105479 598769128 /nfs/dbraw/zinc/76/91/28/598769128.db2.gz HQXFLVGNVWSTFI-SNVBAGLBSA-N -1 3 354.370 2.464 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737105479 598769129 /nfs/dbraw/zinc/76/91/29/598769129.db2.gz HQXFLVGNVWSTFI-SNVBAGLBSA-N -1 3 354.370 2.464 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737105448 598769331 /nfs/dbraw/zinc/76/93/31/598769331.db2.gz GREGIGZQWXQBBT-JTQLQIEISA-N -1 3 354.370 2.464 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105448 598769334 /nfs/dbraw/zinc/76/93/34/598769334.db2.gz GREGIGZQWXQBBT-JTQLQIEISA-N -1 3 354.370 2.464 20 10 FECDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1O ZINC000820001683 607151022 /nfs/dbraw/zinc/15/10/22/607151022.db2.gz YRFGJMMERMKSEE-UHFFFAOYSA-N -1 3 353.382 2.046 20 10 FECDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824457599 609417848 /nfs/dbraw/zinc/41/78/48/609417848.db2.gz QPVUGKDUIHBUNM-VIFPVBQESA-N -1 3 356.342 2.229 20 10 FECDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824457599 609417851 /nfs/dbraw/zinc/41/78/51/609417851.db2.gz QPVUGKDUIHBUNM-VIFPVBQESA-N -1 3 356.342 2.229 20 10 FECDHM CC(C)(C)OC(=O)N1CC2(C1)CN(Cc1cc(F)ccc1[O-])CCO2 ZINC000816630035 675069654 /nfs/dbraw/zinc/06/96/54/675069654.db2.gz LXFVLSYQLWMEBI-UHFFFAOYSA-N -1 3 352.406 2.353 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000743711856 673770030 /nfs/dbraw/zinc/77/00/30/673770030.db2.gz DCURYDJQLMJJKP-FRRDWIJNSA-N -1 3 352.456 2.462 20 10 FECDHM COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3cnc(C)s3)C2)cc1 ZINC000819886913 675319125 /nfs/dbraw/zinc/31/91/25/675319125.db2.gz FBPRAFFEPIPLRC-ZDUSSCGKSA-N -1 3 367.496 2.265 20 10 FECDHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(Br)cc1[O-] ZINC000824819841 675623171 /nfs/dbraw/zinc/62/31/71/675623171.db2.gz UXBJOMGPELTLIT-NXEZZACHSA-N -1 3 350.278 2.408 20 10 FECDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])[C@H]2CCC[C@H]21 ZINC000826100728 675682109 /nfs/dbraw/zinc/68/21/09/675682109.db2.gz SWWCPVAXHPCGJG-GXTWGEPZSA-N -1 3 360.273 2.306 20 10 FECDHM COC[C@@]1(C(=O)OC)CCCN1Cc1cc(Br)ccc1[O-] ZINC000827489435 675760077 /nfs/dbraw/zinc/76/00/77/675760077.db2.gz QNIFYRZPENHKPO-OAHLLOKOSA-N -1 3 358.232 2.309 20 10 FECDHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000762574361 680754424 /nfs/dbraw/zinc/75/44/24/680754424.db2.gz XXOOYYIRCZBVAD-WCQYABFASA-N -1 3 350.415 2.473 20 10 FECDHM Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c([O-])c1O ZINC000751533346 680185952 /nfs/dbraw/zinc/18/59/52/680185952.db2.gz OEHOCGCKNXWDID-UHFFFAOYSA-N -1 3 364.423 2.217 20 10 FECDHM COCCN(Cc1cc(F)cc(C(C)=O)c1[O-])C[C@H](O)C(F)(F)F ZINC000847026688 681322386 /nfs/dbraw/zinc/32/23/86/681322386.db2.gz MWBCSTJSTBEUQJ-ZDUSSCGKSA-N -1 3 353.312 2.106 20 10 FECDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]N=c3[nH]c4cccnc4s3)cn21 ZINC000857225375 682866488 /nfs/dbraw/zinc/86/64/88/682866488.db2.gz KRKNRVUPDKWHAH-VIFPVBQESA-N -1 3 364.456 2.091 20 10 FECDHM Cc1cc(N(C)C)ccc1C[C@H](C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000867408910 684271887 /nfs/dbraw/zinc/27/18/87/684271887.db2.gz DRUMSSDYMABLJE-NSHDSACASA-N -1 3 355.485 2.133 20 10 FECDHM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)NCc3c([O-])cccc3F)O2)[C@H]1C ZINC000924049041 684395478 /nfs/dbraw/zinc/39/54/78/684395478.db2.gz DEDYZTNJVIBECG-ZVZLLHMNSA-N -1 3 352.406 2.303 20 10 FECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000870370350 684712032 /nfs/dbraw/zinc/71/20/32/684712032.db2.gz MZBRXJFAKZMKGX-VXGBXAGGSA-N -1 3 350.415 2.331 20 10 FECDHM COC(=O)[C@@H](Cc1cncs1)NCc1c([O-])cccc1Br ZINC000877804059 686468159 /nfs/dbraw/zinc/46/81/59/686468159.db2.gz NCXDORNZPZVHQQ-GFCCVEGCSA-N -1 3 371.256 2.485 20 10 FECDHM C[C@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(Cl)c(Cl)cc1[O-] ZINC000883336908 687610200 /nfs/dbraw/zinc/61/02/00/687610200.db2.gz WFJHENMBQXRFRF-QMMMGPOBSA-N -1 3 368.224 2.291 20 10 FECDHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc(Br)ccc1[O-] ZINC000093420070 542931551 /nfs/dbraw/zinc/93/15/51/542931551.db2.gz CXRYMYKROWGJSR-NXEZZACHSA-N -1 3 350.278 2.408 20 10 FECDHM Cc1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000123552757 543768337 /nfs/dbraw/zinc/76/83/37/543768337.db2.gz ZJPQHHDTQVFDKY-ZDUSSCGKSA-N -1 3 350.806 2.131 20 10 FECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnns1 ZINC000134264503 544301337 /nfs/dbraw/zinc/30/13/37/544301337.db2.gz PCJIUWYCOWQRQA-LBPRGKRZSA-N -1 3 352.847 2.292 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC(C2CCC2)C2CCC2)c1 ZINC000804728996 674298967 /nfs/dbraw/zinc/29/89/67/674298967.db2.gz BKQLXGLJBLHQDF-UHFFFAOYSA-N -1 3 352.456 2.462 20 10 FECDHM CCC(CC)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])SC ZINC000266537378 550021393 /nfs/dbraw/zinc/02/13/93/550021393.db2.gz IGDUSMUPPSKGDC-UHFFFAOYSA-N -1 3 360.501 2.415 20 10 FECDHM COc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc(OC)c1[O-] ZINC000269958780 550239167 /nfs/dbraw/zinc/23/91/67/550239167.db2.gz SFDBIMPRRVDSBC-UHFFFAOYSA-N -1 3 372.421 2.176 20 10 FECDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C)c2[O-])[C@H](C(=O)OC)C1 ZINC000272536327 550456719 /nfs/dbraw/zinc/45/67/19/550456719.db2.gz OGAXXDNICMQTON-RISCZKNCSA-N -1 3 355.818 2.281 20 10 FECDHM C[C@@H]([NH2+]C[C@@]([O-])(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273435946 550498649 /nfs/dbraw/zinc/49/86/49/550498649.db2.gz MCDHOUVNAZLWMT-YMTOWFKASA-N -1 3 374.319 2.135 20 10 FECDHM C[C@@H](NC[C@@](O)(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273435946 550498650 /nfs/dbraw/zinc/49/86/50/550498650.db2.gz MCDHOUVNAZLWMT-YMTOWFKASA-N -1 3 374.319 2.135 20 10 FECDHM COc1cc(Cl)cc(CN2CCN(C(=O)c3ccccn3)CC2)c1[O-] ZINC000273798954 550511634 /nfs/dbraw/zinc/51/16/34/550511634.db2.gz WTCAHTUMZYFACM-UHFFFAOYSA-N -1 3 361.829 2.407 20 10 FECDHM C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)c(F)c1[O-] ZINC000276970292 550616878 /nfs/dbraw/zinc/61/68/78/550616878.db2.gz XSDLYSRZZASIQA-NSHDSACASA-N -1 3 371.405 2.287 20 10 FECDHM O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc2c(c1)CCO2 ZINC000277136941 550635946 /nfs/dbraw/zinc/63/59/46/550635946.db2.gz BVIZKHYYANNURG-GFCCVEGCSA-N -1 3 355.316 2.080 20 10 FECDHM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])N(C)C1CC1 ZINC000277654030 550696918 /nfs/dbraw/zinc/69/69/18/550696918.db2.gz YOQMTQOYHADDLL-SNVBAGLBSA-N -1 3 356.264 2.437 20 10 FECDHM COc1c([O-])c(CN[C@H]2CC(=O)N(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278928111 550836899 /nfs/dbraw/zinc/83/68/99/550836899.db2.gz VUKVWDKEHGOTSZ-ZDUSSCGKSA-N -1 3 357.366 2.204 20 10 FECDHM O=S1(=O)CCC[C@@H](CN(Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000283949844 551455835 /nfs/dbraw/zinc/45/58/35/551455835.db2.gz DKVRQZDUVINOMM-DOTOQJQBSA-N -1 3 353.484 2.198 20 10 FECDHM C[C@H]1C[C@H](N2CCOCC2)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289791951 552379189 /nfs/dbraw/zinc/37/91/89/552379189.db2.gz SAVUUWDFMCOWKP-FZMZJTMJSA-N -1 3 355.822 2.249 20 10 FECDHM O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363706155 555168165 /nfs/dbraw/zinc/16/81/65/555168165.db2.gz AEPZZRWNKALUGG-WFASDCNBSA-N -1 3 366.845 2.079 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCN([C@H]3CCCN(C)C3)CC2)c1[O-] ZINC000364231774 555274965 /nfs/dbraw/zinc/27/49/65/555274965.db2.gz QPZQYPQSCSQJPZ-KRWDZBQOSA-N -1 3 365.905 2.460 20 10 FECDHM Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)nn2C)c([O-])c1O ZINC000364701333 555378788 /nfs/dbraw/zinc/37/87/88/555378788.db2.gz CLYQIWXARPVCPJ-UHFFFAOYSA-N -1 3 352.394 2.174 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(C3CCOCC3)C[C@H]2C)c1[O-] ZINC000365835976 555679079 /nfs/dbraw/zinc/67/90/79/555679079.db2.gz HNLDTMXOVLYFEW-CYBMUJFWSA-N -1 3 350.434 2.419 20 10 FECDHM Cc1ccc(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c([O-])c1O ZINC000366631647 555895462 /nfs/dbraw/zinc/89/54/62/555895462.db2.gz ZWPIYXQODJJZLN-BETUJISGSA-N -1 3 362.426 2.345 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)c3ccccn3)CC2)c1[O-] ZINC000370169472 556800379 /nfs/dbraw/zinc/80/03/79/556800379.db2.gz PWQYJRCPFWYKGP-UHFFFAOYSA-N -1 3 371.412 2.477 20 10 FECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1=CCOCC1 ZINC000373534862 557712797 /nfs/dbraw/zinc/71/27/97/557712797.db2.gz DXVDCHIEUATLFY-INIZCTEOSA-N -1 3 350.846 2.473 20 10 FECDHM Cn1cc([C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C(N)=O)cn1 ZINC000375518610 558041901 /nfs/dbraw/zinc/04/19/01/558041901.db2.gz JMVSDJLSMHQTEL-OLZOCXBDSA-N -1 3 369.252 2.133 20 10 FECDHM COCCn1c(C)c(C)c2cc(C(=O)NCCc3c(C)[n-][nH]c3=O)ccc21 ZINC000522262389 562195371 /nfs/dbraw/zinc/19/53/71/562195371.db2.gz YEGHYOYOABZXBT-INIZCTEOSA-N -1 3 370.453 2.146 20 10 FECDHM Cc1ccc(C(=O)N[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c([O-])c1O ZINC000378562669 558584058 /nfs/dbraw/zinc/58/40/58/558584058.db2.gz WNZRJQMELLFQJV-ZDUSSCGKSA-N -1 3 372.425 2.061 20 10 FECDHM Cc1csc2c1CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC2 ZINC000378564322 558584338 /nfs/dbraw/zinc/58/43/38/558584338.db2.gz UTYUAUVZOBLTOZ-UHFFFAOYSA-N -1 3 366.464 2.332 20 10 FECDHM COc1ccc(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737103968 598322333 /nfs/dbraw/zinc/32/23/33/598322333.db2.gz NEYJTWKCYMTQRK-UHFFFAOYSA-N -1 3 359.390 2.328 20 10 FECDHM COc1ccc(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737103968 598322334 /nfs/dbraw/zinc/32/23/34/598322334.db2.gz NEYJTWKCYMTQRK-UHFFFAOYSA-N -1 3 359.390 2.328 20 10 FECDHM COc1ccc(N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000737100255 598386245 /nfs/dbraw/zinc/38/62/45/598386245.db2.gz UVCUZZSMBZWKII-UHFFFAOYSA-N -1 3 371.832 2.250 20 10 FECDHM COc1ccc(N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000737100255 598386246 /nfs/dbraw/zinc/38/62/46/598386246.db2.gz UVCUZZSMBZWKII-UHFFFAOYSA-N -1 3 371.832 2.250 20 10 FECDHM COCCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736988085 598785664 /nfs/dbraw/zinc/78/56/64/598785664.db2.gz MVSMIGMCZKPYAG-UHFFFAOYSA-N -1 3 355.398 2.468 20 10 FECDHM Cc1cc(C(=O)NCC2(C)COC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234917 598794588 /nfs/dbraw/zinc/79/45/88/598794588.db2.gz OXAWEPJOAZDKGO-UHFFFAOYSA-N -1 3 366.425 2.041 20 10 FECDHM NC(=O)[C@H](c1ccccc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000809728680 674507589 /nfs/dbraw/zinc/50/75/89/674507589.db2.gz FJPMBEHYNNMHQU-SFHVURJKSA-N -1 3 359.857 2.390 20 10 FECDHM O=S(=O)(NC[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1)C1CC1 ZINC000809784806 674509883 /nfs/dbraw/zinc/50/98/83/674509883.db2.gz NPVNNUNYAITFDN-GFCCVEGCSA-N -1 3 358.891 2.339 20 10 FECDHM CCCN1CCC[C@H]1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000826922278 603027324 /nfs/dbraw/zinc/02/73/24/603027324.db2.gz WCBOWGQEIILTOE-IRXDYDNUSA-N -1 3 362.474 2.052 20 10 FECDHM O=C([O-])N1CCC[C@@H]1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000834108481 605500625 /nfs/dbraw/zinc/50/06/25/605500625.db2.gz QPIIQEYRRRMUIH-WBVHZDCISA-N -1 3 362.426 2.172 20 10 FECDHM O=C([O-])N1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000831948428 605853929 /nfs/dbraw/zinc/85/39/29/605853929.db2.gz VBWINDYVEXLHEK-CABCVRRESA-N -1 3 353.850 2.352 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC000821589289 606091560 /nfs/dbraw/zinc/09/15/60/606091560.db2.gz GZQNQDZRMFREDW-UHFFFAOYSA-N -1 3 354.389 2.471 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC000821589289 606091565 /nfs/dbraw/zinc/09/15/65/606091565.db2.gz GZQNQDZRMFREDW-UHFFFAOYSA-N -1 3 354.389 2.471 20 10 FECDHM CCc1nnc(NCc2ccc(N(C)C)cc2)c(-c2nnn[n-]2)c1CC ZINC000821541925 606909567 /nfs/dbraw/zinc/90/95/67/606909567.db2.gz DARODFYITVXEFL-UHFFFAOYSA-N -1 3 352.446 2.460 20 10 FECDHM CCc1nnc(NCc2ccc(N(C)C)cc2)c(-c2nn[n-]n2)c1CC ZINC000821541925 606909569 /nfs/dbraw/zinc/90/95/69/606909569.db2.gz DARODFYITVXEFL-UHFFFAOYSA-N -1 3 352.446 2.460 20 10 FECDHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C)c1ccc2c(c1)OCO2 ZINC000826175767 607927422 /nfs/dbraw/zinc/92/74/22/607927422.db2.gz PTHMPHBZEROYNF-UHFFFAOYSA-N -1 3 369.381 2.119 20 10 FECDHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)c1ccc2c(c1)OCO2 ZINC000826175767 607927423 /nfs/dbraw/zinc/92/74/23/607927423.db2.gz PTHMPHBZEROYNF-UHFFFAOYSA-N -1 3 369.381 2.119 20 10 FECDHM O=C(C=Cc1cnc2ccccc2n1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826402838 607954479 /nfs/dbraw/zinc/95/44/79/607954479.db2.gz DCGZCHRLAYBDAN-BQYQJAHWSA-N -1 3 369.388 2.412 20 10 FECDHM O=C(C=Cc1cnc2ccccc2n1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826402838 607954480 /nfs/dbraw/zinc/95/44/80/607954480.db2.gz DCGZCHRLAYBDAN-BQYQJAHWSA-N -1 3 369.388 2.412 20 10 FECDHM Oc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000826511670 608376764 /nfs/dbraw/zinc/37/67/64/608376764.db2.gz ZYFJTCPDOVBKKI-UHFFFAOYSA-N -1 3 354.320 2.433 20 10 FECDHM Oc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000826511670 608376766 /nfs/dbraw/zinc/37/67/66/608376766.db2.gz ZYFJTCPDOVBKKI-UHFFFAOYSA-N -1 3 354.320 2.433 20 10 FECDHM CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3cccnc3)c2)CC1 ZINC000126963688 672030579 /nfs/dbraw/zinc/03/05/79/672030579.db2.gz QWEMMAIMGAIZOK-UHFFFAOYSA-N -1 3 360.483 2.413 20 10 FECDHM Cc1cc([O-])c(CN2CCCN(S(=O)(=O)C3CC3)CC2)cc1Cl ZINC000825803940 675669739 /nfs/dbraw/zinc/66/97/39/675669739.db2.gz NLVIHQKYKBUJLB-UHFFFAOYSA-N -1 3 358.891 2.354 20 10 FECDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])[C@@H]2CCC[C@@H]21 ZINC000826100733 675682069 /nfs/dbraw/zinc/68/20/69/675682069.db2.gz SWWCPVAXHPCGJG-OCCSQVGLSA-N -1 3 360.273 2.306 20 10 FECDHM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000751316839 680167448 /nfs/dbraw/zinc/16/74/48/680167448.db2.gz CGCVMBTWHPDEJC-VIFPVBQESA-N -1 3 370.358 2.488 20 10 FECDHM CC1(CC(F)(F)F)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000837186410 680565191 /nfs/dbraw/zinc/56/51/91/680565191.db2.gz OPIDCONAACVMSB-UHFFFAOYSA-N -1 3 366.361 2.178 20 10 FECDHM [O-]c1c(Br)cccc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000769330127 680978421 /nfs/dbraw/zinc/97/84/21/680978421.db2.gz WLQJLWTZJILCJV-GJZGRUSLSA-N -1 3 355.276 2.186 20 10 FECDHM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1C ZINC000771059387 681039802 /nfs/dbraw/zinc/03/98/02/681039802.db2.gz PXFTXHQXODLJFR-OAHLLOKOSA-N -1 3 362.861 2.482 20 10 FECDHM CCc1cnccc1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000773772489 681154854 /nfs/dbraw/zinc/15/48/54/681154854.db2.gz NYEJJXROTDQNFY-NSHDSACASA-N -1 3 363.439 2.212 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)NC(C)(C)C)CC2)c1[O-] ZINC000775722038 681327949 /nfs/dbraw/zinc/32/79/49/681327949.db2.gz UXTAZDJVZHDDSS-UHFFFAOYSA-N -1 3 351.422 2.360 20 10 FECDHM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000848323738 681514744 /nfs/dbraw/zinc/51/47/44/681514744.db2.gz FBFIQOGGPSJYCQ-JTQLQIEISA-N -1 3 364.320 2.283 20 10 FECDHM CCN(CC(=O)Nc1cnccn1)Cc1cc(Br)ccc1[O-] ZINC000851792156 682137017 /nfs/dbraw/zinc/13/70/17/682137017.db2.gz IKNPECCSQQRXHB-UHFFFAOYSA-N -1 3 365.231 2.405 20 10 FECDHM CS(=O)(=O)N1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000798189140 683319562 /nfs/dbraw/zinc/31/95/62/683319562.db2.gz HNHBHYWWJYVHCL-UHFFFAOYSA-N -1 3 360.435 2.369 20 10 FECDHM C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(F)cc1[O-] ZINC000799725861 683487832 /nfs/dbraw/zinc/48/78/32/683487832.db2.gz KFEISADKWAFIIL-JTQLQIEISA-N -1 3 374.384 2.439 20 10 FECDHM CCOC(Cn1cc(C(=O)NCc2c([O-])cccc2F)cn1)OCC ZINC000928705709 683491189 /nfs/dbraw/zinc/49/11/89/683491189.db2.gz LIPARIZXRTZMKB-UHFFFAOYSA-N -1 3 351.378 2.057 20 10 FECDHM COC(=O)N1CCC([C@H](C)NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000922070632 683651884 /nfs/dbraw/zinc/65/18/84/683651884.db2.gz SRCAHUUKLPFNOG-NSHDSACASA-N -1 3 353.394 2.197 20 10 FECDHM COC[C@]1(C(=O)OC(C)(C)C)CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000877696208 686440188 /nfs/dbraw/zinc/44/01/88/686440188.db2.gz ZXBLMKRNUPOLBW-SFHVURJKSA-N -1 3 355.406 2.090 20 10 FECDHM O=S1(=O)C[C@H]2CCN(Cc3ccc(Br)cc3[O-])C[C@H]2C1 ZINC000877791485 686462160 /nfs/dbraw/zinc/46/21/60/686462160.db2.gz QNBZLYTXDJNLMY-NEPJUHHUSA-N -1 3 360.273 2.021 20 10 FECDHM Cn1nccc1[C@H](CO)NCc1cc(Cl)cc(Br)c1[O-] ZINC000883144370 687576489 /nfs/dbraw/zinc/57/64/89/687576489.db2.gz MOYMXXSTBMMXLW-NSHDSACASA-N -1 3 360.639 2.365 20 10 FECDHM C[C@]12CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000887875978 688510596 /nfs/dbraw/zinc/51/05/96/688510596.db2.gz YCGKLLPTLLJWHY-ZQUVKOLYSA-N -1 3 362.451 2.048 20 10 FECDHM Cn1nccc1[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000897559418 690039369 /nfs/dbraw/zinc/03/93/69/690039369.db2.gz VYLOOLQNSOSTHZ-OAHLLOKOSA-N -1 3 352.232 2.462 20 10 FECDHM COC(=O)c1cc(C2CN(Cc3ccc(Br)cc3[O-])C2)[nH]n1 ZINC000898002173 690113960 /nfs/dbraw/zinc/11/39/60/690113960.db2.gz OPWZVKUFIYQAGT-UHFFFAOYSA-N -1 3 366.215 2.264 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)n1cncn1 ZINC000075416635 542178825 /nfs/dbraw/zinc/17/88/25/542178825.db2.gz KEFDLABVGTZDKF-JTQLQIEISA-N -1 3 353.220 2.356 20 10 FECDHM Cc1c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cnn1C ZINC000134264343 544301303 /nfs/dbraw/zinc/30/13/03/544301303.db2.gz IKEABNDOEKTZSZ-HNNXBMFYSA-N -1 3 362.861 2.482 20 10 FECDHM Cn1ncc2c1nc(NCc1cc(Br)ccc1[O-])[nH]c2=O ZINC000804826712 674302776 /nfs/dbraw/zinc/30/27/76/674302776.db2.gz DVTAVCRCWOTKAZ-UHFFFAOYSA-N -1 3 350.176 2.149 20 10 FECDHM Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c([O-])c1O ZINC000177672685 546663752 /nfs/dbraw/zinc/66/37/52/546663752.db2.gz MHRSAGLYASYEEY-UHFFFAOYSA-N -1 3 357.366 2.277 20 10 FECDHM O=C1NC[C@H]2CN(Cc3ccc(OCc4ccccc4)cc3[O-])CCN12 ZINC000183121315 547605444 /nfs/dbraw/zinc/60/54/44/547605444.db2.gz OLIPKARJWQXEAO-KRWDZBQOSA-N -1 3 353.422 2.181 20 10 FECDHM CCOC(=O)c1nn(C)cc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000186157979 548092521 /nfs/dbraw/zinc/09/25/21/548092521.db2.gz GTRNJJHIJKFHMI-QGZVFWFLSA-N -1 3 373.453 2.484 20 10 FECDHM O=C(Cc1cccc(F)c1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193127322 548380259 /nfs/dbraw/zinc/38/02/59/548380259.db2.gz SYNPURIWTJNYBS-UHFFFAOYSA-N -1 3 372.396 2.154 20 10 FECDHM CCCOc1ccc(CN(CCCOC)[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000271040487 550334213 /nfs/dbraw/zinc/33/42/13/550334213.db2.gz NTSSZQGUTSEISN-MRXNPFEDSA-N -1 3 371.499 2.207 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000271428231 550374898 /nfs/dbraw/zinc/37/48/98/550374898.db2.gz SLEQCIFFSBPPHN-DZGCQCFKSA-N -1 3 370.496 2.264 20 10 FECDHM Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000272735066 550467817 /nfs/dbraw/zinc/46/78/17/550467817.db2.gz KQEATPGFBPUIPH-LBPRGKRZSA-N -1 3 350.415 2.488 20 10 FECDHM COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273510201 550501022 /nfs/dbraw/zinc/50/10/22/550501022.db2.gz RMJKADCQHYNIBF-WFASDCNBSA-N -1 3 353.419 2.128 20 10 FECDHM COc1cc(Cl)cc(CN2CCN(c3ncc(F)cn3)CC2)c1[O-] ZINC000273610839 550505140 /nfs/dbraw/zinc/50/51/40/550505140.db2.gz ADEWARHSBDRPFC-UHFFFAOYSA-N -1 3 352.797 2.306 20 10 FECDHM O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1cccc(O)c1[O-] ZINC000274993679 550570073 /nfs/dbraw/zinc/57/00/73/550570073.db2.gz SGGHLFPHGCGPCL-UHFFFAOYSA-N -1 3 371.389 2.305 20 10 FECDHM CC(C)OC(=O)[C@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277143475 550636593 /nfs/dbraw/zinc/63/65/93/550636593.db2.gz CECIVTPPHWPBGD-LLVKDONJSA-N -1 3 368.817 2.398 20 10 FECDHM COc1c([O-])c(CN2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143710 550754157 /nfs/dbraw/zinc/75/41/57/550754157.db2.gz BJEYLRAKHNKVCF-GWCFXTLKSA-N -1 3 350.293 2.197 20 10 FECDHM CN(C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1)C(=O)OC(C)(C)C ZINC000280680013 551020642 /nfs/dbraw/zinc/02/06/42/551020642.db2.gz QFEWBKNUGVDGIQ-GFCCVEGCSA-N -1 3 350.415 2.427 20 10 FECDHM COc1c([O-])c(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273723 552293382 /nfs/dbraw/zinc/29/33/82/552293382.db2.gz GNKWEHWKYXXUKY-QWRGUYRKSA-N -1 3 364.320 2.302 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc2n(n1)CCO2 ZINC000290270262 552451709 /nfs/dbraw/zinc/45/17/09/552451709.db2.gz DWYQRNXQPKVSMY-UHFFFAOYSA-N -1 3 366.215 2.406 20 10 FECDHM CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000296249376 553129257 /nfs/dbraw/zinc/12/92/57/553129257.db2.gz CWFKIZRYWZPQGB-MCFWBGNESA-N -1 3 357.447 2.369 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N(C)CC1CC1 ZINC000297769727 553336546 /nfs/dbraw/zinc/33/65/46/553336546.db2.gz IKBUTTRHWBNFCX-UHFFFAOYSA-N -1 3 369.259 2.372 20 10 FECDHM COc1cc(Cl)cc(CN2CCn3c(nnc3-c3cnn(C)c3)C2)c1[O-] ZINC000360345124 554871644 /nfs/dbraw/zinc/87/16/44/554871644.db2.gz PGYZIEPQYKDZEZ-UHFFFAOYSA-N -1 3 374.832 2.062 20 10 FECDHM COc1c([O-])c(CNCc2cccnc2-n2ccnc2)ccc1[N+](=O)[O-] ZINC000364617606 555353876 /nfs/dbraw/zinc/35/38/76/555353876.db2.gz LQMIVIXNVPHASB-UHFFFAOYSA-N -1 3 355.354 2.180 20 10 FECDHM COc1c([O-])c(CN[C@H](c2nc[nH]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000365157888 555497744 /nfs/dbraw/zinc/49/77/44/555497744.db2.gz ZHXINIXEHDZAGS-AWEZNQCLSA-N -1 3 355.354 2.306 20 10 FECDHM COc1c([O-])c(CN[C@H](c2nnc[nH]2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000365157888 555497746 /nfs/dbraw/zinc/49/77/46/555497746.db2.gz ZHXINIXEHDZAGS-AWEZNQCLSA-N -1 3 355.354 2.306 20 10 FECDHM Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)c([O-])c1O ZINC000367274430 556005436 /nfs/dbraw/zinc/00/54/36/556005436.db2.gz MKCWJTRNCFSVIU-ZDUSSCGKSA-N -1 3 358.394 2.281 20 10 FECDHM COc1cc(Br)cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1[O-] ZINC000368972678 556464150 /nfs/dbraw/zinc/46/41/50/556464150.db2.gz HHFNGFVFLXDFEA-DUFXMDAXSA-N -1 3 369.259 2.249 20 10 FECDHM COc1cc(Br)cc(CN2CC[S@@](=O)C[C@H](C)C2)c1[O-] ZINC000369350177 556576332 /nfs/dbraw/zinc/57/63/32/556576332.db2.gz RMRHOINJPWTEOO-CFMSYZGJSA-N -1 3 362.289 2.364 20 10 FECDHM COc1cc(Br)cc(CN2CC[S@@](=O)C[C@@H](C)C2)c1[O-] ZINC000369350180 556576593 /nfs/dbraw/zinc/57/65/93/556576593.db2.gz RMRHOINJPWTEOO-WVDJIFEKSA-N -1 3 362.289 2.364 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1cn2c(n1)CCCC2 ZINC000371592867 557232756 /nfs/dbraw/zinc/23/27/56/557232756.db2.gz KEJOCCINKFUTBN-UHFFFAOYSA-N -1 3 360.483 2.298 20 10 FECDHM Cc1ccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c([O-])c1O ZINC000371672384 557258836 /nfs/dbraw/zinc/25/88/36/557258836.db2.gz SSWHNVMEJOYQAW-UHFFFAOYSA-N -1 3 350.378 2.362 20 10 FECDHM COC(=O)CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000372058989 557368677 /nfs/dbraw/zinc/36/86/77/557368677.db2.gz XLTGJIYJQCMMIC-OAHLLOKOSA-N -1 3 368.861 2.470 20 10 FECDHM COC(=O)c1cn([C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)nn1 ZINC000373812485 557764985 /nfs/dbraw/zinc/76/49/85/557764985.db2.gz MULRLXNYANEUNM-VIFPVBQESA-N -1 3 354.769 2.010 20 10 FECDHM CC(C)(O)c1cn(C2CN(Cc3cc(Br)ccc3[O-])C2)nn1 ZINC000374838645 557938640 /nfs/dbraw/zinc/93/86/40/557938640.db2.gz LMPWVQPOTFZOTK-UHFFFAOYSA-N -1 3 367.247 2.031 20 10 FECDHM CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000376029301 558116167 /nfs/dbraw/zinc/11/61/67/558116167.db2.gz NRNNTNUGBMVLKQ-KBXCAEBGSA-N -1 3 366.414 2.469 20 10 FECDHM Cc1cc(C(=O)N2CCCOCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234093 598611802 /nfs/dbraw/zinc/61/18/02/598611802.db2.gz KNAJRKUFUNYBLZ-UHFFFAOYSA-N -1 3 366.425 2.137 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737105441 598770913 /nfs/dbraw/zinc/77/09/13/598770913.db2.gz GNMGLKNAKRJXBQ-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105441 598770914 /nfs/dbraw/zinc/77/09/14/598770914.db2.gz GNMGLKNAKRJXBQ-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812899 607431559 /nfs/dbraw/zinc/43/15/59/607431559.db2.gz XBEJFJNDSKJHKS-FLIBITNWSA-N -1 3 357.377 2.486 20 10 FECDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812899 607431561 /nfs/dbraw/zinc/43/15/61/607431561.db2.gz XBEJFJNDSKJHKS-FLIBITNWSA-N -1 3 357.377 2.486 20 10 FECDHM COc1ccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)cc1F ZINC000826208849 607640851 /nfs/dbraw/zinc/64/08/51/607640851.db2.gz CGYSJWDQKDQMCF-UHFFFAOYSA-N -1 3 374.376 2.299 20 10 FECDHM CN(Cc1ccccc1O)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821615761 607146878 /nfs/dbraw/zinc/14/68/78/607146878.db2.gz MGDXKHKPLDFZHC-UHFFFAOYSA-N -1 3 367.409 2.388 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](CS(C)(=O)=O)C2)c1 ZINC000814174443 674824366 /nfs/dbraw/zinc/82/43/66/674824366.db2.gz CORGAKNRCRXGQY-NSHDSACASA-N -1 3 362.289 2.330 20 10 FECDHM CNS(=O)(=O)c1cccc(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816537661 675063629 /nfs/dbraw/zinc/06/36/29/675063629.db2.gz MWMKQIAISKNLET-UHFFFAOYSA-N -1 3 358.822 2.383 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000092218029 670736832 /nfs/dbraw/zinc/73/68/32/670736832.db2.gz IGKVTISHUIIDFM-AWEZNQCLSA-N -1 3 355.822 2.250 20 10 FECDHM CN(Cc1ccccc1O)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000101645560 670769915 /nfs/dbraw/zinc/76/99/15/670769915.db2.gz KCCLWVWWGNVBKZ-UHFFFAOYSA-N -1 3 374.871 2.044 20 10 FECDHM COC(=O)CN(CC(=O)N1CCCC[C@H]1C)Cc1cc(Cl)ccc1[O-] ZINC000174854692 672364000 /nfs/dbraw/zinc/36/40/00/672364000.db2.gz QSRBHTNMMLKTIF-CYBMUJFWSA-N -1 3 368.861 2.422 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2cc(F)ccc2F)c1 ZINC000177426203 672382751 /nfs/dbraw/zinc/38/27/51/672382751.db2.gz UJZAWZGTLKXNQG-UHFFFAOYSA-N -1 3 370.377 2.014 20 10 FECDHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000740704771 673650866 /nfs/dbraw/zinc/65/08/66/673650866.db2.gz ADHSOTYGFKADLO-UHFFFAOYSA-N -1 3 351.380 2.053 20 10 FECDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C(=O)N(C)C ZINC000740705889 673651176 /nfs/dbraw/zinc/65/11/76/673651176.db2.gz ORYSWQXSQXVGTA-UHFFFAOYSA-N -1 3 364.423 2.212 20 10 FECDHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743641931 673766843 /nfs/dbraw/zinc/76/68/43/673766843.db2.gz KUGIXWMENMGGEE-FUHWJXTLSA-N -1 3 360.435 2.224 20 10 FECDHM CCN(Cc1ccc(Br)cc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000824808536 675622723 /nfs/dbraw/zinc/62/27/23/675622723.db2.gz KWKZQJIATMWXHV-JTQLQIEISA-N -1 3 350.278 2.410 20 10 FECDHM CC(C)O[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000768494618 680948450 /nfs/dbraw/zinc/94/84/50/680948450.db2.gz PQCCLBBISSJLOR-HUUCEWRRSA-N -1 3 370.471 2.086 20 10 FECDHM Cc1cc(Br)c([O-])c(CNCc2nnnn2CC2CC2)c1 ZINC000769935293 681001143 /nfs/dbraw/zinc/00/11/43/681001143.db2.gz BSVMUDHPEXBWOD-UHFFFAOYSA-N -1 3 352.236 2.149 20 10 FECDHM COCC(=O)NC1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781897065 681986264 /nfs/dbraw/zinc/98/62/64/681986264.db2.gz CERYSNWTWHLWJE-UHFFFAOYSA-N -1 3 371.275 2.190 20 10 FECDHM CCOC(=O)C1(O)CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781907822 681988207 /nfs/dbraw/zinc/98/82/07/681988207.db2.gz FTKIKKMPMAZDAQ-UHFFFAOYSA-N -1 3 372.259 2.353 20 10 FECDHM O=C(N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1cccc(O)c1[O-] ZINC000790912430 682712396 /nfs/dbraw/zinc/71/23/96/682712396.db2.gz UBNUCSWAZYONLO-VIFPVBQESA-N -1 3 364.760 2.426 20 10 FECDHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000792532954 682818814 /nfs/dbraw/zinc/81/88/14/682818814.db2.gz GBEOIJFZRANWFY-LDYMZIIASA-N -1 3 366.361 2.177 20 10 FECDHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1 ZINC000919818915 683301032 /nfs/dbraw/zinc/30/10/32/683301032.db2.gz WSPQNPBWDRTBBX-ZWNOBZJWSA-N -1 3 364.423 2.410 20 10 FECDHM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1c([O-])cccc1F ZINC000928708990 683491885 /nfs/dbraw/zinc/49/18/85/683491885.db2.gz UTIUUHIENKKEBI-NSHDSACASA-N -1 3 356.394 2.077 20 10 FECDHM COC(=O)N1CCC([C@@H](C)NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000922070630 683651872 /nfs/dbraw/zinc/65/18/72/683651872.db2.gz SRCAHUUKLPFNOG-LLVKDONJSA-N -1 3 353.394 2.197 20 10 FECDHM Cc1cc(N(C)C)ccc1C[C@@H](C)[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867408702 684271911 /nfs/dbraw/zinc/27/19/11/684271911.db2.gz BIPLBMGXRQQKIX-CQSZACIVSA-N -1 3 373.544 2.088 20 10 FECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000924001861 684386005 /nfs/dbraw/zinc/38/60/05/684386005.db2.gz YFTJGUIHUUKGJF-ZDUSSCGKSA-N -1 3 352.406 2.306 20 10 FECDHM CCc1noc(C[C@]2(O)CCCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC000877648407 686429164 /nfs/dbraw/zinc/42/91/64/686429164.db2.gz XPLMCVFPVYQEKL-QGZVFWFLSA-N -1 3 353.369 2.185 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)c1 ZINC000885224069 688036742 /nfs/dbraw/zinc/03/67/42/688036742.db2.gz JRKBNKITSYHTAZ-CZUORRHYSA-N -1 3 364.467 2.414 20 10 FECDHM CC[C@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cccc(Cl)c1[O-] ZINC000903225032 690868763 /nfs/dbraw/zinc/86/87/63/690868763.db2.gz DKLZBJGABBQOHI-LBPRGKRZSA-N -1 3 368.908 2.144 20 10 FECDHM COc1ccc(N2CCN([C@@H](C)C(=O)[N-]c3cc(C)no3)CC2)cc1F ZINC000084866809 542721959 /nfs/dbraw/zinc/72/19/59/542721959.db2.gz RGNXGMLWNQHJGK-ZDUSSCGKSA-N -1 3 362.405 2.280 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN(CCO)CCOCC(F)(F)F)c1[O-] ZINC000093319964 542926399 /nfs/dbraw/zinc/92/63/99/542926399.db2.gz VTQSVAPRLHBMLP-UHFFFAOYSA-N -1 3 372.727 2.327 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)CS(C)(=O)=O ZINC000093389944 542930536 /nfs/dbraw/zinc/93/05/36/542930536.db2.gz FFPMGRSCZFWAAN-SNVBAGLBSA-N -1 3 350.278 2.410 20 10 FECDHM COC(=O)CN(Cc1nc(C2CC2)no1)Cc1cc(Cl)ccc1[O-] ZINC000109779672 543338614 /nfs/dbraw/zinc/33/86/14/543338614.db2.gz VKYFSVCBAIEXMO-UHFFFAOYSA-N -1 3 351.790 2.481 20 10 FECDHM CN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)Cc1ccccc1[O-] ZINC000111235027 543388656 /nfs/dbraw/zinc/38/86/56/543388656.db2.gz RIGMWBNCNFJJHK-UHFFFAOYSA-N -1 3 367.449 2.267 20 10 FECDHM CCOC(=O)c1c[n-]n(C2CCN(Cc3cccc(OC)c3O)CC2)c1=N ZINC000128259844 544042297 /nfs/dbraw/zinc/04/22/97/544042297.db2.gz PHJQQYSILGXWHY-UHFFFAOYSA-N -1 3 374.441 2.024 20 10 FECDHM CCOC(=O)c1c[n-]n(C2CC[NH+](Cc3cccc(OC)c3[O-])CC2)c1=N ZINC000128259844 544042300 /nfs/dbraw/zinc/04/23/00/544042300.db2.gz PHJQQYSILGXWHY-UHFFFAOYSA-N -1 3 374.441 2.024 20 10 FECDHM COC(=O)[C@H]1C[C@@H](OC)CN1Cc1cc(Br)cc(C)c1[O-] ZINC000180234050 547071113 /nfs/dbraw/zinc/07/11/13/547071113.db2.gz IMGUIDQAZFDJDM-CHWSQXEVSA-N -1 3 358.232 2.225 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H](N3CCN(C)CC3)C2)c1[O-] ZINC000182894694 547567945 /nfs/dbraw/zinc/56/79/45/547567945.db2.gz PGMNWRRVHLAALR-GOSISDBHSA-N -1 3 363.477 2.336 20 10 FECDHM C[C@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(F)cc1[O-] ZINC000185339729 547973199 /nfs/dbraw/zinc/97/31/99/547973199.db2.gz YNTNVILJAGVJAP-ZDUSSCGKSA-N -1 3 372.444 2.479 20 10 FECDHM Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2C)c([O-])c1O ZINC000185800764 548037754 /nfs/dbraw/zinc/03/77/54/548037754.db2.gz MUIFHZFBTKXKHK-OAHLLOKOSA-N -1 3 358.369 2.167 20 10 FECDHM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000270739338 550302517 /nfs/dbraw/zinc/30/25/17/550302517.db2.gz BZUPCZRRFJAMDT-ABAIWWIYSA-N -1 3 370.471 2.087 20 10 FECDHM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000274801749 550555753 /nfs/dbraw/zinc/55/57/53/550555753.db2.gz AYXKNQZMQBKUMS-ZBFHGGJFSA-N -1 3 370.471 2.087 20 10 FECDHM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)nc1 ZINC000274877427 550561913 /nfs/dbraw/zinc/56/19/13/550561913.db2.gz HEXDGYIFRCRQGL-CYBMUJFWSA-N -1 3 355.394 2.292 20 10 FECDHM O=C(COc1cccc(NC(=O)c2cccc(O)c2[O-])c1)N1CCCC1 ZINC000275001090 550570101 /nfs/dbraw/zinc/57/01/01/550570101.db2.gz OEEVCMOXAWMHKJ-UHFFFAOYSA-N -1 3 356.378 2.351 20 10 FECDHM CCC[C@@]1(COC)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000278142268 550753861 /nfs/dbraw/zinc/75/38/61/550753861.db2.gz WQUJOSGZEQDGHN-KRWDZBQOSA-N -1 3 370.471 2.185 20 10 FECDHM CN1CCN(C(=O)C2CCN(Cc3c([O-])cccc3Cl)CC2)CC1 ZINC000289143774 552272682 /nfs/dbraw/zinc/27/26/82/552272682.db2.gz AMYGHADGNZQXJL-UHFFFAOYSA-N -1 3 351.878 2.032 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1COC[C@@H]1OC ZINC000291458329 552626368 /nfs/dbraw/zinc/62/63/68/552626368.db2.gz LVOWXFICVYQQMO-JSGCOSHPSA-N -1 3 373.247 2.100 20 10 FECDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293581911 552837251 /nfs/dbraw/zinc/83/72/51/552837251.db2.gz HTWHEYALKMMEIR-CQSZACIVSA-N -1 3 367.247 2.076 20 10 FECDHM CCS(=O)(=O)NC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293782970 552856201 /nfs/dbraw/zinc/85/62/01/552856201.db2.gz BXUGEHMQDLIXKP-UHFFFAOYSA-N -1 3 350.843 2.088 20 10 FECDHM CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000296639496 553191577 /nfs/dbraw/zinc/19/15/77/553191577.db2.gz XZCWCXUFQVHMMI-MCFWBGNESA-N -1 3 357.447 2.369 20 10 FECDHM O=C1[C@H](N(Cc2ccccc2[O-])C[C@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473061 555113824 /nfs/dbraw/zinc/11/38/24/555113824.db2.gz XTWLQQCXANBEQQ-RTBURBONSA-N -1 3 374.481 2.153 20 10 FECDHM COc1cc(OC)cc(C2(O)CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000365754796 555660506 /nfs/dbraw/zinc/66/05/06/555660506.db2.gz UTMZAGPCKBIGQN-UHFFFAOYSA-N -1 3 373.405 2.239 20 10 FECDHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)c([O-])c1O ZINC000367893414 556166495 /nfs/dbraw/zinc/16/64/95/556166495.db2.gz MGJSAUSKJVBLGM-NSHDSACASA-N -1 3 361.423 2.354 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCc3nn(C(C)C)c(=O)cc3C2)c1[O-] ZINC000370217094 556813565 /nfs/dbraw/zinc/81/35/65/556813565.db2.gz XRFBBBKXLLQFGZ-UHFFFAOYSA-N -1 3 359.401 2.430 20 10 FECDHM NC(=O)c1cccnc1N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000371416324 557179232 /nfs/dbraw/zinc/17/92/32/557179232.db2.gz GNARKPGLZFWJBV-UHFFFAOYSA-N -1 3 360.845 2.252 20 10 FECDHM COCc1nc([C@@H]2COCCN2Cc2cc(Cl)cc(OC)c2[O-])no1 ZINC000373406269 557687959 /nfs/dbraw/zinc/68/79/59/557687959.db2.gz IKBDNTVIKSLWHP-LBPRGKRZSA-N -1 3 369.805 2.157 20 10 FECDHM COc1cc(Br)cc(CN2CCc3c(ncn3C)C2)c1[O-] ZINC000374424391 557882375 /nfs/dbraw/zinc/88/23/75/557882375.db2.gz ZYFVGEJKMGVKKO-UHFFFAOYSA-N -1 3 352.232 2.455 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000541074645 562602261 /nfs/dbraw/zinc/60/22/61/562602261.db2.gz WARRHEIOVHTIKU-UHFFFAOYSA-N -1 3 366.377 2.067 20 10 FECDHM CO[C@@H](C)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821673642 607320213 /nfs/dbraw/zinc/32/02/13/607320213.db2.gz HTYWEJRKILTGED-LBPRGKRZSA-N -1 3 355.398 2.466 20 10 FECDHM CN(C)c1ccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736772970 598316190 /nfs/dbraw/zinc/31/61/90/598316190.db2.gz IRDQJZZSFAVUHQ-UHFFFAOYSA-N -1 3 369.404 2.071 20 10 FECDHM CN(C)c1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736772970 598316191 /nfs/dbraw/zinc/31/61/91/598316191.db2.gz IRDQJZZSFAVUHQ-UHFFFAOYSA-N -1 3 369.404 2.071 20 10 FECDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCc1ccccc1O ZINC000737833492 598720991 /nfs/dbraw/zinc/72/09/91/598720991.db2.gz UIIQLOJUACIBQA-UHFFFAOYSA-N -1 3 367.409 2.438 20 10 FECDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCc1ccccc1O ZINC000737833492 598720993 /nfs/dbraw/zinc/72/09/93/598720993.db2.gz UIIQLOJUACIBQA-UHFFFAOYSA-N -1 3 367.409 2.438 20 10 FECDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000826250796 607667775 /nfs/dbraw/zinc/66/77/75/607667775.db2.gz SLICEZLFMYKXRE-UHFFFAOYSA-N -1 3 364.409 2.264 20 10 FECDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000826250796 607667778 /nfs/dbraw/zinc/66/77/78/607667778.db2.gz SLICEZLFMYKXRE-UHFFFAOYSA-N -1 3 364.409 2.264 20 10 FECDHM COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000833733901 605128115 /nfs/dbraw/zinc/12/81/15/605128115.db2.gz VDKUJXVBDLWLNU-CHWSQXEVSA-N -1 3 372.421 2.455 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821589176 606092081 /nfs/dbraw/zinc/09/20/81/606092081.db2.gz AKBBTKOLCSJTOC-UHFFFAOYSA-N -1 3 366.425 2.211 20 10 FECDHM COc1ccc(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821828146 606887865 /nfs/dbraw/zinc/88/78/65/606887865.db2.gz RDYICTOCILVWIZ-OAHLLOKOSA-N -1 3 355.398 2.054 20 10 FECDHM COc1ccc(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821828146 606887866 /nfs/dbraw/zinc/88/78/66/606887866.db2.gz RDYICTOCILVWIZ-OAHLLOKOSA-N -1 3 355.398 2.054 20 10 FECDHM CCN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)c(OC)c1 ZINC000821169876 606921406 /nfs/dbraw/zinc/92/14/06/606921406.db2.gz HKRHFMMHRQFNQV-INIZCTEOSA-N -1 3 369.425 2.444 20 10 FECDHM CCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)c(OC)c1 ZINC000821169876 606921407 /nfs/dbraw/zinc/92/14/07/606921407.db2.gz HKRHFMMHRQFNQV-INIZCTEOSA-N -1 3 369.425 2.444 20 10 FECDHM COCC1(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CC1 ZINC000821683711 607073331 /nfs/dbraw/zinc/07/33/31/607073331.db2.gz ISGZDKDCRRBLNQ-UHFFFAOYSA-N -1 3 366.425 2.183 20 10 FECDHM O=C(NC1CC1)N[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825519796 675657429 /nfs/dbraw/zinc/65/74/29/675657429.db2.gz MMVXHGCUWLDLPR-CYBMUJFWSA-N -1 3 354.248 2.191 20 10 FECDHM COC(=O)[C@H]1CSCCN(Cc2cccc(Br)c2[O-])C1 ZINC000840977871 680858458 /nfs/dbraw/zinc/85/84/58/680858458.db2.gz NUEJRWUDGGFNRG-LLVKDONJSA-N -1 3 360.273 2.493 20 10 FECDHM COCCN(CC(=O)[O-])Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840995342 680859167 /nfs/dbraw/zinc/85/91/67/680859167.db2.gz HOBBJZYPWRSEAJ-UHFFFAOYSA-N -1 3 351.403 2.118 20 10 FECDHM CCN(CCS(C)(=O)=O)Cc1cc(C)cc(Br)c1[O-] ZINC000781910469 681987668 /nfs/dbraw/zinc/98/76/68/681987668.db2.gz WFTYAHOMHBGVPG-UHFFFAOYSA-N -1 3 350.278 2.330 20 10 FECDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000773303511 681135158 /nfs/dbraw/zinc/13/51/58/681135158.db2.gz XMRBXDUMSUKIRU-UHFFFAOYSA-N -1 3 368.430 2.167 20 10 FECDHM Cn1nccc1[C@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000846115273 681184703 /nfs/dbraw/zinc/18/47/03/681184703.db2.gz JQPOPGMYRIKUCK-CQSZACIVSA-N -1 3 352.232 2.462 20 10 FECDHM COc1c([O-])c(CNCc2ccc(S(C)(=O)=O)s2)ccc1[N+](=O)[O-] ZINC000775100171 681274942 /nfs/dbraw/zinc/27/49/42/681274942.db2.gz BBAGNIRXAUPMDI-UHFFFAOYSA-N -1 3 372.424 2.064 20 10 FECDHM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1F ZINC000776744816 681432587 /nfs/dbraw/zinc/43/25/87/681432587.db2.gz BAGRAUXZIWFTRS-UHFFFAOYSA-N -1 3 374.415 2.094 20 10 FECDHM COC(=O)CN(Cc1ccc(C(=O)OC)[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000781909036 681987804 /nfs/dbraw/zinc/98/78/04/681987804.db2.gz CIAMARGVFFPYDK-UHFFFAOYSA-N -1 3 366.801 2.336 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cccc3cc[nH]c32)c1 ZINC000787365045 682453493 /nfs/dbraw/zinc/45/34/93/682453493.db2.gz UGVPOADBTYNZDQ-UHFFFAOYSA-N -1 3 359.407 2.175 20 10 FECDHM O=C(NCc1nc2cc(Br)cnc2[nH]1)c1cccc(O)c1[O-] ZINC000790784162 682701796 /nfs/dbraw/zinc/70/17/96/682701796.db2.gz FSERJVIBOXGTNT-UHFFFAOYSA-N -1 3 363.171 2.062 20 10 FECDHM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[O-] ZINC000790904744 682711659 /nfs/dbraw/zinc/71/16/59/682711659.db2.gz YJKDUYDVLNOWSI-RYUDHWBXSA-N -1 3 350.415 2.473 20 10 FECDHM O=S(=O)(Cc1ccccc1)NCCNCc1c([O-])ccc(Cl)c1F ZINC000790954144 682715644 /nfs/dbraw/zinc/71/56/44/682715644.db2.gz MLDRMQMNZCJYBD-UHFFFAOYSA-N -1 3 372.849 2.394 20 10 FECDHM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928710303 683491630 /nfs/dbraw/zinc/49/16/30/683491630.db2.gz JYEACKLKOQULCC-CYBMUJFWSA-N -1 3 356.394 2.077 20 10 FECDHM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1c([O-])cccc1F ZINC000928711153 683492321 /nfs/dbraw/zinc/49/23/21/683492321.db2.gz FSPQSHIMEOLNRY-WBMJQRKESA-N -1 3 351.422 2.368 20 10 FECDHM Cn1ccnc1CN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862241728 683557577 /nfs/dbraw/zinc/55/75/77/683557577.db2.gz YNBSVSPWFQEALL-UHFFFAOYSA-N -1 3 365.275 2.206 20 10 FECDHM CCO[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C12CCOCC2 ZINC000922026932 683640868 /nfs/dbraw/zinc/64/08/68/683640868.db2.gz XUFDHZSLDQRFNK-HOTGVXAUSA-N -1 3 352.406 2.305 20 10 FECDHM C[C@@H](NCc1nnc2c(=O)n(C)ccn12)c1cc(Cl)c(Cl)cc1[O-] ZINC000883336907 687610147 /nfs/dbraw/zinc/61/01/47/687610147.db2.gz WFJHENMBQXRFRF-MRVPVSSYSA-N -1 3 368.224 2.291 20 10 FECDHM O=C(NCC1(OCCO)CCC(C(F)F)CC1)c1cccc(O)c1[O-] ZINC000887560627 688452396 /nfs/dbraw/zinc/45/23/96/688452396.db2.gz ABQLLPABLZBQCG-UHFFFAOYSA-N -1 3 359.369 2.031 20 10 FECDHM CCOC(=O)c1nc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)n[n-]1 ZINC000895240841 689682622 /nfs/dbraw/zinc/68/26/22/689682622.db2.gz GKNRTEYVPMMICG-SECBINFHSA-N -1 3 353.373 2.176 20 10 FECDHM CCOC(=O)c1nnc([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)[n-]1 ZINC000895240841 689682627 /nfs/dbraw/zinc/68/26/27/689682627.db2.gz GKNRTEYVPMMICG-SECBINFHSA-N -1 3 353.373 2.176 20 10 FECDHM CCOC(=O)c1n[n-]c([C@@H](C)NCc2cc(F)c(N(C)C)cc2F)n1 ZINC000895240841 689682631 /nfs/dbraw/zinc/68/26/31/689682631.db2.gz GKNRTEYVPMMICG-SECBINFHSA-N -1 3 353.373 2.176 20 10 FECDHM CCOc1ccc(O)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000091924609 542832384 /nfs/dbraw/zinc/83/23/84/542832384.db2.gz WWGIETMWDVXQAH-UHFFFAOYSA-N -1 3 356.422 2.455 20 10 FECDHM C[C@@H]1CC(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](C)O1 ZINC000802196032 674168116 /nfs/dbraw/zinc/16/81/16/674168116.db2.gz ZBSRRIZTTSDVTF-VXGBXAGGSA-N -1 3 370.471 2.087 20 10 FECDHM CN(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccccc1[O-] ZINC000109773753 543338394 /nfs/dbraw/zinc/33/83/94/543338394.db2.gz BTGMYGFGGMTMPQ-KRWDZBQOSA-N -1 3 353.466 2.467 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000175361628 546309764 /nfs/dbraw/zinc/30/97/64/546309764.db2.gz RXMYJHGJBJQTJF-OAHLLOKOSA-N -1 3 374.462 2.469 20 10 FECDHM COc1ccccc1NC(=O)CN1CCN(Cc2ccccc2[O-])CC1 ZINC000179583104 546981501 /nfs/dbraw/zinc/98/15/01/546981501.db2.gz LUZFIETVEOEAJW-UHFFFAOYSA-N -1 3 355.438 2.157 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000186802833 548196375 /nfs/dbraw/zinc/19/63/75/548196375.db2.gz DRDCJUBPLGWQNW-UHFFFAOYSA-N -1 3 353.378 2.218 20 10 FECDHM Cc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c([O-])c1O ZINC000267557134 550032848 /nfs/dbraw/zinc/03/28/48/550032848.db2.gz FMJAVNJGNQDHHN-UHFFFAOYSA-N -1 3 350.415 2.489 20 10 FECDHM COc1ccc(OC)c(CN(CCO)C(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000267579408 550033037 /nfs/dbraw/zinc/03/30/37/550033037.db2.gz KNMFKPHYLIUDSZ-UHFFFAOYSA-N -1 3 361.394 2.058 20 10 FECDHM Cc1ccc(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c([O-])c1O ZINC000271320347 550364473 /nfs/dbraw/zinc/36/44/73/550364473.db2.gz XBAZNTLLGWVIGM-INIZCTEOSA-N -1 3 369.421 2.108 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)c1[O-] ZINC000275140612 550570613 /nfs/dbraw/zinc/57/06/13/550570613.db2.gz VFNMZUUODIYUAJ-JTQLQIEISA-N -1 3 362.323 2.234 20 10 FECDHM COC(=O)[C@H](NCc1cc2c(cc1[O-])OCO2)c1ccc2c(c1)CCO2 ZINC000275168936 550570887 /nfs/dbraw/zinc/57/08/87/550570887.db2.gz WOBLGDQZJXAAEP-GOSISDBHSA-N -1 3 357.362 2.060 20 10 FECDHM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277403460 550666283 /nfs/dbraw/zinc/66/62/83/550666283.db2.gz JZRMWFXIQDCPGP-QMTHXVAHSA-N -1 3 368.275 2.437 20 10 FECDHM CN(C)c1ccc(CN[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000277419967 550668407 /nfs/dbraw/zinc/66/84/07/550668407.db2.gz SVMZHZAOCHWXTC-CYBMUJFWSA-N -1 3 356.348 2.211 20 10 FECDHM C[C@H]1COCC[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286409673 551884588 /nfs/dbraw/zinc/88/45/88/551884588.db2.gz RQSQEGNJBQKNRU-RYUDHWBXSA-N -1 3 352.818 2.482 20 10 FECDHM C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(Br)ccc1[O-] ZINC000289271974 552293224 /nfs/dbraw/zinc/29/32/24/552293224.db2.gz GKXMTTJKMGAEBU-SWLSCSKDSA-N -1 3 355.276 2.450 20 10 FECDHM O=C([N-][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1)C(F)(F)F ZINC000295080143 552956832 /nfs/dbraw/zinc/95/68/32/552956832.db2.gz RVSHZIKQFWEAFF-ZBFHGGJFSA-N -1 3 372.387 2.440 20 10 FECDHM CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000296249369 553129391 /nfs/dbraw/zinc/12/93/91/553129391.db2.gz CWFKIZRYWZPQGB-FNODVLLQSA-N -1 3 357.447 2.369 20 10 FECDHM COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000364573219 555342386 /nfs/dbraw/zinc/34/23/86/555342386.db2.gz BHDOGFMGAJEBLO-INIZCTEOSA-N -1 3 370.405 2.027 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](CN3CCN(C)CC3)C2)c1[O-] ZINC000367623749 556099944 /nfs/dbraw/zinc/09/99/44/556099944.db2.gz QOIHFGPUKJMBFK-INIZCTEOSA-N -1 3 363.477 2.193 20 10 FECDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368619621 556365294 /nfs/dbraw/zinc/36/52/94/556365294.db2.gz QPYNJMGCDNCRRS-QWHCGFSZSA-N -1 3 374.268 2.361 20 10 FECDHM COC(=O)CCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000372058988 557368700 /nfs/dbraw/zinc/36/87/00/557368700.db2.gz XLTGJIYJQCMMIC-HNNXBMFYSA-N -1 3 368.861 2.470 20 10 FECDHM COc1cc(Br)cc(CN2CCC[C@@]3(CNC(=O)O3)C2)c1[O-] ZINC000372734332 557549955 /nfs/dbraw/zinc/54/99/55/557549955.db2.gz BKBUWYIAFAWRLD-OAHLLOKOSA-N -1 3 371.231 2.238 20 10 FECDHM COc1c([O-])c(CN2CC(C)(C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373604824 557728036 /nfs/dbraw/zinc/72/80/36/557728036.db2.gz SSFAMCXSTYLGMQ-GOSISDBHSA-N -1 3 366.414 2.469 20 10 FECDHM CC1(Cc2ccccc2)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000375449510 558029425 /nfs/dbraw/zinc/02/94/25/558029425.db2.gz WHMSOPIUVZPNDP-UHFFFAOYSA-N -1 3 374.462 2.469 20 10 FECDHM COc1c([O-])c(CN2CCCC[C@H]2C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000375712303 558071338 /nfs/dbraw/zinc/07/13/38/558071338.db2.gz RHUMBKXTEYMJND-HNNXBMFYSA-N -1 3 363.414 2.286 20 10 FECDHM O=C(NCc1cc(Br)ccc1[O-])c1noc2c1COCC2 ZINC000527609475 562297495 /nfs/dbraw/zinc/29/74/95/562297495.db2.gz KGEKVLACVZMBQA-UHFFFAOYSA-N -1 3 353.172 2.145 20 10 FECDHM COCCCN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736981589 598611485 /nfs/dbraw/zinc/61/14/85/598611485.db2.gz NJSHUNVQCJZLCJ-UHFFFAOYSA-N -1 3 368.441 2.383 20 10 FECDHM COc1ccc(C=C2SC(=S)N(C3CC3)C2=O)cc1-c1nnn[n-]1 ZINC000821787569 599311902 /nfs/dbraw/zinc/31/19/02/599311902.db2.gz VITALTLEMXFUJL-KPKJPENVSA-N -1 3 359.436 2.239 20 10 FECDHM COc1ccc(C=C2SC(=S)N(C3CC3)C2=O)cc1-c1nn[n-]n1 ZINC000821787569 599311903 /nfs/dbraw/zinc/31/19/03/599311903.db2.gz VITALTLEMXFUJL-KPKJPENVSA-N -1 3 359.436 2.239 20 10 FECDHM CC1CCN(c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)CC1 ZINC000820726962 606272402 /nfs/dbraw/zinc/27/24/02/606272402.db2.gz DQAIOGXVMKBQDK-UHFFFAOYSA-N -1 3 365.441 2.361 20 10 FECDHM CC1CCN(c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)CC1 ZINC000820726962 606272404 /nfs/dbraw/zinc/27/24/04/606272404.db2.gz DQAIOGXVMKBQDK-UHFFFAOYSA-N -1 3 365.441 2.361 20 10 FECDHM Oc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1O ZINC000823727078 606481743 /nfs/dbraw/zinc/48/17/43/606481743.db2.gz MXGGVTZMEFFEBH-UHFFFAOYSA-N -1 3 366.303 2.346 20 10 FECDHM Oc1ccc(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1O ZINC000823727078 606481745 /nfs/dbraw/zinc/48/17/45/606481745.db2.gz MXGGVTZMEFFEBH-UHFFFAOYSA-N -1 3 366.303 2.346 20 10 FECDHM CO[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000821697652 606581162 /nfs/dbraw/zinc/58/11/62/606581162.db2.gz KMHPCSSTLWMGET-MRXNPFEDSA-N -1 3 366.425 2.135 20 10 FECDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1c(O)ccc2c1CCCC2 ZINC000823099160 606599278 /nfs/dbraw/zinc/59/92/78/606599278.db2.gz YZADSQYCLQRRMZ-UHFFFAOYSA-N -1 3 363.421 2.310 20 10 FECDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1c(O)ccc2c1CCCC2 ZINC000823099160 606599279 /nfs/dbraw/zinc/59/92/79/606599279.db2.gz YZADSQYCLQRRMZ-UHFFFAOYSA-N -1 3 363.421 2.310 20 10 FECDHM COc1ccc(N(C)CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821827494 606881703 /nfs/dbraw/zinc/88/17/03/606881703.db2.gz CTXUCWZZDMRLOK-UHFFFAOYSA-N -1 3 356.361 2.089 20 10 FECDHM COc1ccc(N(C)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821827494 606881705 /nfs/dbraw/zinc/88/17/05/606881705.db2.gz CTXUCWZZDMRLOK-UHFFFAOYSA-N -1 3 356.361 2.089 20 10 FECDHM CCOCCN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825594034 608278470 /nfs/dbraw/zinc/27/84/70/608278470.db2.gz HZHUCXYETSALQF-UHFFFAOYSA-N -1 3 368.441 2.383 20 10 FECDHM Cc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c([O-])c1 ZINC000098109717 670766261 /nfs/dbraw/zinc/76/62/61/670766261.db2.gz JMCHEFAAOXYHJG-UHFFFAOYSA-N -1 3 360.435 2.188 20 10 FECDHM COC(=O)CN(CCC(=O)N1CCCCC1)Cc1cc(Cl)ccc1[O-] ZINC000111238262 670856604 /nfs/dbraw/zinc/85/66/04/670856604.db2.gz SKCQKMRYCJBVSU-UHFFFAOYSA-N -1 3 368.861 2.423 20 10 FECDHM CN(Cc1c([O-])cccc1Br)CC(C)(C)S(C)(=O)=O ZINC000713911919 673070920 /nfs/dbraw/zinc/07/09/20/673070920.db2.gz QIVDRXUOBLTXAS-UHFFFAOYSA-N -1 3 350.278 2.410 20 10 FECDHM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1ccc(Br)cc1[O-] ZINC000825442068 675653301 /nfs/dbraw/zinc/65/33/01/675653301.db2.gz WIRZFCALANJRLB-STQMWFEESA-N -1 3 358.232 2.307 20 10 FECDHM Cn1nccc1[C@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000826142571 675683535 /nfs/dbraw/zinc/68/35/35/675683535.db2.gz FQRSUVMHWVYYCQ-CQSZACIVSA-N -1 3 352.232 2.462 20 10 FECDHM CN(CC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCSC1 ZINC000765728367 680852838 /nfs/dbraw/zinc/85/28/38/680852838.db2.gz IWFVUTMNSWTVIY-NSHDSACASA-N -1 3 359.289 2.208 20 10 FECDHM COC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000874043531 685278329 /nfs/dbraw/zinc/27/83/29/685278329.db2.gz UVMJHYPHGWUDEF-HNNXBMFYSA-N -1 3 358.232 2.386 20 10 FECDHM COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000874043531 685278332 /nfs/dbraw/zinc/27/83/32/685278332.db2.gz UVMJHYPHGWUDEF-HNNXBMFYSA-N -1 3 358.232 2.386 20 10 FECDHM CNC(=O)CCOC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000752094536 680223902 /nfs/dbraw/zinc/22/39/02/680223902.db2.gz MIVSMBWMSCYORO-UHFFFAOYSA-N -1 3 368.861 2.365 20 10 FECDHM O=C(N1CCCC1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000768224861 680941419 /nfs/dbraw/zinc/94/14/19/680941419.db2.gz AUPAMZUXHOEJTD-UHFFFAOYSA-N -1 3 368.275 2.488 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]2c2cccc(F)c2)c1 ZINC000769922705 681000696 /nfs/dbraw/zinc/00/06/96/681000696.db2.gz AENYFWYTVYYSML-HNNXBMFYSA-N -1 3 364.398 2.490 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cncnc1OC ZINC000843397467 681001196 /nfs/dbraw/zinc/00/11/96/681001196.db2.gz SOXYAJCKXSIGEC-UHFFFAOYSA-N -1 3 351.790 2.019 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844307068 681049958 /nfs/dbraw/zinc/04/99/58/681049958.db2.gz NMQMWWQQOKHGMJ-AWEZNQCLSA-N -1 3 368.817 2.004 20 10 FECDHM CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774859070 681242540 /nfs/dbraw/zinc/24/25/40/681242540.db2.gz SCOREKRHKYYUGU-AWEZNQCLSA-N -1 3 351.403 2.142 20 10 FECDHM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1[N+](=O)[O-] ZINC000777647846 681517332 /nfs/dbraw/zinc/51/73/32/681517332.db2.gz DSGDZAYMIJLLTM-UHFFFAOYSA-N -1 3 360.294 2.388 20 10 FECDHM CC(=O)c1cc(F)cc(CN[C@@]2(C(=O)OC(C)(C)C)CCOC2)c1[O-] ZINC000852492352 682289656 /nfs/dbraw/zinc/28/96/56/682289656.db2.gz PCOQUBSMYYYIEC-SFHVURJKSA-N -1 3 353.390 2.324 20 10 FECDHM COCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CC[C@H](C)C1 ZINC000791775700 682765511 /nfs/dbraw/zinc/76/55/11/682765511.db2.gz MENIXABLLWRCKX-GXTWGEPZSA-N -1 3 370.471 2.041 20 10 FECDHM COC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC(C)CC1 ZINC000794023397 682928278 /nfs/dbraw/zinc/92/82/78/682928278.db2.gz FKHVVWPPWVDCQI-UHFFFAOYSA-N -1 3 370.471 2.089 20 10 FECDHM Cc1cccc([O-])c1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000858748589 682997937 /nfs/dbraw/zinc/99/79/37/682997937.db2.gz UGWLPALEAXGKGQ-UHFFFAOYSA-N -1 3 360.435 2.188 20 10 FECDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)C1(F)F ZINC000862437447 683591691 /nfs/dbraw/zinc/59/16/91/683591691.db2.gz FTUHAFXAQLEYTK-UWVGGRQHSA-N -1 3 362.398 2.127 20 10 FECDHM CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000884795371 687935981 /nfs/dbraw/zinc/93/59/81/687935981.db2.gz YWTUGUGQKYZZPL-LBPRGKRZSA-N -1 3 350.415 2.475 20 10 FECDHM COCCc1noc(CN(C)Cc2ccc(Br)cc2[O-])n1 ZINC000824850338 675625490 /nfs/dbraw/zinc/62/54/90/675625490.db2.gz LUMNDAPABJAASD-UHFFFAOYSA-N -1 3 356.220 2.359 20 10 FECDHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(Br)ccc1[O-] ZINC000093420071 542931506 /nfs/dbraw/zinc/93/15/06/542931506.db2.gz CXRYMYKROWGJSR-UWVGGRQHSA-N -1 3 350.278 2.408 20 10 FECDHM CC(C)N(CCS(C)(=O)=O)Cc1cc(Br)ccc1[O-] ZINC000093707572 542939479 /nfs/dbraw/zinc/93/94/79/542939479.db2.gz OGQMZBVZJPHZCG-UHFFFAOYSA-N -1 3 350.278 2.410 20 10 FECDHM Cc1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000123552561 543768254 /nfs/dbraw/zinc/76/82/54/543768254.db2.gz ZJPQHHDTQVFDKY-CYBMUJFWSA-N -1 3 350.806 2.131 20 10 FECDHM Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n(C)n1 ZINC000134261754 544300688 /nfs/dbraw/zinc/30/06/88/544300688.db2.gz RJTAOMHZLXCBKF-HNNXBMFYSA-N -1 3 362.861 2.482 20 10 FECDHM O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000804202184 674275939 /nfs/dbraw/zinc/27/59/39/674275939.db2.gz MBWLCHWBAXPEQR-JTQLQIEISA-N -1 3 360.332 2.019 20 10 FECDHM Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(F)cc2C)c([O-])c1O ZINC000185800744 548037452 /nfs/dbraw/zinc/03/74/52/548037452.db2.gz MUIFHZFBTKXKHK-HNNXBMFYSA-N -1 3 358.369 2.167 20 10 FECDHM COc1ccc(F)cc1CN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000188078129 548270826 /nfs/dbraw/zinc/27/08/26/548270826.db2.gz QTSDXKOTUCFZDQ-UHFFFAOYSA-N -1 3 360.385 2.204 20 10 FECDHM COC(=O)c1cn(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)nn1 ZINC000191493644 548346985 /nfs/dbraw/zinc/34/69/85/548346985.db2.gz GYXFHILOSGCHER-UHFFFAOYSA-N -1 3 368.796 2.400 20 10 FECDHM COC(=O)CN(CC(=O)Nc1nccs1)Cc1cc(Cl)ccc1[O-] ZINC000264618766 549999085 /nfs/dbraw/zinc/99/90/85/549999085.db2.gz QFWZERUOAPYSMB-UHFFFAOYSA-N -1 3 369.830 2.116 20 10 FECDHM CN(C(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)c1nccs1 ZINC000264632470 549999096 /nfs/dbraw/zinc/99/90/96/549999096.db2.gz VMRLNCUBBXDYAD-HNNXBMFYSA-N -1 3 361.467 2.493 20 10 FECDHM CN(C(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1)c1nccs1 ZINC000264632473 549999106 /nfs/dbraw/zinc/99/91/06/549999106.db2.gz VMRLNCUBBXDYAD-OAHLLOKOSA-N -1 3 361.467 2.493 20 10 FECDHM Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000271227876 550355520 /nfs/dbraw/zinc/35/55/20/550355520.db2.gz ADZPQXVMJJPUMG-GFCCVEGCSA-N -1 3 350.415 2.488 20 10 FECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000273499779 550500669 /nfs/dbraw/zinc/50/06/69/550500669.db2.gz PYMYJFRXECVENS-MFKMUULPSA-N -1 3 374.359 2.383 20 10 FECDHM C[C@@H]1CN(c2ccc(CNc3nc4nncc-4c(O)[n-]3)cc2F)C[C@H](C)O1 ZINC000274682988 550549268 /nfs/dbraw/zinc/54/92/68/550549268.db2.gz OHMFKHUWRBZMQM-PHIMTYICSA-N -1 3 372.404 2.423 20 10 FECDHM C[C@@H](CO[C@@H]1CCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277181811 550640734 /nfs/dbraw/zinc/64/07/34/550640734.db2.gz DWJBPPPQTIIDMO-SMDDNHRTSA-N -1 3 368.817 2.004 20 10 FECDHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279806634 550931345 /nfs/dbraw/zinc/93/13/45/550931345.db2.gz KQFRMDYNYXYTGJ-NEPJUHHUSA-N -1 3 350.415 2.473 20 10 FECDHM O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(O)c1[O-] ZINC000280157478 550966228 /nfs/dbraw/zinc/96/62/28/550966228.db2.gz NGMZWBNQNDRXGW-MRXNPFEDSA-N -1 3 356.378 2.145 20 10 FECDHM CS(=O)(=O)C1(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC000285526544 551770057 /nfs/dbraw/zinc/77/00/57/551770057.db2.gz PIYOYRGKXXCAQB-UHFFFAOYSA-N -1 3 362.835 2.401 20 10 FECDHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C[C@@H]2C1 ZINC000292614338 552743238 /nfs/dbraw/zinc/74/32/38/552743238.db2.gz RLOVAZPQDDOTLQ-QWHCGFSZSA-N -1 3 362.426 2.427 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnnn1CC ZINC000293230015 552801506 /nfs/dbraw/zinc/80/15/06/552801506.db2.gz DECYFOUDJIPLQH-UHFFFAOYSA-N -1 3 353.220 2.428 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000366150503 555765651 /nfs/dbraw/zinc/76/56/51/555765651.db2.gz DRWKFOBDRQAOMC-HNNXBMFYSA-N -1 3 358.438 2.353 20 10 FECDHM Cc1ccc(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c([O-])c1O ZINC000367752745 556130607 /nfs/dbraw/zinc/13/06/07/556130607.db2.gz QFLGSOCQNUIDGZ-YPMHNXCESA-N -1 3 359.382 2.317 20 10 FECDHM O=C1[C@H]2CN(Cc3cc(F)ccc3[O-])CCN2C(=O)N1c1ccccc1 ZINC000367818400 556146978 /nfs/dbraw/zinc/14/69/78/556146978.db2.gz HOZGFVAHKWGTIJ-MRXNPFEDSA-N -1 3 355.369 2.184 20 10 FECDHM COCC[C@H]1COCCN1Cc1cc(Br)cc(OC)c1[O-] ZINC000368270263 556264249 /nfs/dbraw/zinc/26/42/49/556264249.db2.gz UUGALMBIASVYOG-ZDUSSCGKSA-N -1 3 360.248 2.401 20 10 FECDHM COCC[C@@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000368493985 556326059 /nfs/dbraw/zinc/32/60/59/556326059.db2.gz WVLMRZOGYOEHGA-ZDUSSCGKSA-N -1 3 370.471 2.043 20 10 FECDHM COc1cc(Br)cc(CN2CC[C@@H]3COC(=O)N[C@H]3C2)c1[O-] ZINC000369720536 556677818 /nfs/dbraw/zinc/67/78/18/556677818.db2.gz IZHFPHSHJZUYFA-SKDRFNHKSA-N -1 3 371.231 2.094 20 10 FECDHM COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3cccc(O)c3[O-])C2)c1 ZINC000370033375 556763031 /nfs/dbraw/zinc/76/30/31/556763031.db2.gz ZNUYWIHBXMHVKG-CYBMUJFWSA-N -1 3 372.421 2.371 20 10 FECDHM NC(=O)c1cccnc1N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000371419631 557180070 /nfs/dbraw/zinc/18/00/70/557180070.db2.gz OBAHZZFCJKQTRB-UHFFFAOYSA-N -1 3 360.845 2.252 20 10 FECDHM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000372283225 557429234 /nfs/dbraw/zinc/42/92/34/557429234.db2.gz RSAVAHKPCDZVPO-HUUCEWRRSA-N -1 3 353.390 2.276 20 10 FECDHM COc1c([O-])c(CN2CCC(OC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000373907994 557784368 /nfs/dbraw/zinc/78/43/68/557784368.db2.gz SJOZHAXGGSBVFR-UHFFFAOYSA-N -1 3 366.414 2.469 20 10 FECDHM COc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000376556286 558190200 /nfs/dbraw/zinc/19/02/00/558190200.db2.gz MCOYRMVDCDKYLT-OAHLLOKOSA-N -1 3 356.378 2.350 20 10 FECDHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3nccs3)CC2)c([O-])c1O ZINC000376615031 558198100 /nfs/dbraw/zinc/19/81/00/558198100.db2.gz LNADAJJQPBDFGB-UHFFFAOYSA-N -1 3 361.423 2.354 20 10 FECDHM Cc1cc(Br)cc(CN2CCOC[C@H]2c2ncon2)c1[O-] ZINC000378536318 558577591 /nfs/dbraw/zinc/57/75/91/558577591.db2.gz BWYZXPXKAPAZQS-LBPRGKRZSA-N -1 3 354.204 2.420 20 10 FECDHM CCOc1ccc(N(C)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736644396 598864594 /nfs/dbraw/zinc/86/45/94/598864594.db2.gz KQHHMCNAXBKCRR-UHFFFAOYSA-N -1 3 352.398 2.340 20 10 FECDHM CCOc1ccc(N(C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736644396 598864595 /nfs/dbraw/zinc/86/45/95/598864595.db2.gz KQHHMCNAXBKCRR-UHFFFAOYSA-N -1 3 352.398 2.340 20 10 FECDHM CCOc1ccc(N(C)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736645439 598864603 /nfs/dbraw/zinc/86/46/03/598864603.db2.gz XYGYATUQIQIYDJ-MRXNPFEDSA-N -1 3 369.425 2.142 20 10 FECDHM Cc1cc(C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233511 598609095 /nfs/dbraw/zinc/60/90/95/598609095.db2.gz FOWONUPNPSBOLC-MRXNPFEDSA-N -1 3 366.425 2.183 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826210499 607461679 /nfs/dbraw/zinc/46/16/79/607461679.db2.gz UHTSJPQFMFBPAP-LLVKDONJSA-N -1 3 353.382 2.380 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826210499 607461681 /nfs/dbraw/zinc/46/16/81/607461681.db2.gz UHTSJPQFMFBPAP-LLVKDONJSA-N -1 3 353.382 2.380 20 10 FECDHM Cc1cc(C(=O)N(C)c2cn[nH]c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167690 606291070 /nfs/dbraw/zinc/29/10/70/606291070.db2.gz GCOIMRFRIQOZRO-UHFFFAOYSA-N -1 3 362.397 2.274 20 10 FECDHM CN1CCCc2cc(CNC(=O)Cc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000821625610 606539595 /nfs/dbraw/zinc/53/95/95/606539595.db2.gz RUWOPTJXLCUHFQ-UHFFFAOYSA-N -1 3 362.437 2.108 20 10 FECDHM CN1CCCc2cc(CNC(=O)Cc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000821625610 606539597 /nfs/dbraw/zinc/53/95/97/606539597.db2.gz RUWOPTJXLCUHFQ-UHFFFAOYSA-N -1 3 362.437 2.108 20 10 FECDHM Cc1cc(C(=O)N[C@H]2CCO[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259312 608206802 /nfs/dbraw/zinc/20/68/02/608206802.db2.gz OFGQVJVTUHZXJW-GUYCJALGSA-N -1 3 366.425 2.181 20 10 FECDHM CC(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823967110 608381752 /nfs/dbraw/zinc/38/17/52/608381752.db2.gz IPZTVZPMDDPVES-NSHDSACASA-N -1 3 366.425 2.372 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2Cc1cccc(-c2nnn[n-]2)c1F ZINC000825878678 608418252 /nfs/dbraw/zinc/41/82/52/608418252.db2.gz APQVUXZPZBCRNJ-UHFFFAOYSA-N -1 3 354.389 2.471 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2Cc1cccc(-c2nn[n-]n2)c1F ZINC000825878678 608418253 /nfs/dbraw/zinc/41/82/53/608418253.db2.gz APQVUXZPZBCRNJ-UHFFFAOYSA-N -1 3 354.389 2.471 20 10 FECDHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000187224880 672564233 /nfs/dbraw/zinc/56/42/33/672564233.db2.gz YFYQCYINCQBJHA-UHFFFAOYSA-N -1 3 354.453 2.421 20 10 FECDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)ccc1OC ZINC000740705879 673650872 /nfs/dbraw/zinc/65/08/72/673650872.db2.gz OFFCYQSSBKKKBR-UHFFFAOYSA-N -1 3 351.380 2.297 20 10 FECDHM Cc1cn(C)nc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839708155 680773547 /nfs/dbraw/zinc/77/35/47/680773547.db2.gz KLGFUXUZWFCFAO-OAHLLOKOSA-N -1 3 362.861 2.482 20 10 FECDHM CNS(=O)(=O)c1cccc(CN[C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756447754 680479490 /nfs/dbraw/zinc/47/94/90/680479490.db2.gz YGVYXFFWWWNVGD-SNVBAGLBSA-N -1 3 356.394 2.429 20 10 FECDHM C[C@H](c1cccc(O)c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769994343 681002449 /nfs/dbraw/zinc/00/24/49/681002449.db2.gz SIQFXLPQIOEAHH-LLVKDONJSA-N -1 3 364.423 2.303 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CC3CCC2CC3)c1 ZINC000843958090 681028492 /nfs/dbraw/zinc/02/84/92/681028492.db2.gz LRKIIALFTDZVFD-WXRRBKDZSA-N -1 3 352.456 2.320 20 10 FECDHM [O-]c1c(Br)cccc1CNCc1cn(Cc2cccnc2)nn1 ZINC000775143775 681276906 /nfs/dbraw/zinc/27/69/06/681276906.db2.gz BPKNHSLUIXUFDK-UHFFFAOYSA-N -1 3 374.242 2.479 20 10 FECDHM O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1cccc(O)c1[O-] ZINC000776647243 681422391 /nfs/dbraw/zinc/42/23/91/681422391.db2.gz DBFIISHVBXSPEV-CYBMUJFWSA-N -1 3 362.382 2.391 20 10 FECDHM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000790619892 682688785 /nfs/dbraw/zinc/68/87/85/682688785.db2.gz SHFWSQTWGQQUBR-GFCCVEGCSA-N -1 3 350.415 2.475 20 10 FECDHM C[C@H](NCc1nnc2n1CCOC2)c1cc(Br)ccc1[O-] ZINC000790740670 682698394 /nfs/dbraw/zinc/69/83/94/682698394.db2.gz ZOWMTHZZCXAIEM-VIFPVBQESA-N -1 3 353.220 2.127 20 10 FECDHM COC(=O)CN(Cc1cncc(OC)n1)Cc1cc(Cl)ccc1[O-] ZINC000859188921 683053942 /nfs/dbraw/zinc/05/39/42/683053942.db2.gz HFXZHOPTNVUFTJ-UHFFFAOYSA-N -1 3 351.790 2.019 20 10 FECDHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1 ZINC000919818913 683300987 /nfs/dbraw/zinc/30/09/87/683300987.db2.gz WSPQNPBWDRTBBX-MFKMUULPSA-N -1 3 364.423 2.410 20 10 FECDHM C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000920040476 683314413 /nfs/dbraw/zinc/31/44/13/683314413.db2.gz SAUJUUWSMYYNRY-NSHDSACASA-N -1 3 366.414 2.436 20 10 FECDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@@H]2CCC[C@@H]21 ZINC000862388080 683582107 /nfs/dbraw/zinc/58/21/07/683582107.db2.gz WTUPPTIBTONISC-OCCSQVGLSA-N -1 3 360.273 2.306 20 10 FECDHM Cn1ccnc1N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862419247 683588891 /nfs/dbraw/zinc/58/88/91/683588891.db2.gz WWFSWBMUZZNHIX-UHFFFAOYSA-N -1 3 351.248 2.210 20 10 FECDHM O=C(NCc1c([O-])cccc1F)NC1CCN(c2nccs2)CC1 ZINC000922337793 683700619 /nfs/dbraw/zinc/70/06/19/683700619.db2.gz JQIDFYWNQCOHQY-UHFFFAOYSA-N -1 3 350.419 2.456 20 10 FECDHM COC(=O)C1=NO[C@]2(CCN(Cc3c([O-])cccc3Br)C2)C1 ZINC000877712812 686442855 /nfs/dbraw/zinc/44/28/55/686442855.db2.gz UNVMCDLBAGTDPP-OAHLLOKOSA-N -1 3 369.215 2.049 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC[C@H]2CCCC2(F)F)c1 ZINC000881581515 687170662 /nfs/dbraw/zinc/17/06/62/687170662.db2.gz FIYYTZXFMPWFDK-SNVBAGLBSA-N -1 3 362.398 2.319 20 10 FECDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C)nc3)c2)CC1 ZINC000800931176 674090967 /nfs/dbraw/zinc/09/09/67/674090967.db2.gz UTWZZXYETQXVLW-UHFFFAOYSA-N -1 3 360.483 2.333 20 10 FECDHM CCOC(=O)[C@H]1CN(Cc2cccc(Br)c2[O-])CC12COC2 ZINC000824489247 675605903 /nfs/dbraw/zinc/60/59/03/675605903.db2.gz IAEMKOBTLBXMSK-GFCCVEGCSA-N -1 3 370.243 2.166 20 10 FECDHM CCCN(CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1ccccc1[O-] ZINC000068973609 541646184 /nfs/dbraw/zinc/64/61/84/541646184.db2.gz PJXDTOLICWTWMD-FQEVSTJZSA-N -1 3 369.465 2.208 20 10 FECDHM CN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1[O-] ZINC000109770414 543338779 /nfs/dbraw/zinc/33/87/79/543338779.db2.gz HFAVQGIGJCUSAU-UHFFFAOYSA-N -1 3 367.449 2.033 20 10 FECDHM COc1ccc(N2CCN(Cc3nc4ccsc4c(=O)[n-]3)CC2)cc1F ZINC000121977840 543702139 /nfs/dbraw/zinc/70/21/39/543702139.db2.gz WOOSWDHEBRPJLR-UHFFFAOYSA-N -1 3 374.441 2.455 20 10 FECDHM CCN(C)S(=O)(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000123907401 543790417 /nfs/dbraw/zinc/79/04/17/543790417.db2.gz LRPLKFQLRKYHIV-UHFFFAOYSA-N -1 3 351.266 2.173 20 10 FECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc[nH]c(=O)c1 ZINC000134260638 544300547 /nfs/dbraw/zinc/30/05/47/544300547.db2.gz LTGWEHJYXBAZPH-OAHLLOKOSA-N -1 3 361.829 2.128 20 10 FECDHM Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n(C)n1 ZINC000134261732 544300665 /nfs/dbraw/zinc/30/06/65/544300665.db2.gz RJTAOMHZLXCBKF-OAHLLOKOSA-N -1 3 362.861 2.482 20 10 FECDHM Cc1ccc(C(=O)NCCCC(=O)N2Cc3ccccc3C2)c([O-])c1O ZINC000179492617 546964577 /nfs/dbraw/zinc/96/45/77/546964577.db2.gz IKMPKXJXQJQBHG-UHFFFAOYSA-N -1 3 354.406 2.459 20 10 FECDHM Cc1cc(Br)cc(CN2CCS(=O)(=O)C(C)(C)C2)c1[O-] ZINC000180510147 547121960 /nfs/dbraw/zinc/12/19/60/547121960.db2.gz UENVOKGKZPAWFJ-UHFFFAOYSA-N -1 3 362.289 2.472 20 10 FECDHM Cc1cc(C(=O)NC2CCN(C(=O)c3cccc(O)c3[O-])CC2)c(C)o1 ZINC000193011625 548377541 /nfs/dbraw/zinc/37/75/41/548377541.db2.gz VHFCKRJJKOCHLR-UHFFFAOYSA-N -1 3 358.394 2.342 20 10 FECDHM CCOC[C@H]1CN(Cc2cc(Br)cc(OC)c2[O-])CCO1 ZINC000529666033 562380523 /nfs/dbraw/zinc/38/05/23/562380523.db2.gz IZCVXGBZMNCDLW-CYBMUJFWSA-N -1 3 360.248 2.401 20 10 FECDHM CS[C@@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000265412335 550009551 /nfs/dbraw/zinc/00/95/51/550009551.db2.gz ZCIZKPBVGUTQBH-ZYHUDNBSSA-N -1 3 358.485 2.168 20 10 FECDHM Cc1cc(Cl)cc(CN2CCN(c3ccc(C(N)=O)cn3)CC2)c1[O-] ZINC000271715994 550397133 /nfs/dbraw/zinc/39/71/33/550397133.db2.gz IJWXALPCKBCQHU-UHFFFAOYSA-N -1 3 360.845 2.170 20 10 FECDHM COC(=O)CCCc1nnc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000272710675 550466262 /nfs/dbraw/zinc/46/62/62/550466262.db2.gz DSNMBIGXXGGAHN-UHFFFAOYSA-N -1 3 351.384 2.006 20 10 FECDHM Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000272735065 550467834 /nfs/dbraw/zinc/46/78/34/550467834.db2.gz KQEATPGFBPUIPH-GFCCVEGCSA-N -1 3 350.415 2.488 20 10 FECDHM COc1ccc(OC)c2c1CN(C(=O)c1ccc(C)c(O)c1[O-])C[C@H]2O ZINC000272750431 550468643 /nfs/dbraw/zinc/46/86/43/550468643.db2.gz JSPWGRBVUXIYHO-CYBMUJFWSA-N -1 3 359.378 2.113 20 10 FECDHM Cc1ccc(C(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c([O-])c1O ZINC000272795202 550471504 /nfs/dbraw/zinc/47/15/04/550471504.db2.gz XPVQNVGDOJZYFO-LLVKDONJSA-N -1 3 372.385 2.092 20 10 FECDHM COC(=O)c1ccc([O-])c([C@H](C)NCCS(=O)(=O)c2ccccc2)c1 ZINC000273442962 550498861 /nfs/dbraw/zinc/49/88/61/550498861.db2.gz ZEAVKCRVILHNCU-ZDUSSCGKSA-N -1 3 363.435 2.303 20 10 FECDHM O=C(NC1CC1)N[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000273795753 550511612 /nfs/dbraw/zinc/51/16/12/550511612.db2.gz WAVVYMAOBIZNOM-CYBMUJFWSA-N -1 3 354.248 2.191 20 10 FECDHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1cccc(OC)c1O ZINC000275979297 550575378 /nfs/dbraw/zinc/57/53/78/550575378.db2.gz DMCWLKDPZPWGPJ-UHFFFAOYSA-N -1 3 371.436 2.036 20 10 FECDHM Cc1cccc2c1CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC2 ZINC000277555208 550683929 /nfs/dbraw/zinc/68/39/29/550683929.db2.gz MOUJRXBXJUNDLK-UHFFFAOYSA-N -1 3 360.435 2.271 20 10 FECDHM CCCC(=O)NC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278184008 550758579 /nfs/dbraw/zinc/75/85/79/550758579.db2.gz HIHMZYMJYZAGDK-CYBMUJFWSA-N -1 3 365.430 2.437 20 10 FECDHM CCCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000278269953 550767385 /nfs/dbraw/zinc/76/73/85/550767385.db2.gz RKQRAEMGJKUMGR-CYBMUJFWSA-N -1 3 372.443 2.098 20 10 FECDHM COc1c([O-])c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000278870703 550831150 /nfs/dbraw/zinc/83/11/50/550831150.db2.gz MVRXYQLCZDQGBT-OAHLLOKOSA-N -1 3 371.393 2.200 20 10 FECDHM COc1c([O-])c(CN[C@@H](C)C(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278935155 550837700 /nfs/dbraw/zinc/83/77/00/550837700.db2.gz WVUKQXLGPUBGJP-LBPRGKRZSA-N -1 3 359.382 2.104 20 10 FECDHM C[C@H]1COCC[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286409672 551884752 /nfs/dbraw/zinc/88/47/52/551884752.db2.gz RQSQEGNJBQKNRU-NWDGAFQWSA-N -1 3 352.818 2.482 20 10 FECDHM Cc1cc(Br)cc(CN2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c1[O-] ZINC000290920906 552562388 /nfs/dbraw/zinc/56/23/88/552562388.db2.gz NVLQFXYOKIUKJU-PHIMTYICSA-N -1 3 362.289 2.471 20 10 FECDHM C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cc(Br)ccc1[O-] ZINC000291528297 552634179 /nfs/dbraw/zinc/63/41/79/552634179.db2.gz JUKLQPBKPQNAKX-IUODEOHRSA-N -1 3 355.276 2.450 20 10 FECDHM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000361065711 554902955 /nfs/dbraw/zinc/90/29/55/554902955.db2.gz IANDFMORQDVDPL-SFHVURJKSA-N -1 3 354.385 2.161 20 10 FECDHM COc1ccccc1[C@@H](NC(=O)c1cccc(O)c1[O-])c1noc(C)n1 ZINC000366170942 555771281 /nfs/dbraw/zinc/77/12/81/555771281.db2.gz LSSDYARTZZGOIQ-OAHLLOKOSA-N -1 3 355.350 2.317 20 10 FECDHM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000371674496 557259531 /nfs/dbraw/zinc/25/95/31/557259531.db2.gz GUJZEHQBUGYBFQ-LBPRGKRZSA-N -1 3 358.398 2.108 20 10 FECDHM CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000372396045 557460123 /nfs/dbraw/zinc/46/01/23/557460123.db2.gz GRDPVPPBXJUZJB-WCQYABFASA-N -1 3 359.382 2.269 20 10 FECDHM COc1c([O-])c(CN2CCC[C@H](N3CCCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000373910488 557785236 /nfs/dbraw/zinc/78/52/36/557785236.db2.gz ZQWQVKDPGMCCPA-AWEZNQCLSA-N -1 3 363.414 2.286 20 10 FECDHM CNC(=O)NC[C@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000529645205 562379973 /nfs/dbraw/zinc/37/99/73/562379973.db2.gz XWKYARBWKHNYMW-SFHVURJKSA-N -1 3 355.438 2.189 20 10 FECDHM Fc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1N1CCOCC1 ZINC000737643291 598439785 /nfs/dbraw/zinc/43/97/85/598439785.db2.gz FBQGRZJZGTYWDF-RJRFIUFISA-N -1 3 352.373 2.408 20 10 FECDHM Fc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1N1CCOCC1 ZINC000737643291 598439786 /nfs/dbraw/zinc/43/97/86/598439786.db2.gz FBQGRZJZGTYWDF-RJRFIUFISA-N -1 3 352.373 2.408 20 10 FECDHM Cc1cc(C(=O)NCC(C)(C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169038 607361702 /nfs/dbraw/zinc/36/17/02/607361702.db2.gz WXODBAUTYGOEII-UHFFFAOYSA-N -1 3 368.441 2.023 20 10 FECDHM CO[C@@H](C)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736956964 598611480 /nfs/dbraw/zinc/61/14/80/598611480.db2.gz DQALDPPORYTFRI-ZDUSSCGKSA-N -1 3 368.441 2.429 20 10 FECDHM COc1cccc(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1O ZINC000821867605 599682671 /nfs/dbraw/zinc/68/26/71/599682671.db2.gz FUVNLCHAYCGGLC-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM COc1cccc(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000821867605 599682672 /nfs/dbraw/zinc/68/26/72/599682672.db2.gz FUVNLCHAYCGGLC-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825871335 603854437 /nfs/dbraw/zinc/85/44/37/603854437.db2.gz DOWCEWWEEIHILV-VBQJREDUSA-N -1 3 362.474 2.050 20 10 FECDHM COc1ccc(N2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1F ZINC000829425269 603967921 /nfs/dbraw/zinc/96/79/21/603967921.db2.gz ZIQNGGSOTWQDEA-AWEZNQCLSA-N -1 3 351.422 2.346 20 10 FECDHM C[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(N2CCCCC2)cc1 ZINC000825484339 604769850 /nfs/dbraw/zinc/76/98/50/604769850.db2.gz GXHWKZTWYHLRKY-INIZCTEOSA-N -1 3 374.485 2.150 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826210548 608074635 /nfs/dbraw/zinc/07/46/35/608074635.db2.gz VYOJLNXJATXIOC-OFFHKIPUSA-N -1 3 365.393 2.472 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826210548 608074636 /nfs/dbraw/zinc/07/46/36/608074636.db2.gz VYOJLNXJATXIOC-OFFHKIPUSA-N -1 3 365.393 2.472 20 10 FECDHM Cc1cc(C)cc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000077635023 670569645 /nfs/dbraw/zinc/56/96/45/670569645.db2.gz NWLSSIGBYUKZGF-UHFFFAOYSA-N -1 3 362.451 2.353 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CSc3ccccc32)c1 ZINC000735520793 673495835 /nfs/dbraw/zinc/49/58/35/673495835.db2.gz HVWHHRRCUOIFAM-CYBMUJFWSA-N -1 3 364.448 2.341 20 10 FECDHM COc1c([O-])c(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000825124680 675637831 /nfs/dbraw/zinc/63/78/31/675637831.db2.gz WAFBPIBWTWOIIQ-RNCFNFMXSA-N -1 3 350.293 2.054 20 10 FECDHM COCCCn1cc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])n1 ZINC000826686038 675700198 /nfs/dbraw/zinc/70/01/98/675700198.db2.gz IVEUKMPDRKTKRF-UHFFFAOYSA-N -1 3 350.375 2.463 20 10 FECDHM COc1c([O-])c(CN[C@@H](CO)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000827715947 675774640 /nfs/dbraw/zinc/77/46/40/675774640.db2.gz RIBMFDLFBNRMBL-ZDUSSCGKSA-N -1 3 354.309 2.410 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000761229969 680715855 /nfs/dbraw/zinc/71/58/55/680715855.db2.gz WKYWUDVHEFJNPF-ZDUSSCGKSA-N -1 3 368.275 2.499 20 10 FECDHM CCc1cc(CNC(=O)NCc2cccc(Br)c2[O-])n[nH]1 ZINC000764785156 680821132 /nfs/dbraw/zinc/82/11/32/680821132.db2.gz SPSQZZRFPHWLRT-UHFFFAOYSA-N -1 3 353.220 2.440 20 10 FECDHM O=C1N=C(N2CCOCC2)S/C1=C/c1cccc([O-])c1Br ZINC000840715189 680839450 /nfs/dbraw/zinc/83/94/50/680839450.db2.gz PLCMEYIKNWEKSN-DHZHZOJOSA-N -1 3 369.240 2.457 20 10 FECDHM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000751534538 680185763 /nfs/dbraw/zinc/18/57/63/680185763.db2.gz IRPZQXBNUHCLFT-UHFFFAOYSA-N -1 3 350.396 2.420 20 10 FECDHM CC(C)CSCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000756810681 680499569 /nfs/dbraw/zinc/49/95/69/680499569.db2.gz MQLFUVGBWXPPIG-UHFFFAOYSA-N -1 3 360.501 2.273 20 10 FECDHM Cc1ccccc1C1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000843959657 681028668 /nfs/dbraw/zinc/02/86/68/681028668.db2.gz WRDXPYURLTYCOZ-UHFFFAOYSA-N -1 3 360.435 2.491 20 10 FECDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1ccc(N(C)C)cc1 ZINC000773087756 681125020 /nfs/dbraw/zinc/12/50/20/681125020.db2.gz KHICXQKTTCKAPE-SNVBAGLBSA-N -1 3 356.879 2.487 20 10 FECDHM CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCN1CC(F)F ZINC000774904508 681248454 /nfs/dbraw/zinc/24/84/54/681248454.db2.gz SSTHNXLTNNRRPW-LBPRGKRZSA-N -1 3 359.373 2.470 20 10 FECDHM C[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(N(C)C)cc1 ZINC000776238957 681375362 /nfs/dbraw/zinc/37/53/62/681375362.db2.gz NIBOHKDJOULGNC-VIFPVBQESA-N -1 3 356.352 2.450 20 10 FECDHM [O-]c1ccc(Br)cc1C[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000848563238 681579056 /nfs/dbraw/zinc/57/90/56/681579056.db2.gz SKFOPSRJLZSXAU-GFCCVEGCSA-N -1 3 353.220 2.414 20 10 FECDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]N=c3[nH]c4cccnc4s3)cn21 ZINC000857225372 682866467 /nfs/dbraw/zinc/86/64/67/682866467.db2.gz KRKNRVUPDKWHAH-SECBINFHSA-N -1 3 364.456 2.091 20 10 FECDHM O=C(NCc1c([O-])cccc1F)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000928713062 683492710 /nfs/dbraw/zinc/49/27/10/683492710.db2.gz ZRYFXBWBSJSRLR-KOLCDFICSA-N -1 3 351.296 2.132 20 10 FECDHM COC[C@@]1(C(=O)OC)CCCN1Cc1c([O-])cccc1Br ZINC000862419029 683589024 /nfs/dbraw/zinc/58/90/24/683589024.db2.gz NCNNUULRIXGJEH-OAHLLOKOSA-N -1 3 358.232 2.309 20 10 FECDHM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCCCC2)cc1 ZINC000866642117 684128472 /nfs/dbraw/zinc/12/84/72/684128472.db2.gz CODDKLCCZNWLOI-QFIPXVFZSA-N -1 3 359.517 2.129 20 10 FECDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c[nH]c(=O)s2)cc1F ZINC000866755989 684145916 /nfs/dbraw/zinc/14/59/16/684145916.db2.gz UMKXOXUKBIFKDO-UHFFFAOYSA-N -1 3 359.448 2.313 20 10 FECDHM CN(C)c1nccc(CNCc2cc(Br)cc(F)c2[O-])n1 ZINC000883083189 687559391 /nfs/dbraw/zinc/55/93/91/687559391.db2.gz CZEBICVRZIPGOY-UHFFFAOYSA-N -1 3 355.211 2.440 20 10 FECDHM Cn1nccc1[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000897567229 690040863 /nfs/dbraw/zinc/04/08/63/690040863.db2.gz HELNVYVUQUAADL-HNNXBMFYSA-N -1 3 352.232 2.462 20 10 FECDHM CN(CCCc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055256252 540641248 /nfs/dbraw/zinc/64/12/48/540641248.db2.gz VRVXHBPSBMSFTM-UHFFFAOYSA-N -1 3 362.451 2.469 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000056110044 540703870 /nfs/dbraw/zinc/70/38/70/540703870.db2.gz UPDIRZOBCLZLEP-UHFFFAOYSA-N -1 3 368.405 2.280 20 10 FECDHM CCN(CCS(=O)(=O)CC)Cc1cc(Br)ccc1[O-] ZINC000076118443 542235080 /nfs/dbraw/zinc/23/50/80/542235080.db2.gz HZFSZKWMRZRCBO-UHFFFAOYSA-N -1 3 350.278 2.411 20 10 FECDHM C[C@H]([C@H](C)N(C)Cc1cc(Br)ccc1[O-])S(C)(=O)=O ZINC000093420069 542930910 /nfs/dbraw/zinc/93/09/10/542930910.db2.gz CXRYMYKROWGJSR-VHSXEESVSA-N -1 3 350.278 2.408 20 10 FECDHM O=C(CN1CCCN(Cc2cc(Cl)ccc2[O-])CC1)N1CCCC1 ZINC000129296164 544103755 /nfs/dbraw/zinc/10/37/55/544103755.db2.gz OTEHUHYKTKZDJY-UHFFFAOYSA-N -1 3 351.878 2.176 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccsc3C2)c1 ZINC000130245621 544144265 /nfs/dbraw/zinc/14/42/65/544144265.db2.gz MOIQWWXPDLZSKF-UHFFFAOYSA-N -1 3 352.437 2.024 20 10 FECDHM Cc1ccc(C[C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000132147884 544221084 /nfs/dbraw/zinc/22/10/84/544221084.db2.gz GVXWWJGHPCHNDI-SNVBAGLBSA-N -1 3 368.480 2.495 20 10 FECDHM Cn1cc(CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000134269265 544301207 /nfs/dbraw/zinc/30/12/07/544301207.db2.gz SPMVFYOQWFYXRA-INIZCTEOSA-N -1 3 362.861 2.102 20 10 FECDHM C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1cccs1 ZINC000173755827 546286877 /nfs/dbraw/zinc/28/68/77/546286877.db2.gz CTGZBCXRDNJEIA-LLVKDONJSA-N -1 3 368.480 2.434 20 10 FECDHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c([O-])c1O ZINC000181822925 547386614 /nfs/dbraw/zinc/38/66/14/547386614.db2.gz MTVZHHBBRAESIO-UHFFFAOYSA-N -1 3 354.406 2.441 20 10 FECDHM Cc1ccc(C(=O)N2CCC(NC(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000188378692 548277519 /nfs/dbraw/zinc/27/75/19/548277519.db2.gz XFMVDANXXMJKET-UHFFFAOYSA-N -1 3 354.406 2.441 20 10 FECDHM C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)cc1[O-] ZINC000189165815 548297741 /nfs/dbraw/zinc/29/77/41/548297741.db2.gz PEEWEGQWJDCCAS-LBPRGKRZSA-N -1 3 353.415 2.148 20 10 FECDHM CCc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c([O-])c1 ZINC000190303214 548321560 /nfs/dbraw/zinc/32/15/60/548321560.db2.gz CWPZFKBGGFEIJH-UHFFFAOYSA-N -1 3 374.462 2.442 20 10 FECDHM COc1cc(O)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1OC ZINC000271710563 550396707 /nfs/dbraw/zinc/39/67/07/550396707.db2.gz GUMVPMBLPUFZHG-UHFFFAOYSA-N -1 3 372.421 2.073 20 10 FECDHM COc1ccc(OC)c2c1CN(C(=O)c1ccc(C)c(O)c1[O-])C[C@@H]2O ZINC000272750434 550468613 /nfs/dbraw/zinc/46/86/13/550468613.db2.gz JSPWGRBVUXIYHO-ZDUSSCGKSA-N -1 3 359.378 2.113 20 10 FECDHM CC(=O)NCCN(Cc1cc(F)ccc1[O-])[C@H](C)C(=O)OC(C)(C)C ZINC000272844760 550473144 /nfs/dbraw/zinc/47/31/44/550473144.db2.gz IYAYYLMDKWMNIK-GFCCVEGCSA-N -1 3 354.422 2.200 20 10 FECDHM COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)c2cccc([O-])c2)c1 ZINC000273600594 550504922 /nfs/dbraw/zinc/50/49/22/550504922.db2.gz RUDNEBKHVCBGIE-CYBMUJFWSA-N -1 3 372.421 2.355 20 10 FECDHM CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)CC1 ZINC000275609286 550573089 /nfs/dbraw/zinc/57/30/89/550573089.db2.gz QMQPMKDCWNFUKK-UHFFFAOYSA-N -1 3 369.421 2.327 20 10 FECDHM CC(=O)N1CCN(c2cccc(NC(=O)c3c([O-])cccc3O)c2)CC1 ZINC000275955318 550575406 /nfs/dbraw/zinc/57/54/06/550575406.db2.gz ZMOPUQYJWBMIHY-UHFFFAOYSA-N -1 3 355.394 2.019 20 10 FECDHM COc1c([O-])c(CN2CCN(Cc3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000278141843 550753718 /nfs/dbraw/zinc/75/37/18/550753718.db2.gz AYSKACXYMFZURW-UHFFFAOYSA-N -1 3 373.409 2.332 20 10 FECDHM CCOC(=O)CC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278159847 550755644 /nfs/dbraw/zinc/75/56/44/550755644.db2.gz DMVYCSSCNAAGDS-UHFFFAOYSA-N -1 3 352.387 2.474 20 10 FECDHM COc1c([O-])c(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209964 550761132 /nfs/dbraw/zinc/76/11/32/550761132.db2.gz KEGLRJPNAXPUFA-OCCSQVGLSA-N -1 3 372.443 2.097 20 10 FECDHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278382463 550779243 /nfs/dbraw/zinc/77/92/43/550779243.db2.gz LXYPWWXJUVOSGW-QKCSRTOESA-N -1 3 350.371 2.083 20 10 FECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000279413480 550887452 /nfs/dbraw/zinc/88/74/52/550887452.db2.gz XLBXPXYSWMQLRC-YPMHNXCESA-N -1 3 350.415 2.473 20 10 FECDHM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000281614631 551120481 /nfs/dbraw/zinc/12/04/81/551120481.db2.gz FJCBDNPJATYQNS-MRXNPFEDSA-N -1 3 356.378 2.268 20 10 FECDHM O=S(=O)(CCO)c1ccc(CNCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294780416 552933625 /nfs/dbraw/zinc/93/36/25/552933625.db2.gz UJIGOIIVRIFDBH-UHFFFAOYSA-N -1 3 373.833 2.241 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cnn(C)c1Cl ZINC000294994055 552949847 /nfs/dbraw/zinc/94/98/47/552949847.db2.gz QRSDIJYQKVKCGI-UHFFFAOYSA-N -1 3 372.208 2.248 20 10 FECDHM CC(C)c1nc(CNC(=O)NCc2cccc(Br)c2[O-])n[nH]1 ZINC000298110710 553385568 /nfs/dbraw/zinc/38/55/68/553385568.db2.gz MUNXVDAIHGSQIA-UHFFFAOYSA-N -1 3 368.235 2.396 20 10 FECDHM COc1c([O-])c(CN[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000364446322 555315692 /nfs/dbraw/zinc/31/56/92/555315692.db2.gz JVNFICQAXQLWPY-OAHLLOKOSA-N -1 3 371.393 2.200 20 10 FECDHM COc1c([O-])c(CNc2cccc(-n3nnnc3C)c2)ccc1[N+](=O)[O-] ZINC000365496471 555590682 /nfs/dbraw/zinc/59/06/82/555590682.db2.gz UTXRDQLBMGVSDD-UHFFFAOYSA-N -1 3 356.342 2.205 20 10 FECDHM COc1c([O-])c(CN2CCC[C@H]2Cn2nc(C)nc2C)ccc1[N+](=O)[O-] ZINC000365807891 555671894 /nfs/dbraw/zinc/67/18/94/555671894.db2.gz XOIAZFZBECDZGL-AWEZNQCLSA-N -1 3 361.402 2.182 20 10 FECDHM Cc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)c([O-])c1O ZINC000367858920 556157159 /nfs/dbraw/zinc/15/71/59/556157159.db2.gz XRMXFSLQBOQUJM-OAHLLOKOSA-N -1 3 358.438 2.269 20 10 FECDHM C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccsc2S1(=O)=O ZINC000368263733 556262300 /nfs/dbraw/zinc/26/23/00/556262300.db2.gz CITVGRDNNNOQRX-KWQFWETISA-N -1 3 353.421 2.196 20 10 FECDHM Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)no1 ZINC000372548920 557500482 /nfs/dbraw/zinc/50/04/82/557500482.db2.gz WGVKHJVPBVWJBQ-CQSZACIVSA-N -1 3 374.441 2.224 20 10 FECDHM COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c(O)c1 ZINC000373659355 557733181 /nfs/dbraw/zinc/73/31/81/557733181.db2.gz JWXYHDSZJPUSNX-INIZCTEOSA-N -1 3 370.405 2.027 20 10 FECDHM O=S(=O)(C1CCN(Cc2cc(Cl)ccc2[O-])CC1)N1CCCC1 ZINC000374348190 557869461 /nfs/dbraw/zinc/86/94/61/557869461.db2.gz GBXCSMLCIAKIQG-UHFFFAOYSA-N -1 3 358.891 2.436 20 10 FECDHM CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@]2(CCOC2)O1 ZINC000376020569 558115138 /nfs/dbraw/zinc/11/51/38/558115138.db2.gz GREXCEVUSODMMG-SUMWQHHRSA-N -1 3 352.387 2.079 20 10 FECDHM O=C(CNCc1cc([N+](=O)[O-])ccc1[O-])N[C@@H]1CCOc2ccccc21 ZINC000376482235 558178908 /nfs/dbraw/zinc/17/89/08/558178908.db2.gz TXXUOUOOIFRZEX-OAHLLOKOSA-N -1 3 357.366 2.030 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCc2[nH]cnc2C1 ZINC000377988353 558458664 /nfs/dbraw/zinc/45/86/64/558458664.db2.gz PENQVSJDBUWRIE-GFCCVEGCSA-N -1 3 360.801 2.090 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCc2nc[nH]c2C1 ZINC000377988353 558458666 /nfs/dbraw/zinc/45/86/66/558458666.db2.gz PENQVSJDBUWRIE-GFCCVEGCSA-N -1 3 360.801 2.090 20 10 FECDHM Cc1ccc(C(=O)NCc2nnc3n2C[C@H](C(F)(F)F)CC3)c([O-])c1O ZINC000378557049 558582419 /nfs/dbraw/zinc/58/24/19/558582419.db2.gz BQWDOKZUDQQSGF-SECBINFHSA-N -1 3 370.331 2.052 20 10 FECDHM Cc1cc(C(=O)NC[C@H](C)CCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168951 607358554 /nfs/dbraw/zinc/35/85/54/607358554.db2.gz VVXDHVPWUFDTBT-GFCCVEGCSA-N -1 3 368.441 2.023 20 10 FECDHM COc1ccc(O)c(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821837937 599674826 /nfs/dbraw/zinc/67/48/26/599674826.db2.gz IALGHCGSAWXQHD-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM COc1ccc(O)c(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821837937 599674827 /nfs/dbraw/zinc/67/48/27/599674827.db2.gz IALGHCGSAWXQHD-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCOCC2)c(F)c1 ZINC000834094370 606061919 /nfs/dbraw/zinc/06/19/19/606061919.db2.gz DIEQVPBJIAODIT-CVEARBPZSA-N -1 3 363.433 2.379 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822205966 606564799 /nfs/dbraw/zinc/56/47/99/606564799.db2.gz PCKLQMJQUASCHI-UHFFFAOYSA-N -1 3 350.426 2.100 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822205966 606564802 /nfs/dbraw/zinc/56/48/02/606564802.db2.gz PCKLQMJQUASCHI-UHFFFAOYSA-N -1 3 350.426 2.100 20 10 FECDHM O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)C1=CC(=O)CS1 ZINC000823154443 606593840 /nfs/dbraw/zinc/59/38/40/606593840.db2.gz BEMBYRDMGCNDIP-UHFFFAOYSA-N -1 3 370.438 2.033 20 10 FECDHM COc1cc(-c2nnn[n-]2)ccc1CN1CCOc2cc(N(C)C)ccc21 ZINC000826169733 608418336 /nfs/dbraw/zinc/41/83/36/608418336.db2.gz BZTWOSBCCLMGIS-UHFFFAOYSA-N -1 3 366.425 2.340 20 10 FECDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCOc2cc(N(C)C)ccc21 ZINC000826169733 608418338 /nfs/dbraw/zinc/41/83/38/608418338.db2.gz BZTWOSBCCLMGIS-UHFFFAOYSA-N -1 3 366.425 2.340 20 10 FECDHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000023398035 670048652 /nfs/dbraw/zinc/04/86/52/670048652.db2.gz ZIBMNSZYCUDDFJ-UHFFFAOYSA-N -1 3 368.436 2.062 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCc2cccc(F)c2)c1 ZINC000109700375 670843821 /nfs/dbraw/zinc/84/38/21/670843821.db2.gz DLTABGQPNLIHTD-UHFFFAOYSA-N -1 3 366.414 2.265 20 10 FECDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)N(C)C)cc2)cc1 ZINC000111916524 670862542 /nfs/dbraw/zinc/86/25/42/670862542.db2.gz WBCDUYIFIWVXKH-UHFFFAOYSA-N -1 3 369.468 2.014 20 10 FECDHM COCc1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000727352479 673167459 /nfs/dbraw/zinc/16/74/59/673167459.db2.gz GEJHMEDFFPUZHN-UHFFFAOYSA-N -1 3 370.452 2.005 20 10 FECDHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743641933 673766914 /nfs/dbraw/zinc/76/69/14/673766914.db2.gz KUGIXWMENMGGEE-WMZOPIPTSA-N -1 3 360.435 2.224 20 10 FECDHM O=S1(=O)CC[C@H](N(Cc2ccc(Br)cc2[O-])C2CC2)C1 ZINC000824568014 675611051 /nfs/dbraw/zinc/61/10/51/675611051.db2.gz YNCVLVHEUZQEFS-ZDUSSCGKSA-N -1 3 360.273 2.306 20 10 FECDHM [O-]c1cc(Br)ccc1CN1CCN(c2ncc(F)cn2)CC1 ZINC000825514958 675657022 /nfs/dbraw/zinc/65/70/22/675657022.db2.gz VCFHGOMFNWSZDW-UHFFFAOYSA-N -1 3 367.222 2.406 20 10 FECDHM Cn1nccc1[C@@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000826142570 675683665 /nfs/dbraw/zinc/68/36/65/675683665.db2.gz FQRSUVMHWVYYCQ-AWEZNQCLSA-N -1 3 352.232 2.462 20 10 FECDHM CCOC(=O)CS[C@@H](CNC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000828510975 675826024 /nfs/dbraw/zinc/82/60/24/675826024.db2.gz VEJPZRZISHTOJE-JTQLQIEISA-N -1 3 367.345 2.055 20 10 FECDHM COCCCN(Cc1c([O-])cc(C)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000840909221 680852064 /nfs/dbraw/zinc/85/20/64/680852064.db2.gz CQQPNEPUAROEEL-CYBMUJFWSA-N -1 3 361.891 2.380 20 10 FECDHM CNC(=O)CCOC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000770286078 681011898 /nfs/dbraw/zinc/01/18/98/681011898.db2.gz JDPOBKIQGXUEBY-UHFFFAOYSA-N -1 3 371.821 2.071 20 10 FECDHM COc1c([O-])c(CNc2ccc(NS(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000774937464 681253459 /nfs/dbraw/zinc/25/34/59/681253459.db2.gz ZXELOQHPCQRRFL-UHFFFAOYSA-N -1 3 367.383 2.293 20 10 FECDHM C[C@@H](NCc1nnc2n1CCOC2)c1ccc(Br)cc1[O-] ZINC000790740622 682698307 /nfs/dbraw/zinc/69/83/07/682698307.db2.gz ZNITXSFXONBUAK-SECBINFHSA-N -1 3 353.220 2.127 20 10 FECDHM C[C@@H](NCc1nnc2n1CCOC2)c1cc(Br)ccc1[O-] ZINC000790740633 682698445 /nfs/dbraw/zinc/69/84/45/682698445.db2.gz ZOWMTHZZCXAIEM-SECBINFHSA-N -1 3 353.220 2.127 20 10 FECDHM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1cccc(O)c1[O-] ZINC000790916202 682712729 /nfs/dbraw/zinc/71/27/29/682712729.db2.gz HAEHKCRVAYVCNM-LBPRGKRZSA-N -1 3 352.184 2.324 20 10 FECDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCC(F)CC1 ZINC000856080955 682739989 /nfs/dbraw/zinc/73/99/89/682739989.db2.gz SGSXGIQDAZHJOT-UNXYVOJBSA-N -1 3 358.435 2.410 20 10 FECDHM CCn1nccc1CN(CCO)Cc1cc(Br)ccc1[O-] ZINC000793306613 682879276 /nfs/dbraw/zinc/87/92/76/682879276.db2.gz FMZOCVXTEZPSHP-UHFFFAOYSA-N -1 3 354.248 2.366 20 10 FECDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(O)c1 ZINC000795358338 683044669 /nfs/dbraw/zinc/04/46/69/683044669.db2.gz YLFMMZNABAZSAX-UHFFFAOYSA-N -1 3 352.368 2.096 20 10 FECDHM C[C@@H](N[C@@H]1CNOC1)c1cc(Br)cc(Br)c1[O-] ZINC000925861961 683045326 /nfs/dbraw/zinc/04/53/26/683045326.db2.gz JSFAZAIMDCLKOQ-HTRCEHHLSA-N -1 3 366.053 2.471 20 10 FECDHM COc1ccc(C)cc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000919812129 683300398 /nfs/dbraw/zinc/30/03/98/683300398.db2.gz IZNXJIKIIMDIRI-UHFFFAOYSA-N -1 3 364.423 2.011 20 10 FECDHM O=S(=O)(NCc1c([O-])cccc1F)c1ccc2c(c1)OCCCO2 ZINC000921452297 683472994 /nfs/dbraw/zinc/47/29/94/683472994.db2.gz KUZLPATZXSKXTA-UHFFFAOYSA-N -1 3 353.371 2.171 20 10 FECDHM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928710305 683491558 /nfs/dbraw/zinc/49/15/58/683491558.db2.gz JYEACKLKOQULCC-ZDUSSCGKSA-N -1 3 356.394 2.077 20 10 FECDHM CN(C)C(=O)N[C@@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862391932 683583014 /nfs/dbraw/zinc/58/30/14/683583014.db2.gz XICNULGCTCHNHK-LLVKDONJSA-N -1 3 356.264 2.390 20 10 FECDHM COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2c([O-])cccc2F)C1 ZINC000922053141 683647254 /nfs/dbraw/zinc/64/72/54/683647254.db2.gz WUVYRSRUPZAILC-VXGBXAGGSA-N -1 3 353.394 2.197 20 10 FECDHM Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)ccc1O ZINC000863406140 683716935 /nfs/dbraw/zinc/71/69/35/683716935.db2.gz VLEUWWBADSCNED-UHFFFAOYSA-N -1 3 358.419 2.337 20 10 FECDHM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc(N2CCCC2)cc1 ZINC000866485668 684110396 /nfs/dbraw/zinc/11/03/96/684110396.db2.gz VDSCMTXTODBYOP-UHFFFAOYSA-N -1 3 359.517 2.129 20 10 FECDHM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)NCc1c([O-])cccc1F)O2 ZINC000924049040 684395570 /nfs/dbraw/zinc/39/55/70/684395570.db2.gz DEDYZTNJVIBECG-SJBDTSRBSA-N -1 3 352.406 2.303 20 10 FECDHM COc1cc(O)c(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)cc1OC ZINC000872753045 685012932 /nfs/dbraw/zinc/01/29/32/685012932.db2.gz IPFBCEBXTWTUKE-OAHLLOKOSA-N -1 3 362.348 2.052 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H](O)CC3(CCOCC3)C2)c1[O-] ZINC000895721743 689762000 /nfs/dbraw/zinc/76/20/00/689762000.db2.gz ILIBRPDGLOELRC-CYBMUJFWSA-N -1 3 356.806 2.317 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCN(C[C@H]3CCOC3)CC2)c1[O-] ZINC000093817550 542942808 /nfs/dbraw/zinc/94/28/08/542942808.db2.gz JKFITRLHUMGWMA-GFCCVEGCSA-N -1 3 355.822 2.108 20 10 FECDHM CN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1[O-] ZINC000109773091 543338608 /nfs/dbraw/zinc/33/86/08/543338608.db2.gz JLNSDZSKDWBBFD-UHFFFAOYSA-N -1 3 353.422 2.355 20 10 FECDHM CCOCCS(=O)(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000123902984 543790739 /nfs/dbraw/zinc/79/07/39/543790739.db2.gz HOFFJXYDFMXAEG-UHFFFAOYSA-N -1 3 366.277 2.343 20 10 FECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1=COCCO1 ZINC000134265867 544301020 /nfs/dbraw/zinc/30/10/20/544301020.db2.gz IMAYDQSZUROHBH-CQSZACIVSA-N -1 3 352.818 2.014 20 10 FECDHM Cc1nc(C)c(CC(=O)NCc2cc(Br)ccc2O)c(=O)[n-]1 ZINC000804735062 674299229 /nfs/dbraw/zinc/29/92/29/674299229.db2.gz KALRCGWDYGGEJP-UHFFFAOYSA-N -1 3 366.215 2.126 20 10 FECDHM CCN(Cc1cc(Br)cc(C)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179562132 546976408 /nfs/dbraw/zinc/97/64/08/546976408.db2.gz OHNYMDWRNRIKGK-CYBMUJFWSA-N -1 3 362.289 2.472 20 10 FECDHM Cc1ccc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c([O-])c1O ZINC000181963361 547413308 /nfs/dbraw/zinc/41/33/08/547413308.db2.gz WQCXKQZKPJIVQI-UHFFFAOYSA-N -1 3 354.406 2.459 20 10 FECDHM Cc1cc(C(=O)N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c(C)o1 ZINC000182227432 547457300 /nfs/dbraw/zinc/45/73/00/547457300.db2.gz LUDGCKTWBVCHEO-UHFFFAOYSA-N -1 3 358.394 2.214 20 10 FECDHM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc(O)c1[O-] ZINC000188337616 548277900 /nfs/dbraw/zinc/27/79/00/548277900.db2.gz ZQXSTCJXIIAKJJ-INIZCTEOSA-N -1 3 354.406 2.061 20 10 FECDHM COc1cc(NC(=O)CN(C)Cc2ccccc2[O-])cc(OC)c1OC ZINC000264635836 549999145 /nfs/dbraw/zinc/99/91/45/549999145.db2.gz WHEBWGHVAVFPJG-UHFFFAOYSA-N -1 3 360.410 2.489 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)[C@H]1CCOC1 ZINC000269768433 550223817 /nfs/dbraw/zinc/22/38/17/550223817.db2.gz FDEXRLJKHJIGOT-LBPRGKRZSA-N -1 3 364.261 2.095 20 10 FECDHM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000270739341 550302441 /nfs/dbraw/zinc/30/24/41/550302441.db2.gz BZUPCZRRFJAMDT-XHDPSFHLSA-N -1 3 370.471 2.087 20 10 FECDHM C[C@H](NCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273414887 550498000 /nfs/dbraw/zinc/49/80/00/550498000.db2.gz QQDHDOBMPILXGA-LBPRGKRZSA-N -1 3 350.396 2.425 20 10 FECDHM CC[C@]1(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CCC(=O)NC1=O ZINC000274916398 550564803 /nfs/dbraw/zinc/56/48/03/550564803.db2.gz WFAIOZPADQRKQZ-HXUWFJFHSA-N -1 3 368.389 2.435 20 10 FECDHM COc1c([O-])c(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278302424 550770767 /nfs/dbraw/zinc/77/07/67/550770767.db2.gz WAMPXWGLMIZDIL-GFCCVEGCSA-N -1 3 352.387 2.473 20 10 FECDHM C[C@@H](NC[C@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285780428 551809604 /nfs/dbraw/zinc/80/96/04/551809604.db2.gz UPZIIMCMIQMTKO-YGRLFVJLSA-N -1 3 363.336 2.214 20 10 FECDHM C[C@@H]1COCC[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286409675 551884641 /nfs/dbraw/zinc/88/46/41/551884641.db2.gz RQSQEGNJBQKNRU-VXGBXAGGSA-N -1 3 352.818 2.482 20 10 FECDHM CCN1CC[C@H]2OCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000293644898 552843365 /nfs/dbraw/zinc/84/33/65/552843365.db2.gz MNJVMMPZDXGTJR-LSDHHAIUSA-N -1 3 355.822 2.249 20 10 FECDHM O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1c(F)ccc(O)c1[O-] ZINC000296623489 553189402 /nfs/dbraw/zinc/18/94/02/553189402.db2.gz HGFSVJBDTRRYON-OAHLLOKOSA-N -1 3 374.412 2.258 20 10 FECDHM COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000364573220 555342133 /nfs/dbraw/zinc/34/21/33/555342133.db2.gz BHDOGFMGAJEBLO-MRXNPFEDSA-N -1 3 370.405 2.027 20 10 FECDHM Cc1ccc(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)c([O-])c1O ZINC000365007655 555463360 /nfs/dbraw/zinc/46/33/60/555463360.db2.gz AYSJSBLRGQIMGW-INIZCTEOSA-N -1 3 355.438 2.443 20 10 FECDHM CCOC(=O)C1(S(C)(=O)=O)CCN([C@H](CC)c2ccccc2[O-])CC1 ZINC000377693979 558399365 /nfs/dbraw/zinc/39/93/65/558399365.db2.gz KJZMNGHQJSYEKX-OAHLLOKOSA-N -1 3 369.483 2.286 20 10 FECDHM Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c([O-])c1O ZINC000378562668 558584126 /nfs/dbraw/zinc/58/41/26/558584126.db2.gz WNZRJQMELLFQJV-CYBMUJFWSA-N -1 3 372.425 2.061 20 10 FECDHM CC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735458406 598622703 /nfs/dbraw/zinc/62/27/03/598622703.db2.gz MYCNCLRTWMSXOC-ZDUSSCGKSA-N -1 3 353.382 2.409 20 10 FECDHM CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)CC1 ZINC000824961119 607731059 /nfs/dbraw/zinc/73/10/59/607731059.db2.gz BFHCKHDGQQNGAX-UHFFFAOYSA-N -1 3 365.441 2.361 20 10 FECDHM CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)CC1 ZINC000824961119 607731061 /nfs/dbraw/zinc/73/10/61/607731061.db2.gz BFHCKHDGQQNGAX-UHFFFAOYSA-N -1 3 365.441 2.361 20 10 FECDHM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCc2[nH]cnc2C1 ZINC000811950646 674642038 /nfs/dbraw/zinc/64/20/38/674642038.db2.gz JQUFFGJHVWQPGX-JTQLQIEISA-N -1 3 365.231 2.235 20 10 FECDHM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCc2nc[nH]c2C1 ZINC000811950646 674642041 /nfs/dbraw/zinc/64/20/41/674642041.db2.gz JQUFFGJHVWQPGX-JTQLQIEISA-N -1 3 365.231 2.235 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)C(F)F)c1 ZINC000817224418 675112327 /nfs/dbraw/zinc/11/23/27/675112327.db2.gz PKCWRYYEHKUQKQ-AWEZNQCLSA-N -1 3 370.377 2.500 20 10 FECDHM CCc1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000080938131 670634874 /nfs/dbraw/zinc/63/48/74/670634874.db2.gz MJNIDBGCCPZHLZ-UHFFFAOYSA-N -1 3 354.453 2.421 20 10 FECDHM COC(=O)CN(CC(=O)NC1CCCCC1)Cc1cc(Cl)ccc1[O-] ZINC000109779949 670844918 /nfs/dbraw/zinc/84/49/18/670844918.db2.gz ODSCZXRUNGGOKY-UHFFFAOYSA-N -1 3 368.861 2.470 20 10 FECDHM CN(Cc1c(F)cccc1F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000818552357 675224596 /nfs/dbraw/zinc/22/45/96/675224596.db2.gz WPIJROWWRWRRHB-UHFFFAOYSA-N -1 3 370.377 2.314 20 10 FECDHM Cn1cc(CN2CCN(Cc3ccc(Br)cc3[O-])CC2)cn1 ZINC000824693921 675616661 /nfs/dbraw/zinc/61/66/61/675616661.db2.gz KEKCTLSOPSKQPW-UHFFFAOYSA-N -1 3 365.275 2.206 20 10 FECDHM Cc1nc([C@H]2COCCN2Cc2ccc(Br)cc2[O-])no1 ZINC000825462025 675654195 /nfs/dbraw/zinc/65/41/95/675654195.db2.gz XCOOMQYXYDGXLH-GFCCVEGCSA-N -1 3 354.204 2.420 20 10 FECDHM COC[C@@]1(C(=O)OC)CCCN1Cc1ccc(Br)cc1[O-] ZINC000827489951 675759990 /nfs/dbraw/zinc/75/99/90/675759990.db2.gz YYBHNXLJOVDQCS-OAHLLOKOSA-N -1 3 358.232 2.309 20 10 FECDHM CC[C@@H](CC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000761021167 680707888 /nfs/dbraw/zinc/70/78/88/680707888.db2.gz LXULNIMRFFBLON-QMMMGPOBSA-N -1 3 354.350 2.225 20 10 FECDHM O=S1(=O)CCCN1C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000840954209 680856813 /nfs/dbraw/zinc/85/68/13/680856813.db2.gz ILNJVGCITIYFTL-UHFFFAOYSA-N -1 3 362.854 2.185 20 10 FECDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(OC)ccc2O)s1 ZINC000751319074 680167670 /nfs/dbraw/zinc/16/76/70/680167670.db2.gz RZVPJRUFMOZJIQ-VIFPVBQESA-N -1 3 371.436 2.288 20 10 FECDHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000754793058 680378921 /nfs/dbraw/zinc/37/89/21/680378921.db2.gz MORXFPYNHQSVJG-GFCCVEGCSA-N -1 3 367.496 2.328 20 10 FECDHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000754793059 680379071 /nfs/dbraw/zinc/37/90/71/680379071.db2.gz MORXFPYNHQSVJG-LBPRGKRZSA-N -1 3 367.496 2.328 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@@H]2C2CCC2)c1 ZINC000841464727 680884058 /nfs/dbraw/zinc/88/40/58/680884058.db2.gz RFORCUPIBOUOAO-CQSZACIVSA-N -1 3 370.496 2.121 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]2c2cccc(F)c2)c1 ZINC000769922707 681000668 /nfs/dbraw/zinc/00/06/68/681000668.db2.gz AENYFWYTVYYSML-OAHLLOKOSA-N -1 3 364.398 2.490 20 10 FECDHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000773089774 681125247 /nfs/dbraw/zinc/12/52/47/681125247.db2.gz VPQNZOFXAPGBLP-LLVKDONJSA-N -1 3 366.439 2.480 20 10 FECDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1NC(C)=O ZINC000776747882 681432981 /nfs/dbraw/zinc/43/29/81/681432981.db2.gz PSHRRSWXNWHCIM-UHFFFAOYSA-N -1 3 350.396 2.468 20 10 FECDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000780758992 681868408 /nfs/dbraw/zinc/86/84/08/681868408.db2.gz VMTUACNEMPDCKO-UHFFFAOYSA-N -1 3 362.411 2.094 20 10 FECDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CCNC(C)=O)cc1 ZINC000790416080 682675040 /nfs/dbraw/zinc/67/50/40/682675040.db2.gz OYTXGTXXXLCRPR-UHFFFAOYSA-N -1 3 362.451 2.434 20 10 FECDHM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1F ZINC000856329613 682766285 /nfs/dbraw/zinc/76/62/85/682766285.db2.gz AKFCSMKXQDKBDR-VXGBXAGGSA-N -1 3 354.378 2.175 20 10 FECDHM COC(=O)c1cnc([C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)s1 ZINC000856462249 682785743 /nfs/dbraw/zinc/78/57/43/682785743.db2.gz YGTAJEJRQPOOKP-SNVBAGLBSA-N -1 3 362.407 2.361 20 10 FECDHM CN(C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1)S(C)(=O)=O ZINC000792164501 682792980 /nfs/dbraw/zinc/79/29/80/682792980.db2.gz JLMHNBBXEGZIIG-UHFFFAOYSA-N -1 3 350.843 2.041 20 10 FECDHM C[C@H](N[C@H]1CNOC1)c1cc(Br)cc(Br)c1[O-] ZINC000925869337 683045752 /nfs/dbraw/zinc/04/57/52/683045752.db2.gz JSFAZAIMDCLKOQ-XPUUQOCRSA-N -1 3 366.053 2.471 20 10 FECDHM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2c([O-])cccc2F)C1 ZINC000928708496 683491500 /nfs/dbraw/zinc/49/15/00/683491500.db2.gz MWTQIGLMEXJDEX-GFCCVEGCSA-N -1 3 350.390 2.405 20 10 FECDHM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1c([O-])cccc1F ZINC000928711152 683492415 /nfs/dbraw/zinc/49/24/15/683492415.db2.gz FSPQSHIMEOLNRY-LRDDRELGSA-N -1 3 351.422 2.368 20 10 FECDHM CCS(=O)(=O)c1ccc(CNC(=O)NCc2c([O-])cccc2F)s1 ZINC000922260616 683689018 /nfs/dbraw/zinc/68/90/18/683689018.db2.gz KQOZYTBAYYIUDM-UHFFFAOYSA-N -1 3 372.443 2.386 20 10 FECDHM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000866753116 684145609 /nfs/dbraw/zinc/14/56/09/684145609.db2.gz JCRAMYBBBLRHGY-HSZRJFAPSA-N -1 3 373.544 2.375 20 10 FECDHM COC(=O)[C@H](Cc1cncs1)NCc1ccc(Br)cc1[O-] ZINC000877804056 686467912 /nfs/dbraw/zinc/46/79/12/686467912.db2.gz NARLUSYCSCLDEQ-LBPRGKRZSA-N -1 3 371.256 2.485 20 10 FECDHM C[C@]12CN(Cc3c([O-])cccc3Br)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877813589 686469819 /nfs/dbraw/zinc/46/98/19/686469819.db2.gz MSRMJTZBTKNIOQ-GASCZTMLSA-N -1 3 374.300 2.411 20 10 FECDHM COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3cccnc3F)C2)cc1 ZINC000882277143 687340871 /nfs/dbraw/zinc/34/08/71/687340871.db2.gz XOMCTYKJGGHXNW-CYBMUJFWSA-N -1 3 365.430 2.034 20 10 FECDHM C[C@]12CN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000887884750 688511613 /nfs/dbraw/zinc/51/16/13/688511613.db2.gz IZQZCARIFSBJHW-ZQUVKOLYSA-N -1 3 364.467 2.272 20 10 FECDHM Cn1nccc1[C@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000897567230 690040848 /nfs/dbraw/zinc/04/08/48/690040848.db2.gz HELNVYVUQUAADL-OAHLLOKOSA-N -1 3 352.232 2.462 20 10 FECDHM CN(C)[S@@](C)(=O)=NCC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000898401375 690176865 /nfs/dbraw/zinc/17/68/65/690176865.db2.gz QANCSZWQZBTWBO-DEOSSOPVSA-N -1 3 361.458 2.457 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000055136549 540630585 /nfs/dbraw/zinc/63/05/85/540630585.db2.gz OOBHLYCMIHXVJY-VIFPVBQESA-N -1 3 366.361 2.178 20 10 FECDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(N(C)C)c(F)c1 ZINC000058507306 540846894 /nfs/dbraw/zinc/84/68/94/540846894.db2.gz BHOFTALYCFLFLL-UHFFFAOYSA-N -1 3 360.842 2.066 20 10 FECDHM C[C@@H](Cc1cccs1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000097375173 543011009 /nfs/dbraw/zinc/01/10/09/543011009.db2.gz XWUVRRZMPWPEPZ-JTQLQIEISA-N -1 3 354.453 2.186 20 10 FECDHM O=S(=O)(CCCF)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000161827217 546133692 /nfs/dbraw/zinc/13/36/92/546133692.db2.gz XZUVWIPEPRHRBW-AWEZNQCLSA-N -1 3 364.870 2.289 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1oc(C)nc1C ZINC000181588175 547339679 /nfs/dbraw/zinc/33/96/79/547339679.db2.gz AELGMBAWUAWFLN-UHFFFAOYSA-N -1 3 352.774 2.466 20 10 FECDHM Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)c([O-])c1O ZINC000182458106 547496067 /nfs/dbraw/zinc/49/60/67/547496067.db2.gz PELGMMBRBDNDLJ-UHFFFAOYSA-N -1 3 361.829 2.413 20 10 FECDHM CCc1cc(N2CCC(NC(=O)c3ccc(C)c(O)c3[O-])CC2)ncn1 ZINC000182558202 547512587 /nfs/dbraw/zinc/51/25/87/547512587.db2.gz CALNPODVVOCSCA-UHFFFAOYSA-N -1 3 356.426 2.157 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000271213588 550353894 /nfs/dbraw/zinc/35/38/94/550353894.db2.gz MPFFCCFQVXTZPV-HNNXBMFYSA-N -1 3 361.423 2.136 20 10 FECDHM CCN1C(=S)N=NC1C1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000271256827 550358431 /nfs/dbraw/zinc/35/84/31/550358431.db2.gz ITBCUAJKXTYTRS-UHFFFAOYSA-N -1 3 362.455 2.326 20 10 FECDHM O=C(NC1CC1)N[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000273795755 550511548 /nfs/dbraw/zinc/51/15/48/550511548.db2.gz WAVVYMAOBIZNOM-ZDUSSCGKSA-N -1 3 354.248 2.191 20 10 FECDHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000277608554 550691412 /nfs/dbraw/zinc/69/14/12/550691412.db2.gz PMXCIRDHEFJXFN-DGCLKSJQSA-N -1 3 350.415 2.391 20 10 FECDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]12 ZINC000280460853 550996569 /nfs/dbraw/zinc/99/65/69/550996569.db2.gz MEEKAPVRLXBRBG-KWCYVHTRSA-N -1 3 362.426 2.473 20 10 FECDHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3)cc2CC1 ZINC000283978129 551460861 /nfs/dbraw/zinc/46/08/61/551460861.db2.gz SSRSWZAWMIBJBL-UHFFFAOYSA-N -1 3 360.435 2.140 20 10 FECDHM C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000291455186 552626105 /nfs/dbraw/zinc/62/61/05/552626105.db2.gz CSSJPYKRPXKDAW-BXUZGUMPSA-N -1 3 355.822 2.249 20 10 FECDHM Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)Cc3ccccc3)C2)c([O-])c1O ZINC000364696311 555377653 /nfs/dbraw/zinc/37/76/53/555377653.db2.gz BFSVHZGOBGYDDP-MRXNPFEDSA-N -1 3 368.433 2.227 20 10 FECDHM COc1c([O-])c(CN[C@@H](C)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000365796311 555669235 /nfs/dbraw/zinc/66/92/35/555669235.db2.gz PDJIOAMNXBFALB-NSHDSACASA-N -1 3 361.402 2.478 20 10 FECDHM COc1c([O-])c(CN2CCC(OC[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000365817426 555674224 /nfs/dbraw/zinc/67/42/24/555674224.db2.gz IJSBVEICVQXRCW-CYBMUJFWSA-N -1 3 366.414 2.327 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](N3CCNC3=O)C2)c1[O-] ZINC000365885224 555692583 /nfs/dbraw/zinc/69/25/83/555692583.db2.gz LUBANCSNUCXVPA-AWEZNQCLSA-N -1 3 351.834 2.238 20 10 FECDHM Cc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)c([O-])c1O ZINC000367858919 556156958 /nfs/dbraw/zinc/15/69/58/556156958.db2.gz XRMXFSLQBOQUJM-HNNXBMFYSA-N -1 3 358.438 2.269 20 10 FECDHM COc1c([O-])c(CN2CCCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000370082718 556776200 /nfs/dbraw/zinc/77/62/00/556776200.db2.gz OXBRZDUJZUQXKW-UHFFFAOYSA-N -1 3 358.398 2.416 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCn3c(CC(F)(F)F)nnc3C2)c1[O-] ZINC000373288789 557665978 /nfs/dbraw/zinc/66/59/78/557665978.db2.gz ZKMDTSCXRDHEGR-UHFFFAOYSA-N -1 3 372.322 2.446 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC(N3C(=O)CCCC3=O)CC2)c1[O-] ZINC000375318328 558008173 /nfs/dbraw/zinc/00/81/73/558008173.db2.gz JNDZCWBHIHKHBQ-UHFFFAOYSA-N -1 3 362.401 2.237 20 10 FECDHM Cc1cc(-c2nc(N(C)C)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822130566 607259178 /nfs/dbraw/zinc/25/91/78/607259178.db2.gz VZLHQSSISASFAS-UHFFFAOYSA-N -1 3 350.386 2.390 20 10 FECDHM COCCN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988405 599203846 /nfs/dbraw/zinc/20/38/46/599203846.db2.gz LLGLBRRIRCFADR-UQCOIBPSSA-N -1 3 368.372 2.094 20 10 FECDHM COCCN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988405 599203848 /nfs/dbraw/zinc/20/38/48/599203848.db2.gz LLGLBRRIRCFADR-UQCOIBPSSA-N -1 3 368.372 2.094 20 10 FECDHM CCOCCN1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737176962 600280405 /nfs/dbraw/zinc/28/04/05/600280405.db2.gz KQOLKURLMVKBAU-UHFFFAOYSA-N -1 3 358.438 2.398 20 10 FECDHM CCOC(=O)c1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])o1 ZINC000809742818 674508266 /nfs/dbraw/zinc/50/82/66/674508266.db2.gz FUVQVUNJFRVJJG-UHFFFAOYSA-N -1 3 350.327 2.369 20 10 FECDHM O=S(=O)(NC[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1)C1CC1 ZINC000809784807 674509806 /nfs/dbraw/zinc/50/98/06/674509806.db2.gz NPVNNUNYAITFDN-LBPRGKRZSA-N -1 3 358.891 2.339 20 10 FECDHM C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825871332 603854315 /nfs/dbraw/zinc/85/43/15/603854315.db2.gz DOWCEWWEEIHILV-CKEIUWERSA-N -1 3 362.474 2.050 20 10 FECDHM CN(C)c1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)cn2C)C2CC2)cc1 ZINC000821589226 606219919 /nfs/dbraw/zinc/21/99/19/606219919.db2.gz DGDVDDYOHHUIRF-UHFFFAOYSA-N -1 3 365.441 2.076 20 10 FECDHM CN(C)c1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)cn2C)C2CC2)cc1 ZINC000821589226 606219921 /nfs/dbraw/zinc/21/99/21/606219921.db2.gz DGDVDDYOHHUIRF-UHFFFAOYSA-N -1 3 365.441 2.076 20 10 FECDHM COc1ccc(N(C)CC(=O)Nc2sccc2-c2nnn[n-]2)cc1F ZINC000821827665 606881665 /nfs/dbraw/zinc/88/16/65/606881665.db2.gz HMVXNXNSHQWNLU-UHFFFAOYSA-N -1 3 362.390 2.151 20 10 FECDHM COc1ccc(N(C)CC(=O)Nc2sccc2-c2nn[n-]n2)cc1F ZINC000821827665 606881667 /nfs/dbraw/zinc/88/16/67/606881667.db2.gz HMVXNXNSHQWNLU-UHFFFAOYSA-N -1 3 362.390 2.151 20 10 FECDHM Cc1cc(C(=O)N[C@@H](C)[C@@H](C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258143 607941450 /nfs/dbraw/zinc/94/14/50/607941450.db2.gz BHNFXPHKUCWZCV-AAEUAGOBSA-N -1 3 368.441 2.021 20 10 FECDHM COc1cc(O)c(CN(C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826181152 608546249 /nfs/dbraw/zinc/54/62/49/608546249.db2.gz MUEUFPOHPFVHPM-UHFFFAOYSA-N -1 3 359.361 2.365 20 10 FECDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824457598 609417715 /nfs/dbraw/zinc/41/77/15/609417715.db2.gz QPVUGKDUIHBUNM-SECBINFHSA-N -1 3 356.342 2.229 20 10 FECDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824457598 609417717 /nfs/dbraw/zinc/41/77/17/609417717.db2.gz QPVUGKDUIHBUNM-SECBINFHSA-N -1 3 356.342 2.229 20 10 FECDHM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000582787297 672033972 /nfs/dbraw/zinc/03/39/72/672033972.db2.gz DMAIEYZRJSKXOS-UHFFFAOYSA-N -1 3 360.439 2.318 20 10 FECDHM C[C@@H]1Cc2ccccc2CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179614172 672403866 /nfs/dbraw/zinc/40/38/66/672403866.db2.gz GHNCQDHOCUOQJY-GFCCVEGCSA-N -1 3 360.435 2.351 20 10 FECDHM CCS[C@H]1CCCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000737893255 673586240 /nfs/dbraw/zinc/58/62/40/673586240.db2.gz BVXZICSWLCJOQD-LBPRGKRZSA-N -1 3 350.444 2.241 20 10 FECDHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1ccc(Br)cc1[O-] ZINC000825442067 675653323 /nfs/dbraw/zinc/65/33/23/675653323.db2.gz WIRZFCALANJRLB-QWHCGFSZSA-N -1 3 358.232 2.307 20 10 FECDHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000825468129 675654683 /nfs/dbraw/zinc/65/46/83/675654683.db2.gz GIUCMYJZXVYGTJ-SMDDNHRTSA-N -1 3 355.818 2.281 20 10 FECDHM CC[C@@H](C)NC(=O)CN1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840909994 680852294 /nfs/dbraw/zinc/85/22/94/680852294.db2.gz JHRWJSYEMAMEST-CQSZACIVSA-N -1 3 353.894 2.386 20 10 FECDHM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1 ZINC000758171574 680559514 /nfs/dbraw/zinc/55/95/14/680559514.db2.gz VMCODZHMSLKSKB-UHFFFAOYSA-N -1 3 359.400 2.126 20 10 FECDHM CCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccn1 ZINC000769765689 680994285 /nfs/dbraw/zinc/99/42/85/680994285.db2.gz NHQMEBQPFLIFGC-OAHLLOKOSA-N -1 3 363.439 2.430 20 10 FECDHM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000783868093 682183063 /nfs/dbraw/zinc/18/30/63/682183063.db2.gz AXRVNWRRKMQKJJ-LLVKDONJSA-N -1 3 368.377 2.471 20 10 FECDHM CCC(O)(CC)C(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000855347819 682660430 /nfs/dbraw/zinc/66/04/30/682660430.db2.gz VLCHJAVOHJZHOJ-UHFFFAOYSA-N -1 3 372.487 2.071 20 10 FECDHM O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1cccc(O)c1[O-] ZINC000790912428 682712407 /nfs/dbraw/zinc/71/24/07/682712407.db2.gz UBNUCSWAZYONLO-SECBINFHSA-N -1 3 364.760 2.426 20 10 FECDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(O)c1 ZINC000795362420 683044934 /nfs/dbraw/zinc/04/49/34/683044934.db2.gz LSVVZWJFPULIJI-UHFFFAOYSA-N -1 3 372.786 2.441 20 10 FECDHM CO[C@@H](CS(=O)(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC000921450558 683472124 /nfs/dbraw/zinc/47/21/24/683472124.db2.gz ASKHFAJLDUOBDU-INIZCTEOSA-N -1 3 357.378 2.478 20 10 FECDHM CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2c([O-])cccc2F)CC1(F)F ZINC000928709525 683491793 /nfs/dbraw/zinc/49/17/93/683491793.db2.gz JAJSTEKTYDKAFA-OAHLLOKOSA-N -1 3 360.332 2.450 20 10 FECDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000928712217 683492622 /nfs/dbraw/zinc/49/26/22/683492622.db2.gz OVFPKQZOLUPFRR-LLVKDONJSA-N -1 3 364.295 2.311 20 10 FECDHM CC(C)(C)OC(=O)NC/C=C/CNC(=O)NCc1c([O-])cccc1F ZINC000922512948 683738686 /nfs/dbraw/zinc/73/86/86/683738686.db2.gz LIIAYBTZTVXXTM-SNAWJCMRSA-N -1 3 353.394 2.411 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCSC[C@@H]2C2CC2)c1 ZINC000888491202 688622840 /nfs/dbraw/zinc/62/28/40/688622840.db2.gz PQVXGLMIPVLLSM-CQSZACIVSA-N -1 3 370.496 2.121 20 10 FECDHM Cc1cc([O-])c(CN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)cc1Cl ZINC000895378994 689706823 /nfs/dbraw/zinc/70/68/23/689706823.db2.gz LAVCJYMDGJQWJP-NPMXOYFQSA-N -1 3 353.875 2.393 20 10 FECDHM Nc1nc(C2CC2)nc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000897575064 690042595 /nfs/dbraw/zinc/04/25/95/690042595.db2.gz OOSBPDJDSLIWKU-UHFFFAOYSA-N -1 3 360.849 2.012 20 10 FECDHM CCOc1ccc(O)c(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000092937793 542897253 /nfs/dbraw/zinc/89/72/53/542897253.db2.gz MRYPSUJJLRHRQH-UHFFFAOYSA-N -1 3 356.422 2.455 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000124194958 543805709 /nfs/dbraw/zinc/80/57/09/543805709.db2.gz NDWAVYQQCNDDRF-AWEZNQCLSA-N -1 3 360.435 2.393 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCNC(C)=O ZINC000173926772 546288288 /nfs/dbraw/zinc/28/82/88/546288288.db2.gz GLZSFWMILJIGCK-UHFFFAOYSA-N -1 3 372.263 2.212 20 10 FECDHM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c([O-])c1O ZINC000179494635 546965305 /nfs/dbraw/zinc/96/53/05/546965305.db2.gz IQCHRSUHTHXILL-OAHLLOKOSA-N -1 3 358.369 2.423 20 10 FECDHM Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(F)c(F)c3[O-])C2=O)n(C)n1 ZINC000187791108 548264362 /nfs/dbraw/zinc/26/43/62/548264362.db2.gz HLRFPVRHKSOOLD-GXFFZTMASA-N -1 3 350.369 2.168 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192975434 548377145 /nfs/dbraw/zinc/37/71/45/548377145.db2.gz QOUQFFUEAHLBKP-UHFFFAOYSA-N -1 3 358.369 2.225 20 10 FECDHM COc1cc(OC)c(CNC(=O)CN(C)Cc2ccccc2[O-])c(OC)c1 ZINC000264698509 549999505 /nfs/dbraw/zinc/99/95/05/549999505.db2.gz JHRZPAHCBSZMNR-UHFFFAOYSA-N -1 3 374.437 2.166 20 10 FECDHM Cc1cc(NC(=O)CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n(C)n1 ZINC000265129820 550006636 /nfs/dbraw/zinc/00/66/36/550006636.db2.gz MQKOCRVCRWXKCH-INIZCTEOSA-N -1 3 358.442 2.054 20 10 FECDHM CCSCC[C@@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271217677 550354397 /nfs/dbraw/zinc/35/43/97/550354397.db2.gz BPYVERWUHHTNAK-LLVKDONJSA-N -1 3 360.501 2.367 20 10 FECDHM CCC(CC)N(CCOC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271230347 550355721 /nfs/dbraw/zinc/35/57/21/550355721.db2.gz ISYDAEOZDWNCHE-UHFFFAOYSA-N -1 3 358.460 2.041 20 10 FECDHM C[C@@H](CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nccs1 ZINC000273538154 550502044 /nfs/dbraw/zinc/50/20/44/550502044.db2.gz SQOUEOOGFWBOAX-JTQLQIEISA-N -1 3 369.468 2.096 20 10 FECDHM O=C(NC1CCCCC1)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000274881663 550562169 /nfs/dbraw/zinc/56/21/69/550562169.db2.gz IOKLGPBECKJMDM-UHFFFAOYSA-N -1 3 361.442 2.334 20 10 FECDHM COc1c([O-])c(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278242832 550764387 /nfs/dbraw/zinc/76/43/87/550764387.db2.gz OEKUGHXBVMUBOP-GFCCVEGCSA-N -1 3 367.402 2.408 20 10 FECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000280313026 550979584 /nfs/dbraw/zinc/97/95/84/550979584.db2.gz XXUZLGRCSDKXLD-LBPRGKRZSA-N -1 3 370.405 2.246 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCCC2(F)F)c1 ZINC000295432649 553006011 /nfs/dbraw/zinc/00/60/11/553006011.db2.gz NOVVLMZZLXIWMQ-JTQLQIEISA-N -1 3 362.398 2.319 20 10 FECDHM CN(c1ccc(CNC(=O)c2cn(C)c(=O)[n-]c2=O)cc1)C1CCCCC1 ZINC000299306174 553545289 /nfs/dbraw/zinc/54/52/89/553545289.db2.gz AIYDHUSDGJKJGF-UHFFFAOYSA-N -1 3 370.453 2.185 20 10 FECDHM Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3ccco3)C2)c([O-])c1O ZINC000367274429 556005413 /nfs/dbraw/zinc/00/54/13/556005413.db2.gz MKCWJTRNCFSVIU-CYBMUJFWSA-N -1 3 358.394 2.281 20 10 FECDHM O=C(CC1OCCCO1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000373539315 557713738 /nfs/dbraw/zinc/71/37/38/557713738.db2.gz QZYHEKQZHAPQFK-HNNXBMFYSA-N -1 3 368.861 2.279 20 10 FECDHM COc1ccc(C2=NO[C@@H](CNC(=O)c3cccc(O)c3[O-])C2)cc1F ZINC000374774014 557929392 /nfs/dbraw/zinc/92/93/92/557929392.db2.gz AAAVEXXQJZRIRI-LLVKDONJSA-N -1 3 360.341 2.169 20 10 FECDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000376029304 558116349 /nfs/dbraw/zinc/11/63/49/558116349.db2.gz NRNNTNUGBMVLKQ-RDTXWAMCSA-N -1 3 366.414 2.469 20 10 FECDHM COCCCn1cc(C(=O)NCc2cc(Br)ccc2[O-])cn1 ZINC000529391069 562372283 /nfs/dbraw/zinc/37/22/83/562372283.db2.gz XJNRZRSRLOPCBY-UHFFFAOYSA-N -1 3 368.231 2.318 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1sccc1-c1nnn[n-]1 ZINC000821589343 599216016 /nfs/dbraw/zinc/21/60/16/599216016.db2.gz KBMGNOCMOIGNNO-UHFFFAOYSA-N -1 3 356.411 2.033 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1sccc1-c1nn[n-]n1 ZINC000821589343 599216019 /nfs/dbraw/zinc/21/60/19/599216019.db2.gz KBMGNOCMOIGNNO-UHFFFAOYSA-N -1 3 356.411 2.033 20 10 FECDHM COc1ccc(N2CCC(Nc3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000737100302 598352761 /nfs/dbraw/zinc/35/27/61/598352761.db2.gz WEGYFQYTORQZQA-UHFFFAOYSA-N -1 3 351.414 2.351 20 10 FECDHM COc1ccc(N2CCC(Nc3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000737100302 598352763 /nfs/dbraw/zinc/35/27/63/598352763.db2.gz WEGYFQYTORQZQA-UHFFFAOYSA-N -1 3 351.414 2.351 20 10 FECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822929648 607451576 /nfs/dbraw/zinc/45/15/76/607451576.db2.gz WHAQYAYVMWRYPC-KXFIGUGUSA-N -1 3 356.313 2.174 20 10 FECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822929648 607451577 /nfs/dbraw/zinc/45/15/77/607451577.db2.gz WHAQYAYVMWRYPC-KXFIGUGUSA-N -1 3 356.313 2.174 20 10 FECDHM CC[C@@H](CCO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825114732 607907586 /nfs/dbraw/zinc/90/75/86/607907586.db2.gz PLZYVJFKXZYULY-HNNXBMFYSA-N -1 3 368.441 2.165 20 10 FECDHM CN(C)c1ccc(CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000825879178 609199902 /nfs/dbraw/zinc/19/99/02/609199902.db2.gz IVFQBSRGIISRJC-UHFFFAOYSA-N -1 3 351.414 2.066 20 10 FECDHM CN(C)c1ccc(CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000825879178 609199904 /nfs/dbraw/zinc/19/99/04/609199904.db2.gz IVFQBSRGIISRJC-UHFFFAOYSA-N -1 3 351.414 2.066 20 10 FECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824292888 609200240 /nfs/dbraw/zinc/20/02/40/609200240.db2.gz CFTMZONLHQMQQR-UHFFFAOYSA-N -1 3 353.430 2.312 20 10 FECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824292888 609200242 /nfs/dbraw/zinc/20/02/42/609200242.db2.gz CFTMZONLHQMQQR-UHFFFAOYSA-N -1 3 353.430 2.312 20 10 FECDHM CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055194371 670347613 /nfs/dbraw/zinc/34/76/13/670347613.db2.gz QNDOFQFNKQCHHC-UHFFFAOYSA-N -1 3 370.377 2.314 20 10 FECDHM COC(=O)CN(CC(=O)N[C@@H](C)C(C)C)Cc1cc(Cl)ccc1[O-] ZINC000109779786 670843907 /nfs/dbraw/zinc/84/39/07/670843907.db2.gz KGUXKLSRMNJWKP-LBPRGKRZSA-N -1 3 356.850 2.181 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC000111632602 670859700 /nfs/dbraw/zinc/85/97/00/670859700.db2.gz TXAJQNNJQCXQMH-ZDUSSCGKSA-N -1 3 360.435 2.224 20 10 FECDHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC000156218421 672243445 /nfs/dbraw/zinc/24/34/45/672243445.db2.gz DUWGWOKUMMPBME-UHFFFAOYSA-N -1 3 366.414 2.157 20 10 FECDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCSc1nccs1 ZINC000733900469 673443374 /nfs/dbraw/zinc/44/33/74/673443374.db2.gz ZEAVUHMHCYYWLQ-UHFFFAOYSA-N -1 3 366.921 2.299 20 10 FECDHM COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3ccc(C)o3)C2)cc1 ZINC000819886674 675319066 /nfs/dbraw/zinc/31/90/66/675319066.db2.gz AJLPDWYQVNCFGI-AWEZNQCLSA-N -1 3 350.440 2.401 20 10 FECDHM O=C1CN(Cc2ccc(Br)cc2[O-])CN1CC(F)(F)F ZINC000825692814 675664117 /nfs/dbraw/zinc/66/41/17/675664117.db2.gz NXOZFMPJVVDILW-UHFFFAOYSA-N -1 3 353.138 2.319 20 10 FECDHM CN(C)C(=O)N[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000826100232 675682040 /nfs/dbraw/zinc/68/20/40/675682040.db2.gz NXTDIDIGJZHKRK-CYBMUJFWSA-N -1 3 356.264 2.390 20 10 FECDHM Cc1cc([O-])c(CN2CCN(CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840910351 680852133 /nfs/dbraw/zinc/85/21/33/680852133.db2.gz RNBUHRDSRBHLQM-UHFFFAOYSA-N -1 3 351.878 2.094 20 10 FECDHM COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000874043532 685278526 /nfs/dbraw/zinc/27/85/26/685278526.db2.gz UVMJHYPHGWUDEF-OAHLLOKOSA-N -1 3 358.232 2.386 20 10 FECDHM COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000874043532 685278530 /nfs/dbraw/zinc/27/85/30/685278530.db2.gz UVMJHYPHGWUDEF-OAHLLOKOSA-N -1 3 358.232 2.386 20 10 FECDHM COCCNC(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000750037232 680097232 /nfs/dbraw/zinc/09/72/32/680097232.db2.gz XHDDSLFZQLAJHF-UHFFFAOYSA-N -1 3 368.861 2.223 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1[O-] ZINC000750044511 680097262 /nfs/dbraw/zinc/09/72/62/680097262.db2.gz YKDZCCNGQBDXHU-SJORKVTESA-N -1 3 352.862 2.279 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCSC3(CCC3)C2)c1 ZINC000834739298 680262214 /nfs/dbraw/zinc/26/22/14/680262214.db2.gz KYQZCSZRLKXPGO-GFCCVEGCSA-N -1 3 370.496 2.312 20 10 FECDHM CCOC(=O)Cc1cnc(N(C)C(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000837188507 680565475 /nfs/dbraw/zinc/56/54/75/680565475.db2.gz MGMLHXZBAPKWAU-UHFFFAOYSA-N -1 3 350.396 2.245 20 10 FECDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1[O-] ZINC000844743879 681078951 /nfs/dbraw/zinc/07/89/51/681078951.db2.gz FBKWVIWNTJHQIJ-DZWULXIXSA-N -1 3 357.431 2.034 20 10 FECDHM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1[O-] ZINC000844743879 681078952 /nfs/dbraw/zinc/07/89/52/681078952.db2.gz FBKWVIWNTJHQIJ-DZWULXIXSA-N -1 3 357.431 2.034 20 10 FECDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c(C)c(C)c1O ZINC000775291915 681293747 /nfs/dbraw/zinc/29/37/47/681293747.db2.gz QZAGPMOYJIIJLI-UHFFFAOYSA-N 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CC(=O)c1cn(C2CN(Cc3cc(Br)ccc3[O-])C2)nn1 ZINC000897936919 690104212 /nfs/dbraw/zinc/10/42/12/690104212.db2.gz CUFZSIQJXCHHKN-UHFFFAOYSA-N -1 3 351.204 2.006 20 10 FECDHM C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(C)Cc1ccccc1[O-] ZINC000111235251 543388511 /nfs/dbraw/zinc/38/85/11/543388511.db2.gz PBZQMDZZIPGZFQ-GDBMZVCRSA-N -1 3 356.422 2.169 20 10 FECDHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(N2CCOCC2)cc1 ZINC000155752873 545564777 /nfs/dbraw/zinc/56/47/77/545564777.db2.gz SBGVTMQFBFSGJC-UHFFFAOYSA-N -1 3 368.480 2.072 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC(C)(N3CCOCC3)CC2)c1[O-] ZINC000528729531 562344391 /nfs/dbraw/zinc/34/43/91/562344391.db2.gz SSQFYOOYXWMKCX-UHFFFAOYSA-N -1 3 350.434 2.421 20 10 FECDHM Cc1cc(Br)cc(CN2CCc3nn(C)c(=O)cc3C2)c1[O-] ZINC000180528542 547125005 /nfs/dbraw/zinc/12/50/05/547125005.db2.gz AIJXGAJDSAGGPK-UHFFFAOYSA-N -1 3 364.243 2.115 20 10 FECDHM COC(=O)c1cn(C2CCN(Cc3cc(Cl)ccc3[O-])CC2)nn1 ZINC000184758431 547875833 /nfs/dbraw/zinc/87/58/33/547875833.db2.gz 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353.375 2.020 20 10 FECDHM COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000278266053 550767046 /nfs/dbraw/zinc/76/70/46/550767046.db2.gz ITASTGOWQOYSMB-CJNGLKHVSA-N -1 3 371.861 2.094 20 10 FECDHM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278382456 550779435 /nfs/dbraw/zinc/77/94/35/550779435.db2.gz LXYPWWXJUVOSGW-OSMZGAPFSA-N -1 3 350.371 2.083 20 10 FECDHM COc1c([O-])c(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273725 552293537 /nfs/dbraw/zinc/29/35/37/552293537.db2.gz GNKWEHWKYXXUKY-WDEREUQCSA-N -1 3 364.320 2.302 20 10 FECDHM CS(=O)(=O)C[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000294067227 552879483 /nfs/dbraw/zinc/87/94/83/552879483.db2.gz YGAMESOCWCDYND-NSHDSACASA-N -1 3 362.289 2.411 20 10 FECDHM CCCN(C)C(=O)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000297938099 553359685 /nfs/dbraw/zinc/35/96/85/553359685.db2.gz SSKKCUVMFUKBKO-UHFFFAOYSA-N -1 3 357.248 2.372 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2nccs2)c1 ZINC000364239030 555276551 /nfs/dbraw/zinc/27/65/51/555276551.db2.gz OBZHEPXPZBBLOM-GFCCVEGCSA-N -1 3 367.452 2.198 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2nccs2)c1 ZINC000364239031 555276611 /nfs/dbraw/zinc/27/66/11/555276611.db2.gz OBZHEPXPZBBLOM-LBPRGKRZSA-N -1 3 367.452 2.198 20 10 FECDHM [O-]c1cc(OCc2ccccc2)ccc1CNCc1nnc2n1CCOC2 ZINC000365233927 555518134 /nfs/dbraw/zinc/51/81/34/555518134.db2.gz LBIZQJXCHGSIPN-UHFFFAOYSA-N -1 3 366.421 2.383 20 10 FECDHM O=S1(=O)CCN(Cc2cc3c(cc2[O-])OCO3)[C@H](c2ccccc2)C1 ZINC000370230723 556817021 /nfs/dbraw/zinc/81/70/21/556817021.db2.gz OHTNDGMRAOEWJD-HNNXBMFYSA-N -1 3 361.419 2.093 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CC[C@H](N3CCN(C(C)C)CC3)C2)c1[O-] ZINC000371183694 557100199 /nfs/dbraw/zinc/10/01/99/557100199.db2.gz FUFJQQJHYNECFH-SFHVURJKSA-N -1 3 363.477 2.334 20 10 FECDHM Cc1ccc(C(=O)NC[C@H]2CC(=O)N(CCc3ccccc3)C2)c([O-])c1O ZINC000371586359 557230828 /nfs/dbraw/zinc/23/08/28/557230828.db2.gz WZJQSFNGSHQCSS-MRXNPFEDSA-N -1 3 368.433 2.227 20 10 FECDHM O=C(CN(Cc1ccccc1[O-])C[C@H]1CCCO1)N1CCOC[C@@H]1C1CC1 ZINC000372319386 557438672 /nfs/dbraw/zinc/43/86/72/557438672.db2.gz SMBZIYMGVVPVLV-RTBURBONSA-N -1 3 374.481 2.011 20 10 FECDHM COc1ccc(O)c(CNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000737106598 598902499 /nfs/dbraw/zinc/90/24/99/598902499.db2.gz VQNLBVLHQPCTJF-UHFFFAOYSA-N -1 3 356.411 2.068 20 10 FECDHM COc1ccc(O)c(CNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000737106598 598902501 /nfs/dbraw/zinc/90/25/01/598902501.db2.gz VQNLBVLHQPCTJF-UHFFFAOYSA-N -1 3 356.411 2.068 20 10 FECDHM CCN(CCOC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736536541 598610109 /nfs/dbraw/zinc/61/01/09/598610109.db2.gz LGSMYXQPCWPEPR-UHFFFAOYSA-N -1 3 368.441 2.383 20 10 FECDHM C[C@@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(N2CCCCC2)cc1 ZINC000825484342 604769209 /nfs/dbraw/zinc/76/92/09/604769209.db2.gz GXHWKZTWYHLRKY-MRXNPFEDSA-N -1 3 374.485 2.150 20 10 FECDHM COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000833733904 605128040 /nfs/dbraw/zinc/12/80/40/605128040.db2.gz VDKUJXVBDLWLNU-STQMWFEESA-N -1 3 372.421 2.455 20 10 FECDHM O=C([O-])NCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000834226072 605489896 /nfs/dbraw/zinc/48/98/96/605489896.db2.gz ULPIVCORLHHOOX-UHFFFAOYSA-N -1 3 351.422 2.142 20 10 FECDHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C1=CC(=O)CS1 ZINC000826458074 609351669 /nfs/dbraw/zinc/35/16/69/609351669.db2.gz BGDBPFNLSAOBBK-UHFFFAOYSA-N -1 3 371.357 2.211 20 10 FECDHM Cc1ccc2[nH]c(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])nc2c1 ZINC000817017663 675093027 /nfs/dbraw/zinc/09/30/27/675093027.db2.gz YFEAKGONAZHEBF-UHFFFAOYSA-N -1 3 360.395 2.201 20 10 FECDHM Cc1ccc2nc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])[nH]c2c1 ZINC000817017663 675093029 /nfs/dbraw/zinc/09/30/29/675093029.db2.gz YFEAKGONAZHEBF-UHFFFAOYSA-N -1 3 360.395 2.201 20 10 FECDHM C[C@H]([C@H](C)N(C)Cc1cccc(Br)c1[O-])S(C)(=O)=O ZINC000093421117 670753095 /nfs/dbraw/zinc/75/30/95/670753095.db2.gz XXDJLLZLNAKBQE-VHSXEESVSA-N -1 3 350.278 2.408 20 10 FECDHM CN1CCC[C@H]1C(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093821177 670755646 /nfs/dbraw/zinc/75/56/46/670755646.db2.gz TVVFQRZKVNTRKI-HNNXBMFYSA-N -1 3 372.296 2.437 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000093899931 670755759 /nfs/dbraw/zinc/75/57/59/670755759.db2.gz PUEAUJKAECAPHG-UHFFFAOYSA-N -1 3 364.467 2.462 20 10 FECDHM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(O)c1[O-] ZINC000189004192 672605181 /nfs/dbraw/zinc/60/51/81/672605181.db2.gz RSWNVBIZGJYXQC-UHFFFAOYSA-N -1 3 350.321 2.477 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000194989504 672773078 /nfs/dbraw/zinc/77/30/78/672773078.db2.gz FEHVEDSPHXEVGB-DZGCQCFKSA-N -1 3 364.398 2.189 20 10 FECDHM Cn1cc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)cn1 ZINC000824808712 675622915 /nfs/dbraw/zinc/62/29/15/675622915.db2.gz MSZAJMSSZQZKEU-UHFFFAOYSA-N -1 3 351.248 2.210 20 10 FECDHM CN(C)C(=O)N[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000825278777 675644784 /nfs/dbraw/zinc/64/47/84/675644784.db2.gz IRWUQQYIVPFNFM-ZDUSSCGKSA-N -1 3 356.264 2.390 20 10 FECDHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000762574353 680754500 /nfs/dbraw/zinc/75/45/00/680754500.db2.gz XXOOYYIRCZBVAD-AAEUAGOBSA-N -1 3 350.415 2.473 20 10 FECDHM COc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)on1 ZINC000764258233 680804581 /nfs/dbraw/zinc/80/45/81/680804581.db2.gz WTMHCNYPIQOSOU-CYBMUJFWSA-N -1 3 365.817 2.437 20 10 FECDHM CS[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C ZINC000752875792 680264046 /nfs/dbraw/zinc/26/40/46/680264046.db2.gz KKBDOHJHRQXYNO-CYBMUJFWSA-N -1 3 360.501 2.271 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000753849604 680320259 /nfs/dbraw/zinc/32/02/59/680320259.db2.gz GUQRESWEVWMFOW-JKSUJKDBSA-N -1 3 355.431 2.276 20 10 FECDHM COC1CCC(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000756450912 680479810 /nfs/dbraw/zinc/47/98/10/680479810.db2.gz VTLRMVDSSYSQTD-UHFFFAOYSA-N -1 3 370.471 2.089 20 10 FECDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1[O-] ZINC000756776552 680497220 /nfs/dbraw/zinc/49/72/20/680497220.db2.gz PXSLEUSOVZYJPR-SDBXPKJASA-N -1 3 358.211 2.412 20 10 FECDHM CCc1cc(=O)[nH]c(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1 ZINC000758722701 680604040 /nfs/dbraw/zinc/60/40/40/680604040.db2.gz UOTXBYMHFWPSLI-UHFFFAOYSA-N -1 3 365.817 2.279 20 10 FECDHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)oc1C ZINC000773089776 681125299 /nfs/dbraw/zinc/12/52/99/681125299.db2.gz VPQNZOFXAPGBLP-NSHDSACASA-N -1 3 366.439 2.480 20 10 FECDHM C[C@H]1C[C@@H](NCc2cc(Cl)cc(F)c2[O-])C(=O)N1c1cnn(C)c1 ZINC000776224565 681374581 /nfs/dbraw/zinc/37/45/81/681374581.db2.gz UHEVORMSEJEIQE-LKFCYVNXSA-N -1 3 352.797 2.202 20 10 FECDHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000776748439 681433233 /nfs/dbraw/zinc/43/32/33/681433233.db2.gz ITZYGBOKKGYLTM-UHFFFAOYSA-N -1 3 351.380 2.053 20 10 FECDHM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cccnc3Cl)C2)cc1 ZINC000849416345 681722977 /nfs/dbraw/zinc/72/29/77/681722977.db2.gz PJQFFGQNINWOFG-LBPRGKRZSA-N -1 3 367.858 2.301 20 10 FECDHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1 ZINC000788479456 682532600 /nfs/dbraw/zinc/53/26/00/682532600.db2.gz ASGUCWFTDKPJRN-UHFFFAOYSA-N -1 3 361.467 2.390 20 10 FECDHM CC1(c2ccccc2)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000857355525 682882366 /nfs/dbraw/zinc/88/23/66/682882366.db2.gz ZJYVWXYJBKELPH-UHFFFAOYSA-N -1 3 360.435 2.177 20 10 FECDHM O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1cccc(O)c1[O-] ZINC000794257323 682950139 /nfs/dbraw/zinc/95/01/39/682950139.db2.gz AOPQSCOWGZBFLD-LLVKDONJSA-N -1 3 357.284 2.460 20 10 FECDHM O=C(NCc1c([O-])cccc1F)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000928713064 683492828 /nfs/dbraw/zinc/49/28/28/683492828.db2.gz ZRYFXBWBSJSRLR-MWLCHTKSSA-N -1 3 351.296 2.132 20 10 FECDHM CN(CC(=O)NCc1ccco1)Cc1c([O-])cccc1Br ZINC000862213298 683550817 /nfs/dbraw/zinc/55/08/17/683550817.db2.gz OTLICUYJHMOETE-UHFFFAOYSA-N -1 3 353.216 2.496 20 10 FECDHM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1c([O-])cccc1Br ZINC000862299593 683567613 /nfs/dbraw/zinc/56/76/13/683567613.db2.gz CCMJHTVPWIHFAK-GWCFXTLKSA-N -1 3 358.232 2.307 20 10 FECDHM CC[S@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000866753117 684145696 /nfs/dbraw/zinc/14/56/96/684145696.db2.gz JCRAMYBBBLRHGY-QHCPKHFHSA-N -1 3 373.544 2.375 20 10 FECDHM CN(C)S(=O)(=O)c1ccccc1CNCc1ccc(F)c(F)c1[O-] ZINC000876921959 686295951 /nfs/dbraw/zinc/29/59/51/686295951.db2.gz NXMGCOZJENIZLO-UHFFFAOYSA-N -1 3 356.394 2.211 20 10 FECDHM COc1ccccc1CCNC(=O)CNCc1ccc(F)c(F)c1[O-] ZINC000877496648 686392026 /nfs/dbraw/zinc/39/20/26/686392026.db2.gz VQOVHMDYTLKIJF-UHFFFAOYSA-N -1 3 350.365 2.128 20 10 FECDHM O=C1N=NCN1C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000894609046 689565113 /nfs/dbraw/zinc/56/51/13/689565113.db2.gz ICLVZHVEVRNFDU-UHFFFAOYSA-N -1 3 353.220 2.289 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000075212694 542159894 /nfs/dbraw/zinc/15/98/94/542159894.db2.gz DUHUGWDMIKZVQC-UHFFFAOYSA-N -1 3 366.361 2.178 20 10 FECDHM COc1ccc(N2CCN([C@H](C)C(=O)[N-]c3cc(C)no3)CC2)cc1F ZINC000084866808 542722095 /nfs/dbraw/zinc/72/20/95/542722095.db2.gz RGNXGMLWNQHJGK-CYBMUJFWSA-N -1 3 362.405 2.280 20 10 FECDHM CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000175715584 546338093 /nfs/dbraw/zinc/33/80/93/546338093.db2.gz WGMBYJZBLCKTCV-DLBZAZTESA-N -1 3 351.418 2.486 20 10 FECDHM CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000175715649 546339086 /nfs/dbraw/zinc/33/90/86/546339086.db2.gz WGMBYJZBLCKTCV-SJORKVTESA-N -1 3 351.418 2.486 20 10 FECDHM Cc1cc(Br)cc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1[O-] ZINC000180350572 547089023 /nfs/dbraw/zinc/08/90/23/547089023.db2.gz KMVZAASOAXIYDE-QWRGUYRKSA-N -1 3 362.289 2.471 20 10 FECDHM COC(=O)CN(Cc1ncnn1CC(C)C)Cc1cc(Cl)ccc1[O-] ZINC000182873815 547564857 /nfs/dbraw/zinc/56/48/57/547564857.db2.gz KGVALAHXQGIRJU-UHFFFAOYSA-N -1 3 366.849 2.468 20 10 FECDHM CN(CC(=O)N1CCOCC1)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182954719 547579009 /nfs/dbraw/zinc/57/90/09/547579009.db2.gz NZUZGOHMHIYLMV-UHFFFAOYSA-N -1 3 370.449 2.262 20 10 FECDHM C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H](C(N)=O)O1 ZINC000183125532 547606643 /nfs/dbraw/zinc/60/66/43/547606643.db2.gz CSCXFDUTGUKIOF-KUHUBIRLSA-N -1 3 356.422 2.046 20 10 FECDHM Cc1nc(CN2CCC(CNC(=O)c3cccc(O)c3[O-])CC2)oc1C ZINC000187087460 548251387 /nfs/dbraw/zinc/25/13/87/548251387.db2.gz HJBZXZQIPZZRQP-UHFFFAOYSA-N -1 3 359.426 2.345 20 10 FECDHM COc1cc(Br)cc(CN2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000187543122 548259693 /nfs/dbraw/zinc/25/96/93/548259693.db2.gz JACAQBBRTRBHJJ-HNNXBMFYSA-N -1 3 358.232 2.155 20 10 FECDHM Cc1cc(Br)cc(CN2CCS(=O)(=O)CC[C@@H]2C)c1[O-] ZINC000192052519 548356851 /nfs/dbraw/zinc/35/68/51/548356851.db2.gz WZCYQPDYGNPXDK-NSHDSACASA-N -1 3 362.289 2.472 20 10 FECDHM COc1cc(O)c(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1OC ZINC000271762189 550400315 /nfs/dbraw/zinc/40/03/15/550400315.db2.gz ZAABPBSJVQXICT-UHFFFAOYSA-N -1 3 372.421 2.073 20 10 FECDHM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)nc1 ZINC000274877429 550561962 /nfs/dbraw/zinc/56/19/62/550561962.db2.gz HEXDGYIFRCRQGL-ZDUSSCGKSA-N -1 3 355.394 2.292 20 10 FECDHM CC(C)OC(=O)[C@@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277143478 550636798 /nfs/dbraw/zinc/63/67/98/550636798.db2.gz CECIVTPPHWPBGD-NSHDSACASA-N -1 3 368.817 2.398 20 10 FECDHM COc1c([O-])c(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133794 550752864 /nfs/dbraw/zinc/75/28/64/550752864.db2.gz CPNMZIZBOLWZHY-QMTHXVAHSA-N -1 3 364.320 2.444 20 10 FECDHM CCOC(=O)C[C@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000278230109 550763222 /nfs/dbraw/zinc/76/32/22/550763222.db2.gz YDMGQTMOWXOZPM-NSHDSACASA-N -1 3 368.817 2.399 20 10 FECDHM COc1c([O-])c(CN2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278302433 550770964 /nfs/dbraw/zinc/77/09/64/550770964.db2.gz WAMPXWGLMIZDIL-LBPRGKRZSA-N -1 3 352.387 2.473 20 10 FECDHM COc1c([O-])c(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278522310 550795007 /nfs/dbraw/zinc/79/50/07/550795007.db2.gz SFQOCSNGBXIYKQ-CYBMUJFWSA-N -1 3 363.414 2.332 20 10 FECDHM COc1c([O-])c(CNc2cccnc2N2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000278554408 550798802 /nfs/dbraw/zinc/79/88/02/550798802.db2.gz ZPMUYIHAJIPIRE-UHFFFAOYSA-N -1 3 374.397 2.277 20 10 FECDHM COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000278766305 550819825 /nfs/dbraw/zinc/81/98/25/550819825.db2.gz UFSQSWCRMVYCLC-SWLSCSKDSA-N -1 3 374.275 2.001 20 10 FECDHM COc1cc(Cl)cc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1[O-] ZINC000278990663 550843954 /nfs/dbraw/zinc/84/39/54/550843954.db2.gz APXYTYRFDIKXLX-AWEZNQCLSA-N -1 3 374.890 2.054 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC000279352704 550880496 /nfs/dbraw/zinc/88/04/96/550880496.db2.gz SBJFVPBZDWABJQ-SNVBAGLBSA-N -1 3 360.439 2.333 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000291916983 552674550 /nfs/dbraw/zinc/67/45/50/552674550.db2.gz MWQJVOQBQGUQFU-OAHLLOKOSA-N -1 3 350.440 2.168 20 10 FECDHM C[C@@H](O)CNc1cc(NCc2cccc(Br)c2[O-])ncn1 ZINC000299025945 553505228 /nfs/dbraw/zinc/50/52/28/553505228.db2.gz SXFLDTJSDCYGGX-SECBINFHSA-N -1 3 353.220 2.350 20 10 FECDHM Cc1nc([C@H]2COCCN2Cc2cc(Br)ccc2[O-])no1 ZINC000359998410 554858788 /nfs/dbraw/zinc/85/87/88/554858788.db2.gz LWEVIFICCZVSCZ-GFCCVEGCSA-N -1 3 354.204 2.420 20 10 FECDHM COc1c([O-])c(CN2CCc3nn(C(C)C)c(=O)cc3C2)ccc1[N+](=O)[O-] ZINC000364762295 555395891 /nfs/dbraw/zinc/39/58/91/555395891.db2.gz ZAODZOQUWNSUQF-UHFFFAOYSA-N -1 3 374.397 2.005 20 10 FECDHM CCCOc1ccc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)c([O-])c1 ZINC000367433143 556047462 /nfs/dbraw/zinc/04/74/62/556047462.db2.gz UBVMSSWUVMJGDK-IBGZPJMESA-N -1 3 362.470 2.394 20 10 FECDHM O=C(Cc1cncnc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000368151801 556231199 /nfs/dbraw/zinc/23/11/99/556231199.db2.gz JVMLSHCGCZSQQJ-MRXNPFEDSA-N -1 3 360.845 2.159 20 10 FECDHM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000372283224 557429276 /nfs/dbraw/zinc/42/92/76/557429276.db2.gz RSAVAHKPCDZVPO-GJZGRUSLSA-N -1 3 353.390 2.276 20 10 FECDHM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(Br)ccc1[O-] ZINC000374896069 557947630 /nfs/dbraw/zinc/94/76/30/557947630.db2.gz KMPNVFULJMETIK-OLZOCXBDSA-N -1 3 358.232 2.307 20 10 FECDHM COC(=O)c1ccnc(N2CCCN(Cc3cccc(F)c3[O-])CC2)c1 ZINC000376828950 558226930 /nfs/dbraw/zinc/22/69/30/558226930.db2.gz RHWPTIGUSQCUED-UHFFFAOYSA-N -1 3 359.401 2.425 20 10 FECDHM Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3cccc(O)c3[O-])CC2)o1 ZINC000527588307 562296527 /nfs/dbraw/zinc/29/65/27/562296527.db2.gz ZDSVFOQGXQFPNP-UHFFFAOYSA-N -1 3 358.394 2.342 20 10 FECDHM Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCc1cc(Cl)ccc1[O-] ZINC000528430899 562329067 /nfs/dbraw/zinc/32/90/67/562329067.db2.gz YAZNCLRHVLQPPZ-UHFFFAOYSA-N -1 3 369.752 2.276 20 10 FECDHM Cc1cc(C(=O)N2CCSCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234274 598610433 /nfs/dbraw/zinc/61/04/33/598610433.db2.gz OBEKIZCHOYAFLS-UHFFFAOYSA-N -1 3 368.466 2.463 20 10 FECDHM COc1ccc(C=C2SC(=S)N(C3CC3)C2=O)cc1-c1nnn[n-]1 ZINC000821787565 599308691 /nfs/dbraw/zinc/30/86/91/599308691.db2.gz VITALTLEMXFUJL-GHXNOFRVSA-N -1 3 359.436 2.239 20 10 FECDHM COc1ccc(C=C2SC(=S)N(C3CC3)C2=O)cc1-c1nn[n-]n1 ZINC000821787565 599308693 /nfs/dbraw/zinc/30/86/93/599308693.db2.gz VITALTLEMXFUJL-GHXNOFRVSA-N -1 3 359.436 2.239 20 10 FECDHM CC[C@@H](O)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820932134 606941366 /nfs/dbraw/zinc/94/13/66/606941366.db2.gz LCPSAQYLPPXRJK-MRXNPFEDSA-N -1 3 368.441 2.165 20 10 FECDHM CCN(C(=O)C=Cc1cnccn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825368031 608344965 /nfs/dbraw/zinc/34/49/65/608344965.db2.gz ZLFYXKFXKRNADW-UTCJRWHESA-N -1 3 355.789 2.376 20 10 FECDHM CCN(C(=O)C=Cc1cnccn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825368031 608344967 /nfs/dbraw/zinc/34/49/67/608344967.db2.gz ZLFYXKFXKRNADW-UTCJRWHESA-N -1 3 355.789 2.376 20 10 FECDHM Fc1cc(CNc2cccc(-c3nnn[n-]3)c2)ccc1N1CCOCC1 ZINC000826372261 608869830 /nfs/dbraw/zinc/86/98/30/608869830.db2.gz OTVUJBGZJMIYKH-UHFFFAOYSA-N -1 3 354.389 2.455 20 10 FECDHM Fc1cc(CNc2cccc(-c3nn[n-]n3)c2)ccc1N1CCOCC1 ZINC000826372261 608869837 /nfs/dbraw/zinc/86/98/37/608869837.db2.gz OTVUJBGZJMIYKH-UHFFFAOYSA-N -1 3 354.389 2.455 20 10 FECDHM COC(=O)c1cn([C@@H]2CCCN(Cc3cc(Cl)c(F)cc3[O-])C2)nn1 ZINC000816570140 675065905 /nfs/dbraw/zinc/06/59/05/675065905.db2.gz KHANTBCVLKGSSS-LLVKDONJSA-N -1 3 368.796 2.400 20 10 FECDHM O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1cccc(O)c1[O-] ZINC000817043447 675094567 /nfs/dbraw/zinc/09/45/67/675094567.db2.gz JUAVZQZVIOHMRL-GFCCVEGCSA-N -1 3 370.174 2.463 20 10 FECDHM O=C(CNCc1cc(Br)cc(F)c1[O-])NCC(F)(F)F ZINC000715814981 673073641 /nfs/dbraw/zinc/07/36/41/673073641.db2.gz WEHDJVWVQRIGNY-UHFFFAOYSA-N -1 3 359.117 2.062 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2c(F)cc(F)cc2F)c1 ZINC000818521697 675222470 /nfs/dbraw/zinc/22/24/70/675222470.db2.gz RUKAIYHAZPOTKE-UHFFFAOYSA-N -1 3 374.340 2.111 20 10 FECDHM Cc1cc([O-])c(CN2CCN(c3ccc(C(N)=O)cn3)CC2)cc1Cl ZINC000824566956 675611056 /nfs/dbraw/zinc/61/10/56/675611056.db2.gz PWKLEKGBXQOQNB-UHFFFAOYSA-N -1 3 360.845 2.170 20 10 FECDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])[C@@H]2CCC[C@H]21 ZINC000825201801 675641414 /nfs/dbraw/zinc/64/14/14/675641414.db2.gz NYDGLQKKIJCESW-TZMCWYRMSA-N -1 3 360.273 2.306 20 10 FECDHM O=C(NC1CC1)N[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000761228971 680715880 /nfs/dbraw/zinc/71/58/80/680715880.db2.gz PNRRVXPQJNNFKW-LBPRGKRZSA-N -1 3 354.248 2.191 20 10 FECDHM COCc1noc(CN2CCN(Cc3c([O-])cc(C)cc3Cl)CC2)n1 ZINC000840939650 680855078 /nfs/dbraw/zinc/85/50/78/680855078.db2.gz OCSAVXZKZGQDBT-UHFFFAOYSA-N -1 3 366.849 2.201 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1[O-] ZINC000750044509 680097433 /nfs/dbraw/zinc/09/74/33/680097433.db2.gz YKDZCCNGQBDXHU-IAGOWNOFSA-N -1 3 352.862 2.279 20 10 FECDHM CC[C@@H](C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000769094441 680970784 /nfs/dbraw/zinc/97/07/84/680970784.db2.gz FRFGKDBROGDNSV-PRHODGIISA-N -1 3 368.377 2.471 20 10 FECDHM CCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccn1 ZINC000769765685 680994346 /nfs/dbraw/zinc/99/43/46/680994346.db2.gz NHQMEBQPFLIFGC-HNNXBMFYSA-N -1 3 363.439 2.430 20 10 FECDHM O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1cccc(O)c1[O-] ZINC000776645374 681421857 /nfs/dbraw/zinc/42/18/57/681421857.db2.gz NFSQVLHCSRDKCP-ZDUSSCGKSA-N -1 3 362.382 2.391 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CCc3nn(C)c(=O)cc3C2)c1 ZINC000781910343 681988055 /nfs/dbraw/zinc/98/80/55/681988055.db2.gz UNNBSNLXCVZRDX-UHFFFAOYSA-N -1 3 364.243 2.115 20 10 FECDHM CS(=O)(=O)[C@@H]1CN(Cc2c([O-])ccc3ccncc32)C[C@H]1C(F)(F)F ZINC000853530409 682428412 /nfs/dbraw/zinc/42/84/12/682428412.db2.gz JZFVRHCHOHOKHQ-UKRRQHHQSA-N -1 3 374.384 2.348 20 10 FECDHM CNS(=O)(=O)c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790954410 682715623 /nfs/dbraw/zinc/71/56/23/682715623.db2.gz QSVHBAVFFCPWDA-UHFFFAOYSA-N -1 3 358.822 2.383 20 10 FECDHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000792532601 682818973 /nfs/dbraw/zinc/81/89/73/682818973.db2.gz GBEOIJFZRANWFY-GZMMTYOYSA-N -1 3 366.361 2.177 20 10 FECDHM COC(=O)CN(Cc1cnc(OC)nc1C)Cc1cc(Cl)ccc1[O-] ZINC000799136335 683426199 /nfs/dbraw/zinc/42/61/99/683426199.db2.gz LFULDYROYNWELH-UHFFFAOYSA-N -1 3 365.817 2.328 20 10 FECDHM CC(C)(C)n1cc(CNCc2c([O-])ccc(Cl)c2F)c(=O)[nH]c1=O ZINC000922496535 683735749 /nfs/dbraw/zinc/73/57/49/683735749.db2.gz IRRVZDMTVWITHR-UHFFFAOYSA-N -1 3 355.797 2.492 20 10 FECDHM O=S1(=O)C[C@@H]2CCN(Cc3ccc(Br)cc3[O-])C[C@H]2C1 ZINC000877791487 686462216 /nfs/dbraw/zinc/46/22/16/686462216.db2.gz QNBZLYTXDJNLMY-RYUDHWBXSA-N -1 3 360.273 2.021 20 10 FECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000893699569 689388648 /nfs/dbraw/zinc/38/86/48/689388648.db2.gz OXMJHZPEUBIANC-CVEARBPZSA-N -1 3 367.877 2.488 20 10 FECDHM COc1c([O-])c(CN2CCC(CO)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000897037543 689966138 /nfs/dbraw/zinc/96/61/38/689966138.db2.gz QQLGMQVXSXWYTK-UHFFFAOYSA-N -1 3 364.320 2.446 20 10 FECDHM O=S(=O)(C1CCN(Cc2cc(F)cc(F)c2[O-])CC1)N1CCCCC1 ZINC000897272111 689998630 /nfs/dbraw/zinc/99/86/30/689998630.db2.gz XGXGRUQGAYFVJC-UHFFFAOYSA-N -1 3 374.453 2.451 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC(NC(=O)c3ccc[nH]3)CC2)c1[O-] ZINC000079409907 542516891 /nfs/dbraw/zinc/51/68/91/542516891.db2.gz GTTFPMPMASRRKG-UHFFFAOYSA-N -1 3 359.401 2.456 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC([C@H](O)c3nccn3C)CC2)c1[O-] ZINC000089924971 542773649 /nfs/dbraw/zinc/77/36/49/542773649.db2.gz ZZWGSJITXJYMEK-SFHVURJKSA-N -1 3 361.417 2.413 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC([C@@H](O)c3nccn3C)CC2)c1[O-] ZINC000089924972 542773668 /nfs/dbraw/zinc/77/36/68/542773668.db2.gz ZZWGSJITXJYMEK-GOSISDBHSA-N -1 3 361.417 2.413 20 10 FECDHM Cc1n[nH]c(C)c1NC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000123491922 543764881 /nfs/dbraw/zinc/76/48/81/543764881.db2.gz RMWZCORGJRMXAD-INIZCTEOSA-N -1 3 358.442 2.352 20 10 FECDHM Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)c([O-])c1O ZINC000181854587 547392399 /nfs/dbraw/zinc/39/23/99/547392399.db2.gz UQIBRCARZNVDFX-UHFFFAOYSA-N -1 3 354.406 2.459 20 10 FECDHM COc1cc(Cl)cc(CN2CCCC[C@H]2C(=O)N2CCOCC2)c1[O-] ZINC000184688010 547865537 /nfs/dbraw/zinc/86/55/37/547865537.db2.gz HRWMWRHOKYPGMG-HNNXBMFYSA-N -1 3 368.861 2.268 20 10 FECDHM O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1cccc(O)c1[O-] ZINC000186933126 548222068 /nfs/dbraw/zinc/22/20/68/548222068.db2.gz FAFJWTCOKFNJAC-UHFFFAOYSA-N -1 3 358.369 2.272 20 10 FECDHM COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000267427163 550031813 /nfs/dbraw/zinc/03/18/13/550031813.db2.gz BOUOPBXQBMAKJH-OCCSQVGLSA-N -1 3 366.433 2.097 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)N1CCCC1 ZINC000269865924 550231980 /nfs/dbraw/zinc/23/19/80/550231980.db2.gz SSSWWEORGAUNFZ-UHFFFAOYSA-N -1 3 363.277 2.317 20 10 FECDHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271393817 550372088 /nfs/dbraw/zinc/37/20/88/550372088.db2.gz MKVZYOYEEUTQLU-HNNXBMFYSA-N -1 3 363.439 2.382 20 10 FECDHM COCCOc1ncccc1CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273402604 550497366 /nfs/dbraw/zinc/49/73/66/550497366.db2.gz NOOXCTDYRZEGRQ-CYBMUJFWSA-N -1 3 360.410 2.450 20 10 FECDHM COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000278266059 550767123 /nfs/dbraw/zinc/76/71/23/550767123.db2.gz ITASTGOWQOYSMB-XJKSGUPXSA-N -1 3 371.861 2.094 20 10 FECDHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278382453 550779367 /nfs/dbraw/zinc/77/93/67/550779367.db2.gz LXYPWWXJUVOSGW-JKOKRWQUSA-N -1 3 350.371 2.083 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1c(C)noc1C ZINC000285701839 551797560 /nfs/dbraw/zinc/79/75/60/551797560.db2.gz RFVPGZQVVVEVGB-UHFFFAOYSA-N -1 3 352.774 2.466 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1[O-] ZINC000298176847 553394185 /nfs/dbraw/zinc/39/41/85/553394185.db2.gz UZTRKQSTWTUEQR-UHFFFAOYSA-N -1 3 374.372 2.359 20 10 FECDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000366027938 555731141 /nfs/dbraw/zinc/73/11/41/555731141.db2.gz VGBHSNBEIGQEQZ-GFCCVEGCSA-N -1 3 367.810 2.352 20 10 FECDHM CCOC(=O)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000367176127 556003081 /nfs/dbraw/zinc/00/30/81/556003081.db2.gz GUNFFHDVESWYBW-CQSZACIVSA-N -1 3 354.834 2.079 20 10 FECDHM O=C(Cc1cncnc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000368151800 556231066 /nfs/dbraw/zinc/23/10/66/556231066.db2.gz JVMLSHCGCZSQQJ-INIZCTEOSA-N -1 3 360.845 2.159 20 10 FECDHM CCCOc1ccc(CN2CCOC[C@@H]2c2noc(COC)n2)c([O-])c1 ZINC000374803489 557933895 /nfs/dbraw/zinc/93/38/95/557933895.db2.gz VFOPBEWZGRUZJP-OAHLLOKOSA-N -1 3 363.414 2.284 20 10 FECDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1C(=O)N1CCOCC1 ZINC000375518732 558041981 /nfs/dbraw/zinc/04/19/81/558041981.db2.gz KHUKVDBQEMIESD-VXGBXAGGSA-N -1 3 356.825 2.111 20 10 FECDHM COc1c([O-])c(CN2C[C@@H](C)NC(=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000378120482 558485633 /nfs/dbraw/zinc/48/56/33/558485633.db2.gz HYGWVOUVCFIHAZ-LLVKDONJSA-N -1 3 357.366 2.448 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC=C(c3ccccc3)C2)c1 ZINC000378608272 558593099 /nfs/dbraw/zinc/59/30/99/558593099.db2.gz HTJCZHBZJQIPRG-UHFFFAOYSA-N -1 3 358.419 2.303 20 10 FECDHM CNC(=O)NC[C@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000530104845 562398467 /nfs/dbraw/zinc/39/84/67/562398467.db2.gz PXXUTUNMZVNXAI-ZDUSSCGKSA-N -1 3 373.453 2.147 20 10 FECDHM COc1ccc(C=C2SC(N3CCCCC3)=NC2=O)cc1-c1nnn[n-]1 ZINC000737082134 599153733 /nfs/dbraw/zinc/15/37/33/599153733.db2.gz IHXPKENHOGFCKA-UVTDQMKNSA-N -1 3 370.438 2.332 20 10 FECDHM COc1ccc(C=C2SC(N3CCCCC3)=NC2=O)cc1-c1nn[n-]n1 ZINC000737082134 599153736 /nfs/dbraw/zinc/15/37/36/599153736.db2.gz IHXPKENHOGFCKA-UVTDQMKNSA-N -1 3 370.438 2.332 20 10 FECDHM CN(C)c1ccc(CN(C)C(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736819044 598415551 /nfs/dbraw/zinc/41/55/51/598415551.db2.gz GDXQTGFXHPKDSL-UHFFFAOYSA-N -1 3 365.441 2.003 20 10 FECDHM COC[C@H](C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736968015 598611454 /nfs/dbraw/zinc/61/14/54/598611454.db2.gz CYBKZDDWPVDRKX-GFCCVEGCSA-N -1 3 368.441 2.287 20 10 FECDHM Cc1cc(C(=O)N[C@@H](C)C(C)(C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167161 606027451 /nfs/dbraw/zinc/02/74/51/606027451.db2.gz BHWWBICBWYNBOZ-ZDUSSCGKSA-N -1 3 368.441 2.163 20 10 FECDHM O=C(NCCCSc1nccs1)c1cc(-c2nnn[n-]2)cs1 ZINC000823198036 606572451 /nfs/dbraw/zinc/57/24/51/606572451.db2.gz XKUYOXZUIFXOHV-UHFFFAOYSA-N -1 3 352.470 2.297 20 10 FECDHM O=C(NCCCSc1nccs1)c1cc(-c2nn[n-]n2)cs1 ZINC000823198036 606572452 /nfs/dbraw/zinc/57/24/52/606572452.db2.gz XKUYOXZUIFXOHV-UHFFFAOYSA-N -1 3 352.470 2.297 20 10 FECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826482052 607916251 /nfs/dbraw/zinc/91/62/51/607916251.db2.gz QKCZILKKCNEERI-UKTHLTGXSA-N -1 3 358.402 2.462 20 10 FECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826482052 607916252 /nfs/dbraw/zinc/91/62/52/607916252.db2.gz QKCZILKKCNEERI-UKTHLTGXSA-N -1 3 358.402 2.462 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826210549 608074655 /nfs/dbraw/zinc/07/46/55/608074655.db2.gz VYOJLNXJATXIOC-PMDBQALLSA-N -1 3 365.393 2.472 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826210549 608074656 /nfs/dbraw/zinc/07/46/56/608074656.db2.gz VYOJLNXJATXIOC-PMDBQALLSA-N -1 3 365.393 2.472 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825879366 608418568 /nfs/dbraw/zinc/41/85/68/608418568.db2.gz LQFASMZHYXHKTE-UHFFFAOYSA-N -1 3 354.389 2.471 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825879366 608418569 /nfs/dbraw/zinc/41/85/69/608418569.db2.gz LQFASMZHYXHKTE-UHFFFAOYSA-N -1 3 354.389 2.471 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC23CCSCC3)c1 ZINC000817620768 675154457 /nfs/dbraw/zinc/15/44/57/675154457.db2.gz JZAUSDMIIASBDN-NSHDSACASA-N -1 3 370.496 2.027 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCc3sccc3C2)c1 ZINC000730591829 673284708 /nfs/dbraw/zinc/28/47/08/673284708.db2.gz NLTFYWBPTBAWEL-UHFFFAOYSA-N -1 3 366.464 2.414 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000831915603 680060894 /nfs/dbraw/zinc/06/08/94/680060894.db2.gz ODSBWYKWHZWWBL-QGZVFWFLSA-N -1 3 355.431 2.135 20 10 FECDHM CCn1nc2c(cc1=O)CN(Cc1cccc(Br)c1[O-])CC2 ZINC000769512870 680985601 /nfs/dbraw/zinc/98/56/01/680985601.db2.gz UVAVSAPBGREKDA-UHFFFAOYSA-N -1 3 364.243 2.290 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2cccnc2)C2CC2)c1 ZINC000770134880 681006893 /nfs/dbraw/zinc/00/68/93/681006893.db2.gz WAPWOVHFTCPLBU-INIZCTEOSA-N -1 3 361.423 2.040 20 10 FECDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000851844189 682159142 /nfs/dbraw/zinc/15/91/42/682159142.db2.gz RQOAMFWHOUEXSC-UHFFFAOYSA-N -1 3 350.440 2.028 20 10 FECDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)C1(F)F ZINC000862437445 683591646 /nfs/dbraw/zinc/59/16/46/683591646.db2.gz FTUHAFXAQLEYTK-AOOOYVTPSA-N -1 3 362.398 2.127 20 10 FECDHM CC(C)(C)OC(=O)NC/C=C\CNC(=O)NCc1c([O-])cccc1F ZINC000922512947 683738775 /nfs/dbraw/zinc/73/87/75/683738775.db2.gz LIIAYBTZTVXXTM-PLNGDYQASA-N -1 3 353.394 2.411 20 10 FECDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2occc2C(=O)OC)cc1 ZINC000866537665 684116887 /nfs/dbraw/zinc/11/68/87/684116887.db2.gz IADZIFRJJBEETP-UHFFFAOYSA-N -1 3 366.439 2.391 20 10 FECDHM C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1c([O-])cccc1F ZINC000886598783 688281769 /nfs/dbraw/zinc/28/17/69/688281769.db2.gz JZSZHENDEXEUCH-GFCCVEGCSA-N -1 3 353.415 2.148 20 10 FECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000893699570 689388447 /nfs/dbraw/zinc/38/84/47/689388447.db2.gz OXMJHZPEUBIANC-HOTGVXAUSA-N -1 3 367.877 2.488 20 10 FECDHM O=C1NC2(CO1)CCN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC000894446613 689533245 /nfs/dbraw/zinc/53/32/45/689533245.db2.gz WRSJTLFLXDRWSN-UHFFFAOYSA-N -1 3 359.195 2.368 20 10 FECDHM Cn1nccc1[C@@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000897561348 690039859 /nfs/dbraw/zinc/03/98/59/690039859.db2.gz CBWXWHNACGEXAQ-HNNXBMFYSA-N -1 3 352.232 2.462 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCOC2CCCCC2)c1 ZINC000055157897 540632179 /nfs/dbraw/zinc/63/21/79/540632179.db2.gz ZTQOVKFQFYCAAX-UHFFFAOYSA-N -1 3 370.471 2.233 20 10 FECDHM CCCN(CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1ccccc1[O-] ZINC000068973610 541645948 /nfs/dbraw/zinc/64/59/48/541645948.db2.gz PJXDTOLICWTWMD-HXUWFJFHSA-N -1 3 369.465 2.208 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCc3occc32)c1 ZINC000097374000 209179591 /nfs/dbraw/zinc/17/95/91/209179591.db2.gz PVJOETZOFCGERB-CYBMUJFWSA-N -1 3 350.396 2.164 20 10 FECDHM CCCOc1ccc(CN2CCN(Cc3noc(CC)n3)CC2)c([O-])c1 ZINC000093283929 542923765 /nfs/dbraw/zinc/92/37/65/542923765.db2.gz KSMADYZDQZALKZ-UHFFFAOYSA-N -1 3 360.458 2.444 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCN(C[C@@H]3CCOC3)CC2)c1[O-] ZINC000093817549 542942265 /nfs/dbraw/zinc/94/22/65/542942265.db2.gz JKFITRLHUMGWMA-LBPRGKRZSA-N -1 3 355.822 2.108 20 10 FECDHM C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(C)Cc1ccccc1[O-] ZINC000111235249 543388685 /nfs/dbraw/zinc/38/86/85/543388685.db2.gz PBZQMDZZIPGZFQ-GOEBONIOSA-N -1 3 356.422 2.169 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000124195159 543806003 /nfs/dbraw/zinc/80/60/03/543806003.db2.gz NDWAVYQQCNDDRF-CQSZACIVSA-N -1 3 360.435 2.393 20 10 FECDHM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c([O-])cccc1O ZINC000125700243 543896997 /nfs/dbraw/zinc/89/69/97/543896997.db2.gz MVFYDUHXTDMAAE-UHFFFAOYSA-N -1 3 360.385 2.128 20 10 FECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc[n+]([O-])c1 ZINC000134262860 544300340 /nfs/dbraw/zinc/30/03/40/544300340.db2.gz CWEKGIBOTDVANF-MRXNPFEDSA-N -1 3 361.829 2.073 20 10 FECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc[n+]([O-])c1 ZINC000134262881 544300438 /nfs/dbraw/zinc/30/04/38/544300438.db2.gz CWEKGIBOTDVANF-INIZCTEOSA-N -1 3 361.829 2.073 20 10 FECDHM COc1ccccc1CN1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182323292 547473374 /nfs/dbraw/zinc/47/33/74/547473374.db2.gz RPUPCJMWTIBHMB-UHFFFAOYSA-N -1 3 356.422 2.373 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(Cn3cncn3)CC2)c1[O-] ZINC000189973464 548315171 /nfs/dbraw/zinc/31/51/71/548315171.db2.gz CYAWVCHYPHWQSM-UHFFFAOYSA-N -1 3 351.794 2.458 20 10 FECDHM Cc1cc(Br)cc(CN2CC[C@@H](C)S(=O)(=O)CC2)c1[O-] ZINC000192046454 548357194 /nfs/dbraw/zinc/35/71/94/548357194.db2.gz DXSGQRZQAWYWGW-LLVKDONJSA-N -1 3 362.289 2.472 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCN(C[C@H]3CCOC3)CC2)c1[O-] ZINC000267366026 550030492 /nfs/dbraw/zinc/03/04/92/550030492.db2.gz JHLZPOMUYHRUIC-CQSZACIVSA-N -1 3 352.862 2.402 20 10 FECDHM CCCOc1ccc(CN(CCCOC)[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000271040483 550334172 /nfs/dbraw/zinc/33/41/72/550334172.db2.gz NTSSZQGUTSEISN-INIZCTEOSA-N -1 3 371.499 2.207 20 10 FECDHM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000271468541 550377957 /nfs/dbraw/zinc/37/79/57/550377957.db2.gz ZWFRXRNPEFPUGN-PBHICJAKSA-N -1 3 370.471 2.039 20 10 FECDHM Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)c([O-])c1O ZINC000272795205 550471540 /nfs/dbraw/zinc/47/15/40/550471540.db2.gz XPVQNVGDOJZYFO-NSHDSACASA-N -1 3 372.385 2.092 20 10 FECDHM C[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273304121 550493762 /nfs/dbraw/zinc/49/37/62/550493762.db2.gz CJEXGSIBTLFYPK-CQSZACIVSA-N -1 3 371.441 2.298 20 10 FECDHM C[C@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273435945 550498581 /nfs/dbraw/zinc/49/85/81/550498581.db2.gz MCDHOUVNAZLWMT-XPTSAGLGSA-N -1 3 374.319 2.135 20 10 FECDHM C[C@H](NC[C@](O)(c1nccn1C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273435945 550498582 /nfs/dbraw/zinc/49/85/82/550498582.db2.gz MCDHOUVNAZLWMT-XPTSAGLGSA-N -1 3 374.319 2.135 20 10 FECDHM CN(C)c1ccc(CN[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000277419968 550668488 /nfs/dbraw/zinc/66/84/88/550668488.db2.gz SVMZHZAOCHWXTC-ZDUSSCGKSA-N -1 3 356.348 2.211 20 10 FECDHM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])N(C)C1CC1 ZINC000277654026 550697012 /nfs/dbraw/zinc/69/70/12/550697012.db2.gz YOQMTQOYHADDLL-JTQLQIEISA-N -1 3 356.264 2.437 20 10 FECDHM COc1c([O-])c(CN2CCC(NC(=O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278145923 550754324 /nfs/dbraw/zinc/75/43/24/550754324.db2.gz BRAJQIVLGYUCAE-UHFFFAOYSA-N -1 3 351.403 2.046 20 10 FECDHM CN1CCN(C(=O)C2CCN(Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000289766867 552375259 /nfs/dbraw/zinc/37/52/59/552375259.db2.gz KHJUUMWTYHWEMK-UHFFFAOYSA-N -1 3 351.878 2.032 20 10 FECDHM CCCCN(Cc1nccn1S(=O)(=O)N(C)C)Cc1ccccc1[O-] ZINC000291609208 552642994 /nfs/dbraw/zinc/64/29/94/552642994.db2.gz QXHGYWMZOXOVPS-UHFFFAOYSA-N -1 3 366.487 2.046 20 10 FECDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCC(F)(F)CC1 ZINC000291742495 552656904 /nfs/dbraw/zinc/65/69/04/552656904.db2.gz PCKAFNOCIFTZAE-UHFFFAOYSA-N -1 3 362.398 2.414 20 10 FECDHM Cc1ccc(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)c([O-])c1O ZINC000365007656 555462903 /nfs/dbraw/zinc/46/29/03/555462903.db2.gz AYSJSBLRGQIMGW-MRXNPFEDSA-N -1 3 355.438 2.443 20 10 FECDHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc2O1 ZINC000367587099 556090530 /nfs/dbraw/zinc/09/05/30/556090530.db2.gz HRTSVIYZNZEAIY-INIZCTEOSA-N -1 3 363.391 2.060 20 10 FECDHM CNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000370168543 556800261 /nfs/dbraw/zinc/80/02/61/556800261.db2.gz FNGDEVBDJYXZKS-GOSISDBHSA-N -1 3 356.397 2.407 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1[O-] ZINC000371183693 557099856 /nfs/dbraw/zinc/09/98/56/557099856.db2.gz FUFJQQJHYNECFH-GOSISDBHSA-N -1 3 363.477 2.334 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(=O)N2CCSCC2)c1[O-] ZINC000371886153 557319693 /nfs/dbraw/zinc/31/96/93/557319693.db2.gz PJRSQILLFTWGEH-INIZCTEOSA-N -1 3 366.458 2.274 20 10 FECDHM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000372283223 557429241 /nfs/dbraw/zinc/42/92/41/557429241.db2.gz RSAVAHKPCDZVPO-CABCVRRESA-N -1 3 353.390 2.276 20 10 FECDHM O=C1[C@@H]2CN(Cc3cccc(F)c3[O-])CCN2C(=O)N1c1ccccc1 ZINC000374698656 557918390 /nfs/dbraw/zinc/91/83/90/557918390.db2.gz REDSSKDHNLVIPM-INIZCTEOSA-N -1 3 355.369 2.184 20 10 FECDHM CCc1nc(CN2CCC[C@@H](N(C)C(=O)c3ccc(C)c(O)c3[O-])C2)no1 ZINC000374754643 557925946 /nfs/dbraw/zinc/92/59/46/557925946.db2.gz OIPIEEARMFFEIM-CYBMUJFWSA-N -1 3 374.441 2.088 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(F)(c3ccccc3)C2)c1 ZINC000376266347 558149718 /nfs/dbraw/zinc/14/97/18/558149718.db2.gz QJKHHSGZFDYOLK-UHFFFAOYSA-N -1 3 364.398 2.085 20 10 FECDHM COc1ccc(C=C2SC(N3CCCCC3)=NC2=O)cc1-c1nnn[n-]1 ZINC000737082132 599153624 /nfs/dbraw/zinc/15/36/24/599153624.db2.gz IHXPKENHOGFCKA-GXDHUFHOSA-N -1 3 370.438 2.332 20 10 FECDHM COc1ccc(C=C2SC(N3CCCCC3)=NC2=O)cc1-c1nn[n-]n1 ZINC000737082132 599153627 /nfs/dbraw/zinc/15/36/27/599153627.db2.gz IHXPKENHOGFCKA-GXDHUFHOSA-N -1 3 370.438 2.332 20 10 FECDHM Cc1cc(C(=O)N(C)[C@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226464 598403430 /nfs/dbraw/zinc/40/34/30/598403430.db2.gz ADTKMAPKTUKUFF-INIZCTEOSA-N -1 3 366.425 2.135 20 10 FECDHM COCC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736980126 598611538 /nfs/dbraw/zinc/61/15/38/598611538.db2.gz WCSAKHPEIJECRM-LBPRGKRZSA-N -1 3 368.441 2.429 20 10 FECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000826401277 607465105 /nfs/dbraw/zinc/46/51/05/607465105.db2.gz ULCFBKXHJVERRJ-QHHAFSJGSA-N -1 3 356.313 2.174 20 10 FECDHM COc1cc(Br)cc(C[NH2+]C2(CC(=O)[O-])CCOCC2)c1[O-] ZINC000831861256 601561127 /nfs/dbraw/zinc/56/11/27/601561127.db2.gz RPTJJHBINUYQCH-UHFFFAOYSA-N -1 3 374.231 2.277 20 10 FECDHM COc1ccc(N2CCN(CC3CCN(C(=O)[O-])CC3)CC2)cc1F ZINC000829424335 603968127 /nfs/dbraw/zinc/96/81/27/603968127.db2.gz NRECNBSOLJKBDD-UHFFFAOYSA-N -1 3 351.422 2.346 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1F ZINC000825418119 607733603 /nfs/dbraw/zinc/73/36/03/607733603.db2.gz XIXOOFYOJMJOEJ-UHFFFAOYSA-N -1 3 357.393 2.110 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1F ZINC000825418119 607733604 /nfs/dbraw/zinc/73/36/04/607733604.db2.gz XIXOOFYOJMJOEJ-UHFFFAOYSA-N -1 3 357.393 2.110 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822205892 606679822 /nfs/dbraw/zinc/67/98/22/606679822.db2.gz MNDZQMKHWJSIQC-UHFFFAOYSA-N -1 3 372.379 2.449 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822205892 606679823 /nfs/dbraw/zinc/67/98/23/606679823.db2.gz MNDZQMKHWJSIQC-UHFFFAOYSA-N -1 3 372.379 2.449 20 10 FECDHM CCN(C(=O)C=Cc1cnn(C)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367720 608343762 /nfs/dbraw/zinc/34/37/62/608343762.db2.gz VBGUTYRVKQHMGZ-DAXSKMNVSA-N -1 3 357.805 2.320 20 10 FECDHM CCN(C(=O)C=Cc1cnn(C)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367720 608343764 /nfs/dbraw/zinc/34/37/64/608343764.db2.gz VBGUTYRVKQHMGZ-DAXSKMNVSA-N -1 3 357.805 2.320 20 10 FECDHM Cc1cc(C(=O)NC(C)(C)[C@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258220 609416931 /nfs/dbraw/zinc/41/69/31/609416931.db2.gz DTBKSCWWQZDOLV-ZDUSSCGKSA-N -1 3 368.441 2.163 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000055658542 670353539 /nfs/dbraw/zinc/35/35/39/670353539.db2.gz ODWDMAQDEBDRRT-OAHLLOKOSA-N -1 3 364.398 2.320 20 10 FECDHM C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)NCc1ccco1 ZINC000111399225 670858476 /nfs/dbraw/zinc/85/84/76/670858476.db2.gz KVILZNGVGSKKCK-SECBINFHSA-N -1 3 353.762 2.341 20 10 FECDHM Cc1cccc2c1CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2 ZINC000170923834 672327494 /nfs/dbraw/zinc/32/74/94/672327494.db2.gz KNBLRYYWKPEXLF-UHFFFAOYSA-N -1 3 360.435 2.271 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(C3=NC[C@H](C)S3)CC2)c1[O-] ZINC000175802064 672370813 /nfs/dbraw/zinc/37/08/13/672370813.db2.gz HGLRQZQPCZWVMM-NSHDSACASA-N -1 3 351.447 2.343 20 10 FECDHM CCOC(=O)[C@@H]1CN(Cc2cccc(Br)c2[O-])CC12COC2 ZINC000824489248 675605822 /nfs/dbraw/zinc/60/58/22/675605822.db2.gz IAEMKOBTLBXMSK-LBPRGKRZSA-N -1 3 370.243 2.166 20 10 FECDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(F)F ZINC000825842921 675670967 /nfs/dbraw/zinc/67/09/67/675670967.db2.gz YJIPDZXDUZJBBF-UHFFFAOYSA-N -1 3 350.387 2.175 20 10 FECDHM COC(=O)CN(Cc1nc(C)cc(=O)[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000761875844 680733512 /nfs/dbraw/zinc/73/35/12/680733512.db2.gz YESSNIVQWPJDEN-UHFFFAOYSA-N -1 3 351.790 2.025 20 10 FECDHM Cc1ccc(C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)c([O-])c1O ZINC000751534367 680185898 /nfs/dbraw/zinc/18/58/98/680185898.db2.gz FWJFNSDIUGZTBW-UHFFFAOYSA-N -1 3 350.396 2.338 20 10 FECDHM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCc2n[nH]nc21 ZINC000834476213 680232082 /nfs/dbraw/zinc/23/20/82/680232082.db2.gz RKGFZGARJRRTHB-VIFPVBQESA-N -1 3 351.204 2.009 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(F)(C3CC3)CC2)c1 ZINC000834576802 680243583 /nfs/dbraw/zinc/24/35/83/680243583.db2.gz CRMPLAAKFLJKBN-UHFFFAOYSA-N -1 3 356.419 2.118 20 10 FECDHM CCOC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCCOC1 ZINC000754265200 680346707 /nfs/dbraw/zinc/34/67/07/680346707.db2.gz WPOYRDPYVIXXOE-BLLLJJGKSA-N -1 3 353.390 2.182 20 10 FECDHM CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756447751 680479541 /nfs/dbraw/zinc/47/95/41/680479541.db2.gz YGVYXFFWWWNVGD-JTQLQIEISA-N -1 3 356.394 2.429 20 10 FECDHM [O-]c1c(Br)cccc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000768192038 680940160 /nfs/dbraw/zinc/94/01/60/680940160.db2.gz MTOGTOUZTPGYJZ-AWEZNQCLSA-N -1 3 355.276 2.451 20 10 FECDHM COc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000768263722 680942384 /nfs/dbraw/zinc/94/23/84/680942384.db2.gz GRRRTDKHKMHOOO-UHFFFAOYSA-N -1 3 364.423 2.011 20 10 FECDHM O=C(NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1cccc(O)c1[O-] ZINC000768334564 680944331 /nfs/dbraw/zinc/94/43/31/680944331.db2.gz HYZNNHXEAZAJGU-SNVBAGLBSA-N -1 3 355.312 2.096 20 10 FECDHM CC(C)(C)OC(=O)CN(C(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC000843909747 681025225 /nfs/dbraw/zinc/02/52/25/681025225.db2.gz OFNPOEPOVPJMLE-UHFFFAOYSA-N -1 3 351.399 2.061 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CC3CCC2CC3)c1 ZINC000843958088 681028558 /nfs/dbraw/zinc/02/85/58/681028558.db2.gz LRKIIALFTDZVFD-BPCQOVAHSA-N -1 3 352.456 2.320 20 10 FECDHM CCc1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000775390140 681303421 /nfs/dbraw/zinc/30/34/21/681303421.db2.gz FAPZDLFNRJGJOK-ZDUSSCGKSA-N -1 3 364.833 2.385 20 10 FECDHM Cc1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)ccc1O ZINC000776748100 681433171 /nfs/dbraw/zinc/43/31/71/681433171.db2.gz WZCCBZTXCHZEBH-UHFFFAOYSA-N -1 3 355.437 2.046 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCC(CN3CCNC3=O)CC2)c1[O-] ZINC000933583965 681436942 /nfs/dbraw/zinc/43/69/42/681436942.db2.gz APCAYMBRWLSVCX-UHFFFAOYSA-N -1 3 365.861 2.485 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(O)cc1[O-] ZINC000781013069 681895445 /nfs/dbraw/zinc/89/54/45/681895445.db2.gz KTGATNHXMXTTQO-UHFFFAOYSA-N -1 3 365.769 2.272 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2Cc3cccc(F)c3C2)c1 ZINC000857536124 682892175 /nfs/dbraw/zinc/89/21/75/682892175.db2.gz VJPKOKMOUGZGPX-UHFFFAOYSA-N -1 3 350.371 2.059 20 10 FECDHM COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3cc(C)ns3)C2)cc1 ZINC000867428694 684277270 /nfs/dbraw/zinc/27/72/70/684277270.db2.gz NYTBOPVGFXMNJB-ZDUSSCGKSA-N -1 3 367.496 2.265 20 10 FECDHM COc1c([O-])c(CN2CCO[C@H](C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000877820013 686471449 /nfs/dbraw/zinc/47/14/49/686471449.db2.gz LLVYCPKZQFOKBK-NSHDSACASA-N -1 3 350.293 2.462 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H]2CCCC2(F)F)c1 ZINC000881581513 687170839 /nfs/dbraw/zinc/17/08/39/687170839.db2.gz FIYYTZXFMPWFDK-JTQLQIEISA-N -1 3 362.398 2.319 20 10 FECDHM CCN(CC)C(=O)CN1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893928076 689432227 /nfs/dbraw/zinc/43/22/27/689432227.db2.gz OABMHDLEXOYATL-UHFFFAOYSA-N -1 3 355.429 2.047 20 10 FECDHM O=C1CC[C@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@@H]2N1 ZINC000895258309 689685711 /nfs/dbraw/zinc/68/57/11/689685711.db2.gz CFSDQMWBQIIXJE-ZANVPECISA-N -1 3 357.223 2.394 20 10 FECDHM CCc1noc(C[C@@]2(O)CCCN(Cc3cc(F)cc(F)c3[O-])C2)n1 ZINC000895375496 689705444 /nfs/dbraw/zinc/70/54/44/689705444.db2.gz SNBVZGCCDYYOOF-KRWDZBQOSA-N -1 3 353.369 2.185 20 10 FECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCN2CCSC[C@@H]12 ZINC000896609417 689905623 /nfs/dbraw/zinc/90/56/23/689905623.db2.gz NTGYNBVUGXFYLR-KBPBESRZSA-N -1 3 355.891 2.425 20 10 FECDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)sn1 ZINC000908459756 691683656 /nfs/dbraw/zinc/68/36/56/691683656.db2.gz JNFOFYFMIGLWMQ-HNNXBMFYSA-N -1 3 368.528 2.099 20 10 FECDHM C[C@H]1CCCC[C@H]1OCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055258903 540641193 /nfs/dbraw/zinc/64/11/93/540641193.db2.gz KAPHHFBHVLKLOT-BLLLJJGKSA-N -1 3 370.471 2.089 20 10 FECDHM CN(C)C(=O)N(C)[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000827544834 675763926 /nfs/dbraw/zinc/76/39/26/675763926.db2.gz LQGVPOCEAFJJAK-LBPRGKRZSA-N -1 3 356.264 2.342 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CC(c3ccccc3)C2)c1 ZINC000077444784 542382571 /nfs/dbraw/zinc/38/25/71/542382571.db2.gz PBJSZNUGDVYBRR-UHFFFAOYSA-N -1 3 360.435 2.440 20 10 FECDHM CCOc1ccc(O)c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000091811214 542827068 /nfs/dbraw/zinc/82/70/68/542827068.db2.gz AMXCDGCCNJIVTG-UHFFFAOYSA-N -1 3 356.422 2.455 20 10 FECDHM CC(=O)c1cc(F)cc(CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1[O-] ZINC000120842406 543684882 /nfs/dbraw/zinc/68/48/82/543684882.db2.gz WTNBHKDHOLYZIB-ZDUSSCGKSA-N -1 3 374.376 2.389 20 10 FECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cc[nH]c(=O)c1 ZINC000134260614 544300526 /nfs/dbraw/zinc/30/05/26/544300526.db2.gz LTGWEHJYXBAZPH-HNNXBMFYSA-N -1 3 361.829 2.128 20 10 FECDHM CCN(CCc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000136999614 544383028 /nfs/dbraw/zinc/38/30/28/544383028.db2.gz YEXDZOKMHPHQEZ-UHFFFAOYSA-N -1 3 362.451 2.469 20 10 FECDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000805066817 674316705 /nfs/dbraw/zinc/31/67/05/674316705.db2.gz APLFXSQLAVWYEB-JTQLQIEISA-N -1 3 368.484 2.207 20 10 FECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000179430434 546951975 /nfs/dbraw/zinc/95/19/75/546951975.db2.gz PMYZBRWKLPAZBD-UHFFFAOYSA-N -1 3 354.406 2.313 20 10 FECDHM Cc1ccc(C(=O)N2CCN(c3ncnc4ccsc43)CC2)c([O-])c1O ZINC000179515258 546970066 /nfs/dbraw/zinc/97/00/66/546970066.db2.gz BUXXGTULUXUFFT-UHFFFAOYSA-N -1 3 370.434 2.373 20 10 FECDHM COc1cc(Cl)cc(CN2CCN(C(=O)c3cccnc3)CC2)c1[O-] ZINC000184670769 547864011 /nfs/dbraw/zinc/86/40/11/547864011.db2.gz JTFQHUQREMMVSW-UHFFFAOYSA-N -1 3 361.829 2.407 20 10 FECDHM CCc1ccc(C(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000186894587 548214313 /nfs/dbraw/zinc/21/43/13/548214313.db2.gz YOQHCIUHVSDLPN-UHFFFAOYSA-N -1 3 354.406 2.258 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c1[O-] ZINC000267356211 550029992 /nfs/dbraw/zinc/02/99/92/550029992.db2.gz HHBIMQCEHIAIEK-LBPRGKRZSA-N -1 3 374.890 2.009 20 10 FECDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCN1c1nccn2cnnc12 ZINC000271302112 550362891 /nfs/dbraw/zinc/36/28/91/550362891.db2.gz UMNKDMHZBDXVNG-GFCCVEGCSA-N -1 3 358.833 2.194 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@H]3CCCC[C@H]32)c1 ZINC000271428241 550374703 /nfs/dbraw/zinc/37/47/03/550374703.db2.gz SLEQCIFFSBPPHN-HIFRSBDPSA-N -1 3 370.496 2.264 20 10 FECDHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)NCCC(C)C)c([O-])c1O ZINC000272862209 550474245 /nfs/dbraw/zinc/47/42/45/550474245.db2.gz UXTQDJJTSKQKCQ-ZDUSSCGKSA-N -1 3 352.456 2.084 20 10 FECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(N3CCOCC3)nc2)c1 ZINC000273395105 550497108 /nfs/dbraw/zinc/49/71/08/550497108.db2.gz LVLLWVVMCLJYTP-AWEZNQCLSA-N -1 3 371.437 2.261 20 10 FECDHM COc1c([O-])c(CN2CCN(c3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000278194723 550759581 /nfs/dbraw/zinc/75/95/81/550759581.db2.gz IGYLAZQUPLZQEM-UHFFFAOYSA-N -1 3 359.382 2.337 20 10 FECDHM COc1c([O-])c(CN2CCC(O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278538361 550796901 /nfs/dbraw/zinc/79/69/01/550796901.db2.gz WVUIOUSCLXZRLK-UHFFFAOYSA-N -1 3 350.293 2.198 20 10 FECDHM O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(O)c1[O-] ZINC000280157475 550966330 /nfs/dbraw/zinc/96/63/30/550966330.db2.gz NGMZWBNQNDRXGW-INIZCTEOSA-N -1 3 356.378 2.145 20 10 FECDHM C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cc(Br)ccc1[O-] ZINC000289271970 552293175 /nfs/dbraw/zinc/29/31/75/552293175.db2.gz GKXMTTJKMGAEBU-IUODEOHRSA-N -1 3 355.276 2.450 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)Cn1cc(Cl)cn1 ZINC000291580340 552639963 /nfs/dbraw/zinc/63/99/63/552639963.db2.gz CGAFZDVAVYMDPY-UHFFFAOYSA-N -1 3 372.208 2.097 20 10 FECDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCOC(C)(C)C1 ZINC000292515587 552734114 /nfs/dbraw/zinc/73/41/14/552734114.db2.gz BIQKVAUONGJACQ-ZDUSSCGKSA-N -1 3 370.471 2.183 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cnn(CC)n1 ZINC000293348824 552814225 /nfs/dbraw/zinc/81/42/25/552814225.db2.gz KSDNKJDFFWLXTQ-UHFFFAOYSA-N -1 3 353.220 2.428 20 10 FECDHM O=C(NCc1n[nH]c(C2CC2)n1)NCc1cccc(Br)c1[O-] ZINC000297642228 553319284 /nfs/dbraw/zinc/31/92/84/553319284.db2.gz BSXQNHMPCTWURG-UHFFFAOYSA-N -1 3 366.219 2.150 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cccnc2)c1 ZINC000362336369 554964372 /nfs/dbraw/zinc/96/43/72/554964372.db2.gz OXVACNBITIVBEO-HNNXBMFYSA-N -1 3 361.423 2.136 20 10 FECDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368619622 556365286 /nfs/dbraw/zinc/36/52/86/556365286.db2.gz QPYNJMGCDNCRRS-STQMWFEESA-N -1 3 374.268 2.361 20 10 FECDHM COC(=O)[C@H]1C[C@H](NCc2cccc(F)c2[O-])CN1C(=O)OC(C)(C)C ZINC000370489763 556888085 /nfs/dbraw/zinc/88/80/85/556888085.db2.gz COOWRYRFAAEDSN-GXTWGEPZSA-N -1 3 368.405 2.172 20 10 FECDHM COC(=O)c1cn([C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000372030839 557361911 /nfs/dbraw/zinc/36/19/11/557361911.db2.gz KGDGXDFOMFLHIU-CYBMUJFWSA-N -1 3 350.806 2.261 20 10 FECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1=CCOCC1 ZINC000373534863 557712771 /nfs/dbraw/zinc/71/27/71/557712771.db2.gz DXVDCHIEUATLFY-MRXNPFEDSA-N -1 3 350.846 2.473 20 10 FECDHM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(Br)ccc1[O-] ZINC000374896067 557947524 /nfs/dbraw/zinc/94/75/24/557947524.db2.gz KMPNVFULJMETIK-CHWSQXEVSA-N -1 3 358.232 2.307 20 10 FECDHM NC(=O)[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1C(F)(F)F ZINC000375409934 558022694 /nfs/dbraw/zinc/02/26/94/558022694.db2.gz BNKOPAVVYWEETP-NXEZZACHSA-N -1 3 367.165 2.250 20 10 FECDHM O=S(=O)(C1CC1)N1CCC[C@@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000375793502 558080552 /nfs/dbraw/zinc/08/05/52/558080552.db2.gz SXFRQCQOIABYBN-SNVBAGLBSA-N -1 3 362.854 2.231 20 10 FECDHM COc1c([O-])c(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000377213684 558290054 /nfs/dbraw/zinc/29/00/54/558290054.db2.gz IVGDGNQSLKLHLH-SJKOYZFVSA-N -1 3 352.387 2.079 20 10 FECDHM COc1cc(Cl)cc(CNC(c2nccn2C)c2nccn2C)c1[O-] ZINC000529641767 562379905 /nfs/dbraw/zinc/37/99/05/562379905.db2.gz FIODGNGAMPONOM-UHFFFAOYSA-N -1 3 361.833 2.400 20 10 FECDHM COc1ccc(O)c(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821837373 607280292 /nfs/dbraw/zinc/28/02/92/607280292.db2.gz CWBXDICRSZIBCR-UHFFFAOYSA-N -1 3 354.370 2.211 20 10 FECDHM COc1ccc(O)c(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821837373 607280293 /nfs/dbraw/zinc/28/02/93/607280293.db2.gz CWBXDICRSZIBCR-UHFFFAOYSA-N -1 3 354.370 2.211 20 10 FECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735873271 598442683 /nfs/dbraw/zinc/44/26/83/598442683.db2.gz DXJKWRHVRWKZDD-UHFFFAOYSA-N -1 3 365.441 2.379 20 10 FECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735873271 598442684 /nfs/dbraw/zinc/44/26/84/598442684.db2.gz DXJKWRHVRWKZDD-UHFFFAOYSA-N -1 3 365.441 2.379 20 10 FECDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825966231 607687237 /nfs/dbraw/zinc/68/72/37/607687237.db2.gz UHQCEGVLLTYRQB-UHFFFAOYSA-N -1 3 365.441 2.457 20 10 FECDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825966231 607687239 /nfs/dbraw/zinc/68/72/39/607687239.db2.gz UHQCEGVLLTYRQB-UHFFFAOYSA-N -1 3 365.441 2.457 20 10 FECDHM COc1ccc(O)c([C@@H](C)NCC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000833733621 605127130 /nfs/dbraw/zinc/12/71/30/605127130.db2.gz LNAQHPSLKOKZAZ-GFCCVEGCSA-N -1 3 358.394 2.413 20 10 FECDHM Cc1cc(C(=O)N[C@H](C)CCCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168783 606919736 /nfs/dbraw/zinc/91/97/36/606919736.db2.gz SFOOQBBZHXTMAZ-GFCCVEGCSA-N -1 3 368.441 2.165 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826210550 608074849 /nfs/dbraw/zinc/07/48/49/608074849.db2.gz VYOJLNXJATXIOC-UMAGTOLTSA-N -1 3 365.393 2.472 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826210550 608074850 /nfs/dbraw/zinc/07/48/50/608074850.db2.gz VYOJLNXJATXIOC-UMAGTOLTSA-N -1 3 365.393 2.472 20 10 FECDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OC)c1O ZINC000826162416 608136568 /nfs/dbraw/zinc/13/65/68/608136568.db2.gz BCNNTQHSMXTHAD-UHFFFAOYSA-N -1 3 371.397 2.218 20 10 FECDHM Cc1cc(C(=O)N[C@H](CO)C(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260230 609395662 /nfs/dbraw/zinc/39/56/62/609395662.db2.gz CDPLMOVWBGSELN-QGZVFWFLSA-N -1 3 368.441 2.021 20 10 FECDHM C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)NCc1ccco1 ZINC000111399224 670858564 /nfs/dbraw/zinc/85/85/64/670858564.db2.gz KVILZNGVGSKKCK-VIFPVBQESA-N -1 3 353.762 2.341 20 10 FECDHM COC(=O)CN(CCOC[C@H]1CCCO1)Cc1cc(Cl)ccc1[O-] ZINC000741253286 673677570 /nfs/dbraw/zinc/67/75/70/673677570.db2.gz UPDAZOJURHDLQS-OAHLLOKOSA-N -1 3 357.834 2.216 20 10 FECDHM Cc1cc([O-])c(CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1Cl ZINC000824905741 675628457 /nfs/dbraw/zinc/62/84/57/675628457.db2.gz BKWFLJJEQVMCAD-HNNXBMFYSA-N -1 3 365.905 2.483 20 10 FECDHM COc1c([O-])c(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000825124681 675637781 /nfs/dbraw/zinc/63/77/81/675637781.db2.gz WAFBPIBWTWOIIQ-TVQRCGJNSA-N -1 3 350.293 2.054 20 10 FECDHM Cc1cc([O-])c(CN2CCC(N3CCS(=O)(=O)CC3)CC2)cc1Cl ZINC000825629655 675661662 /nfs/dbraw/zinc/66/16/62/675661662.db2.gz ZQCFNNBGFJWDTC-UHFFFAOYSA-N -1 3 372.918 2.049 20 10 FECDHM CCn1nccc1CN(CCO)Cc1ccc(Br)cc1[O-] ZINC000825745090 675666859 /nfs/dbraw/zinc/66/68/59/675666859.db2.gz VSRSQONEFPALFU-UHFFFAOYSA-N -1 3 354.248 2.366 20 10 FECDHM CCOC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCCOC1 ZINC000754265201 680346574 /nfs/dbraw/zinc/34/65/74/680346574.db2.gz WPOYRDPYVIXXOE-LRDDRELGSA-N -1 3 353.390 2.182 20 10 FECDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2O)ccc1F ZINC000769360075 680979474 /nfs/dbraw/zinc/97/94/74/680979474.db2.gz ZOFHTRGTFZGMLN-UHFFFAOYSA-N -1 3 366.414 2.148 20 10 FECDHM Cc1nonc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000771058360 681039760 /nfs/dbraw/zinc/03/97/60/681039760.db2.gz MWUBHZSUOJUYGW-CYBMUJFWSA-N -1 3 350.806 2.131 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)N(C)C)CC2(C)C)c1[O-] ZINC000777739279 681525050 /nfs/dbraw/zinc/52/50/50/681525050.db2.gz OKNPGBIBNURWHS-UHFFFAOYSA-N -1 3 351.422 2.312 20 10 FECDHM Cc1cc(Br)c([O-])c(CN(C)C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000781906925 681987587 /nfs/dbraw/zinc/98/75/87/681987587.db2.gz ABMKBQTZJDXXGK-NSHDSACASA-N -1 3 362.289 2.330 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](OC)[C@H]1CCOC1 ZINC000851841866 682157871 /nfs/dbraw/zinc/15/78/71/682157871.db2.gz YPTYMHNGWFOMSX-LRDDRELGSA-N -1 3 357.834 2.072 20 10 FECDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000790415340 682675245 /nfs/dbraw/zinc/67/52/45/682675245.db2.gz DNSFILPTCUSAEA-UHFFFAOYSA-N -1 3 369.464 2.300 20 10 FECDHM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2cccc(O)c2[O-])C1 ZINC000790664243 682693526 /nfs/dbraw/zinc/69/35/26/682693526.db2.gz BMIOVAYGDFYDME-LBPRGKRZSA-N -1 3 350.415 2.475 20 10 FECDHM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[O-] ZINC000790904746 682711621 /nfs/dbraw/zinc/71/16/21/682711621.db2.gz YJKDUYDVLNOWSI-VXGBXAGGSA-N -1 3 350.415 2.473 20 10 FECDHM COCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CC[C@H](C)C1 ZINC000791775702 682765378 /nfs/dbraw/zinc/76/53/78/682765378.db2.gz MENIXABLLWRCKX-JSGCOSHPSA-N -1 3 370.471 2.041 20 10 FECDHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NCc2c([O-])cccc2F)s1 ZINC000921452589 683473029 /nfs/dbraw/zinc/47/30/29/683473029.db2.gz SVZJSZJECFGCKK-VIFPVBQESA-N -1 3 372.443 2.268 20 10 FECDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](C)C1(F)F ZINC000862437446 683591804 /nfs/dbraw/zinc/59/18/04/683591804.db2.gz FTUHAFXAQLEYTK-NXEZZACHSA-N -1 3 362.398 2.127 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1[O-] ZINC000879919867 686945426 /nfs/dbraw/zinc/94/54/26/686945426.db2.gz IVTIMRHNFJRPLU-HOTGVXAUSA-N -1 3 353.390 2.086 20 10 FECDHM CN1C(=O)NCC12CCN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC000895056739 689649600 /nfs/dbraw/zinc/64/96/00/689649600.db2.gz AMSDEPPTQCSYCG-UHFFFAOYSA-N -1 3 372.238 2.283 20 10 FECDHM Cn1ccnc1N1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895354524 689701219 /nfs/dbraw/zinc/70/12/19/689701219.db2.gz PRGAAKFRAVHBCF-UHFFFAOYSA-N -1 3 369.238 2.350 20 10 FECDHM COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Br)ccc1[O-] ZINC000895863102 689784189 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COc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)on1 ZINC000764258235 680804544 /nfs/dbraw/zinc/80/45/44/680804544.db2.gz WTMHCNYPIQOSOU-ZDUSSCGKSA-N -1 3 365.817 2.437 20 10 FECDHM CCC(CC)[C@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])OC ZINC000747616959 679892707 /nfs/dbraw/zinc/89/27/07/679892707.db2.gz MHGNZYICNGJIOI-INIZCTEOSA-N -1 3 372.487 2.335 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H]2Cc2ccccc2)c1 ZINC000748420737 679961435 /nfs/dbraw/zinc/96/14/35/679961435.db2.gz LLSGFTVNRUBAIL-HNNXBMFYSA-N -1 3 360.435 2.221 20 10 FECDHM CCC1(CC)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1OC ZINC000768257269 680942169 /nfs/dbraw/zinc/94/21/69/680942169.db2.gz OUKLAGQLPVFIBU-HUUCEWRRSA-N -1 3 370.471 2.087 20 10 FECDHM CC(C)O[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000768494612 680948390 /nfs/dbraw/zinc/94/83/90/680948390.db2.gz PQCCLBBISSJLOR-CABCVRRESA-N -1 3 370.471 2.086 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCc2cccs2)c1 ZINC000770223288 681009780 /nfs/dbraw/zinc/00/97/80/681009780.db2.gz IRORSSOHUHCRRM-UHFFFAOYSA-N -1 3 354.453 2.188 20 10 FECDHM Cc1ccc2c(c1)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC2 ZINC000855378782 682663415 /nfs/dbraw/zinc/66/34/15/682663415.db2.gz DZPCZMWCFXOKBW-UHFFFAOYSA-N -1 3 360.435 2.271 20 10 FECDHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCc2c([O-])cccc2F)s1 ZINC000921452588 683473155 /nfs/dbraw/zinc/47/31/55/683473155.db2.gz SVZJSZJECFGCKK-SECBINFHSA-N -1 3 372.443 2.268 20 10 FECDHM O=C(NCc1c([O-])cccc1F)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000928713066 683492912 /nfs/dbraw/zinc/49/29/12/683492912.db2.gz ZRYFXBWBSJSRLR-ONGXEEELSA-N -1 3 351.296 2.132 20 10 FECDHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1c([O-])cccc1Br ZINC000862299594 683567647 /nfs/dbraw/zinc/56/76/47/683567647.db2.gz CCMJHTVPWIHFAK-GXFFZTMASA-N -1 3 358.232 2.307 20 10 FECDHM COC(=O)CN(Cc1[nH]nc2c1COCC2)Cc1cc(Cl)ccc1[O-] ZINC000929976323 683664023 /nfs/dbraw/zinc/66/40/23/683664023.db2.gz NHIFTKMRVMZGNL-UHFFFAOYSA-N -1 3 365.817 2.017 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H](O)CC3(CCOCC3)C2)c1[O-] ZINC000895721744 689762139 /nfs/dbraw/zinc/76/21/39/689762139.db2.gz ILIBRPDGLOELRC-ZDUSSCGKSA-N -1 3 356.806 2.317 20 10 FECDHM C[C@H](Cc1cccs1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000065636991 541249861 /nfs/dbraw/zinc/24/98/61/541249861.db2.gz XWUVRRZMPWPEPZ-SNVBAGLBSA-N -1 3 354.453 2.186 20 10 FECDHM C[C@H]1CN(C(=O)CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)C[C@H](C)O1 ZINC000072952801 541895766 /nfs/dbraw/zinc/89/57/66/541895766.db2.gz VXCYUQRZGXACIV-BQFCYCMXSA-N -1 3 362.470 2.009 20 10 FECDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Br)ccc1[O-] ZINC000093416678 542930653 /nfs/dbraw/zinc/93/06/53/542930653.db2.gz YOEZMXWJZOCLHY-SNVBAGLBSA-N -1 3 350.278 2.410 20 10 FECDHM COC(=O)Cc1nnc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[n-]1 ZINC000118662588 543654882 /nfs/dbraw/zinc/65/48/82/543654882.db2.gz CRNJFQLOCQSBTH-UHFFFAOYSA-N -1 3 367.409 2.488 20 10 FECDHM COC(=O)Cc1n[n-]c(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000118662588 543654886 /nfs/dbraw/zinc/65/48/86/543654886.db2.gz CRNJFQLOCQSBTH-UHFFFAOYSA-N -1 3 367.409 2.488 20 10 FECDHM COC(=O)Cc1nc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n[n-]1 ZINC000118662588 543654890 /nfs/dbraw/zinc/65/48/90/543654890.db2.gz CRNJFQLOCQSBTH-UHFFFAOYSA-N -1 3 367.409 2.488 20 10 FECDHM COC(=O)Cc1nnc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[n-]1 ZINC000124872691 543847981 /nfs/dbraw/zinc/84/79/81/543847981.db2.gz IWLFPDZUIBLFKT-UHFFFAOYSA-N -1 3 367.409 2.488 20 10 FECDHM COC(=O)Cc1n[n-]c(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000124872691 543847984 /nfs/dbraw/zinc/84/79/84/543847984.db2.gz IWLFPDZUIBLFKT-UHFFFAOYSA-N -1 3 367.409 2.488 20 10 FECDHM COC(=O)Cc1nc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)n[n-]1 ZINC000124872691 543847985 /nfs/dbraw/zinc/84/79/85/543847985.db2.gz IWLFPDZUIBLFKT-UHFFFAOYSA-N -1 3 367.409 2.488 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCn3c(nnc3C(F)(F)F)C2)c1[O-] ZINC000132767752 544243198 /nfs/dbraw/zinc/24/31/98/544243198.db2.gz SKKYKRGMHUIARL-UHFFFAOYSA-N -1 3 358.295 2.360 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCCC(=O)NC ZINC000156075923 545597077 /nfs/dbraw/zinc/59/70/77/545597077.db2.gz WZVIUJGZOLMKOP-UHFFFAOYSA-N -1 3 357.248 2.420 20 10 FECDHM Cc1ccc(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c([O-])c1O ZINC000179443185 546954757 /nfs/dbraw/zinc/95/47/57/546954757.db2.gz WPVXUOUYCGTOFC-UHFFFAOYSA-N -1 3 360.435 2.456 20 10 FECDHM Cc1ccc(C(=O)NCCNc2nccc(C(F)(F)F)n2)c([O-])c1O ZINC000179509801 546967777 /nfs/dbraw/zinc/96/77/77/546967777.db2.gz QYBKVHNOEANOSI-UHFFFAOYSA-N -1 3 356.304 2.057 20 10 FECDHM Cc1cc(N2CCC(NC(=O)c3ccc(C)c(O)c3[O-])CC2)nc(C)n1 ZINC000179538050 546972967 /nfs/dbraw/zinc/97/29/67/546972967.db2.gz MOENJPXSNQWQRI-UHFFFAOYSA-N -1 3 356.426 2.212 20 10 FECDHM Cc1ccc(C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c([O-])c1O ZINC000181834692 547388151 /nfs/dbraw/zinc/38/81/51/547388151.db2.gz FBUGMZFGUSJPGU-ZDUSSCGKSA-N -1 3 352.394 2.469 20 10 FECDHM Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(F)c(F)c3[O-])C2=O)n(C)n1 ZINC000187791138 548264006 /nfs/dbraw/zinc/26/40/06/548264006.db2.gz HLRFPVRHKSOOLD-ZWNOBZJWSA-N -1 3 350.369 2.168 20 10 FECDHM O=C(CCCc1ccccc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192998197 548377754 /nfs/dbraw/zinc/37/77/54/548377754.db2.gz SVSTYYFWHKLVMO-UHFFFAOYSA-N -1 3 368.433 2.405 20 10 FECDHM Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c([O-])c1O ZINC000248414082 549432515 /nfs/dbraw/zinc/43/25/15/549432515.db2.gz MEWCJXNUXLFJOP-PBHICJAKSA-N -1 3 355.438 2.442 20 10 FECDHM Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c([O-])c1O ZINC000272781681 550470688 /nfs/dbraw/zinc/47/06/88/550470688.db2.gz VIGYRAAICCDHIH-DOTOQJQBSA-N -1 3 357.406 2.371 20 10 FECDHM Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)c([O-])c1O ZINC000272781688 550470714 /nfs/dbraw/zinc/47/07/14/550470714.db2.gz VIGYRAAICCDHIH-RDJZCZTQSA-N -1 3 357.406 2.371 20 10 FECDHM COC(=O)C1=NOC2(C1)CCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000274602712 550545659 /nfs/dbraw/zinc/54/56/59/550545659.db2.gz LPHQIGKSSZOWMQ-UHFFFAOYSA-N -1 3 364.373 2.018 20 10 FECDHM COc1cccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1[O-] ZINC000275555758 550572788 /nfs/dbraw/zinc/57/27/88/550572788.db2.gz MFJLTRSYJBCDLG-UHFFFAOYSA-N -1 3 369.421 2.322 20 10 FECDHM COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000276669896 550583486 /nfs/dbraw/zinc/58/34/86/550583486.db2.gz URIGQCQMRAOTAG-SJLPKXTDSA-N -1 3 357.406 2.079 20 10 FECDHM O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)NCc1ccc2c(c1)CCO2 ZINC000277136948 550635909 /nfs/dbraw/zinc/63/59/09/550635909.db2.gz BVIZKHYYANNURG-LBPRGKRZSA-N -1 3 355.316 2.080 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000277717158 550705923 /nfs/dbraw/zinc/70/59/23/550705923.db2.gz XTIPKPQNYZLOAO-VIFPVBQESA-N -1 3 366.361 2.178 20 10 FECDHM CCOc1cc(NC2CCN(C(=O)c3cccc(O)c3[O-])CC2)ncn1 ZINC000280352796 550984074 /nfs/dbraw/zinc/98/40/74/550984074.db2.gz BWAFTOJPOHPUSY-UHFFFAOYSA-N -1 3 358.398 2.003 20 10 FECDHM C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1cc(Br)ccc1[O-] ZINC000289271965 552293040 /nfs/dbraw/zinc/29/30/40/552293040.db2.gz GKXMTTJKMGAEBU-DOMZBBRYSA-N -1 3 355.276 2.450 20 10 FECDHM COCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCCC1 ZINC000292232836 552707002 /nfs/dbraw/zinc/70/70/02/552707002.db2.gz NDOQMEGDNJJDIG-UHFFFAOYSA-N -1 3 370.471 2.090 20 10 FECDHM Cn1ccnc1[C@]([O-])(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(F)(F)F ZINC000293667197 552845369 /nfs/dbraw/zinc/84/53/69/552845369.db2.gz QBQJNDOAFAMJHS-CYBMUJFWSA-N -1 3 367.730 2.458 20 10 FECDHM COC[C@@]1(C(=O)OC)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000296150820 553112950 /nfs/dbraw/zinc/11/29/50/553112950.db2.gz GTRZPXGWPUZQBP-QGZVFWFLSA-N -1 3 355.818 2.260 20 10 FECDHM Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c([O-])c1O ZINC000364696310 555377429 /nfs/dbraw/zinc/37/74/29/555377429.db2.gz BFSVHZGOBGYDDP-INIZCTEOSA-N -1 3 368.433 2.227 20 10 FECDHM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000365680775 555639192 /nfs/dbraw/zinc/63/91/92/555639192.db2.gz SANTYQUPGOGIKZ-MGPLVRAMSA-N -1 3 362.407 2.016 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000365757424 555660993 /nfs/dbraw/zinc/66/09/93/555660993.db2.gz IHIARRRWAOJPPC-AWEZNQCLSA-N -1 3 367.361 2.362 20 10 FECDHM CC(C)(C)NC(=O)CN1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000367752606 556130698 /nfs/dbraw/zinc/13/06/98/556130698.db2.gz XTSUCBWZCZZBMM-UHFFFAOYSA-N -1 3 353.894 2.468 20 10 FECDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000370074630 556773881 /nfs/dbraw/zinc/77/38/81/556773881.db2.gz WQNYKHGVSJQXFK-LLVKDONJSA-N -1 3 368.434 2.006 20 10 FECDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000370074630 556773882 /nfs/dbraw/zinc/77/38/82/556773882.db2.gz WQNYKHGVSJQXFK-LLVKDONJSA-N -1 3 368.434 2.006 20 10 FECDHM COc1c([O-])c(CN2CCCC[C@H]2CN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000373210225 557650674 /nfs/dbraw/zinc/65/06/74/557650674.db2.gz OCWWTLZYJHEINR-AWEZNQCLSA-N -1 3 363.414 2.286 20 10 FECDHM COc1c([O-])c(CN2CC(C)(C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373604825 557728018 /nfs/dbraw/zinc/72/80/18/557728018.db2.gz SSFAMCXSTYLGMQ-SFHVURJKSA-N -1 3 366.414 2.469 20 10 FECDHM COc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737103976 598320845 /nfs/dbraw/zinc/32/08/45/598320845.db2.gz NJAKEPMGFJRMEC-UHFFFAOYSA-N -1 3 359.390 2.328 20 10 FECDHM COc1ccc(N2CCN(c3ccc(F)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821832018 599465771 /nfs/dbraw/zinc/46/57/71/599465771.db2.gz WKKQIPVTQJARMN-UHFFFAOYSA-N -1 3 354.389 2.341 20 10 FECDHM COc1ccc(N2CCN(c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821832018 599465773 /nfs/dbraw/zinc/46/57/73/599465773.db2.gz WKKQIPVTQJARMN-UHFFFAOYSA-N -1 3 354.389 2.341 20 10 FECDHM C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374837 599471337 /nfs/dbraw/zinc/47/13/37/599471337.db2.gz RCGMMLQLCAKDEN-ZDUSSCGKSA-N -1 3 365.441 2.493 20 10 FECDHM C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374837 599471339 /nfs/dbraw/zinc/47/13/39/599471339.db2.gz RCGMMLQLCAKDEN-ZDUSSCGKSA-N -1 3 365.441 2.493 20 10 FECDHM O=C([O-])N1CCC[C@H]1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000834108480 605500493 /nfs/dbraw/zinc/50/04/93/605500493.db2.gz QPIIQEYRRRMUIH-RDJZCZTQSA-N -1 3 362.426 2.172 20 10 FECDHM O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823224323 606660892 /nfs/dbraw/zinc/66/08/92/606660892.db2.gz YBIFFIQMWCDMTK-UHFFFAOYSA-N -1 3 374.788 2.296 20 10 FECDHM O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823224323 606660893 /nfs/dbraw/zinc/66/08/93/606660893.db2.gz YBIFFIQMWCDMTK-UHFFFAOYSA-N -1 3 374.788 2.296 20 10 FECDHM CCCN(Cc1ccccc1O)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825323192 609247506 /nfs/dbraw/zinc/24/75/06/609247506.db2.gz QLHPNLGLNAOGPU-QGZVFWFLSA-N -1 3 367.409 2.045 20 10 FECDHM CCCN(Cc1ccccc1O)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825323192 609247508 /nfs/dbraw/zinc/24/75/08/609247508.db2.gz QLHPNLGLNAOGPU-QGZVFWFLSA-N -1 3 367.409 2.045 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(c3ccccc3F)C2)c1 ZINC000812745796 674696322 /nfs/dbraw/zinc/69/63/22/674696322.db2.gz HOXWUPBNOPLACJ-UHFFFAOYSA-N -1 3 364.398 2.142 20 10 FECDHM CCn1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000815835071 674976435 /nfs/dbraw/zinc/97/64/35/674976435.db2.gz JIWBNEZMJCKRGA-CQSZACIVSA-N -1 3 363.849 2.051 20 10 FECDHM O=C(C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)N1CCOCC1 ZINC000816482320 675058772 /nfs/dbraw/zinc/05/87/72/675058772.db2.gz BMMNWEKJEUXCON-UHFFFAOYSA-N -1 3 356.825 2.256 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C3CCCC3)C2)c1 ZINC000817636005 675156099 /nfs/dbraw/zinc/15/60/99/675156099.db2.gz IDXWDWPWXCINEB-ZDUSSCGKSA-N -1 3 352.456 2.416 20 10 FECDHM COC(=O)CN(CC(=O)N1CCCC[C@@H]1C)Cc1cc(Cl)ccc1[O-] ZINC000174854700 672363843 /nfs/dbraw/zinc/36/38/43/672363843.db2.gz QSRBHTNMMLKTIF-ZDUSSCGKSA-N -1 3 368.861 2.422 20 10 FECDHM Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)ccc1O ZINC000184898526 672511298 /nfs/dbraw/zinc/51/12/98/672511298.db2.gz UXEQQXCQKGIHQM-UHFFFAOYSA-N -1 3 358.419 2.337 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ncnc3ccsc32)CC1 ZINC000185727970 672533081 /nfs/dbraw/zinc/53/30/81/672533081.db2.gz JSLSGZAXJDSSLU-UHFFFAOYSA-N -1 3 356.407 2.065 20 10 FECDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000740701110 673650886 /nfs/dbraw/zinc/65/08/86/673650886.db2.gz SBXZNASOGGWJBD-UHFFFAOYSA-N -1 3 355.437 2.046 20 10 FECDHM Cn1ccnc1N1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000827892081 675785608 /nfs/dbraw/zinc/78/56/08/675785608.db2.gz QSBOGEGFAGFAPH-UHFFFAOYSA-N -1 3 351.248 2.210 20 10 FECDHM CCN(CC)C(=O)N1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000750817120 680134662 /nfs/dbraw/zinc/13/46/62/680134662.db2.gz JFFASVFJTMTBQZ-UHFFFAOYSA-N -1 3 351.422 2.313 20 10 FECDHM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2nc[nH]c2C1 ZINC000834475969 680232231 /nfs/dbraw/zinc/23/22/31/680232231.db2.gz JUMVXGKQVHZSHW-VIFPVBQESA-N -1 3 350.216 2.299 20 10 FECDHM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2[nH]cnc2C1 ZINC000834475969 680232234 /nfs/dbraw/zinc/23/22/34/680232234.db2.gz JUMVXGKQVHZSHW-VIFPVBQESA-N -1 3 350.216 2.299 20 10 FECDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000843119280 680988878 /nfs/dbraw/zinc/98/88/78/680988878.db2.gz WATWECQGQQGFIR-UHFFFAOYSA-N -1 3 365.840 2.259 20 10 FECDHM [O-]c1ccc(Br)cc1C[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000848563239 681579138 /nfs/dbraw/zinc/57/91/38/681579138.db2.gz SKFOPSRJLZSXAU-LBPRGKRZSA-N -1 3 353.220 2.414 20 10 FECDHM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cnc(C)s3)C2)cc1 ZINC000849415517 681723259 /nfs/dbraw/zinc/72/32/59/681723259.db2.gz BBSXVYNMRVNLNW-LBPRGKRZSA-N -1 3 353.469 2.017 20 10 FECDHM CCN(Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000781895477 681986403 /nfs/dbraw/zinc/98/64/03/681986403.db2.gz TXSUSJHJYLZCDN-GFCCVEGCSA-N -1 3 362.289 2.472 20 10 FECDHM O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000790599130 682687206 /nfs/dbraw/zinc/68/72/06/682687206.db2.gz STHONDMSPFKDFZ-ZDUSSCGKSA-N -1 3 357.284 2.460 20 10 FECDHM COc1ccc(N2CCN(CCNc3cc(Cl)[n-]c(=O)n3)CC2)cc1 ZINC000858367604 682961714 /nfs/dbraw/zinc/96/17/14/682961714.db2.gz SOIHFBRSTHJAAA-UHFFFAOYSA-N -1 3 363.849 2.078 20 10 FECDHM [O-]c1cccc(Br)c1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000862213973 683550727 /nfs/dbraw/zinc/55/07/27/683550727.db2.gz ZVGJXSSYISMSQA-ZDUSSCGKSA-N -1 3 355.276 2.451 20 10 FECDHM CCN(CC)c1ccc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000866538845 684117172 /nfs/dbraw/zinc/11/71/72/684117172.db2.gz WLUTWZXMYFALFL-UHFFFAOYSA-N -1 3 359.517 2.129 20 10 FECDHM Cn1cc([C@H](CO)NCc2cc(Cl)cc(Br)c2[O-])cn1 ZINC000883076732 687557789 /nfs/dbraw/zinc/55/77/89/687557789.db2.gz LEVSHQYXXDTLBA-LBPRGKRZSA-N -1 3 360.639 2.365 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 ZINC000888912097 688702086 /nfs/dbraw/zinc/70/20/86/688702086.db2.gz UZVVENWMWUUWGE-OAHLLOKOSA-N -1 3 361.419 2.100 20 10 FECDHM COc1c([O-])c(CN2CC[C@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895578277 689739353 /nfs/dbraw/zinc/73/93/53/689739353.db2.gz YALCVIGAWKZCLH-CYBMUJFWSA-N -1 3 350.293 2.462 20 10 FECDHM Nc1nc(C2CC2)nc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC000897575299 690042706 /nfs/dbraw/zinc/04/27/06/690042706.db2.gz SJQQIHWZNMPVNU-UHFFFAOYSA-N -1 3 360.849 2.012 20 10 FECDHM [O-]c1c(F)cc(Br)cc1CNCc1cnc2n1CCOC2 ZINC000898263063 690151758 /nfs/dbraw/zinc/15/17/58/690151758.db2.gz CZAREYLGAMZODJ-UHFFFAOYSA-N -1 3 356.195 2.310 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000055136550 540630879 /nfs/dbraw/zinc/63/08/79/540630879.db2.gz OOBHLYCMIHXVJY-SECBINFHSA-N -1 3 366.361 2.178 20 10 FECDHM Cc1nc([C@@H]2COCCN2Cc2cc(Br)ccc2[O-])no1 ZINC000359998423 206781353 /nfs/dbraw/zinc/78/13/53/206781353.db2.gz LWEVIFICCZVSCZ-LBPRGKRZSA-N -1 3 354.204 2.420 20 10 FECDHM CCN1CCN([C@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000093132861 542911040 /nfs/dbraw/zinc/91/10/40/542911040.db2.gz FYMIKBDOZVCVDD-HNNXBMFYSA-N -1 3 368.865 2.166 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)[C@@H](C)COC ZINC000123903235 543790362 /nfs/dbraw/zinc/79/03/62/543790362.db2.gz RLEVMPDEXIIAEE-JTQLQIEISA-N -1 3 366.277 2.341 20 10 FECDHM COc1c(NC(=O)c2ccc(C)c(O)c2[O-])cc(Cl)cc1C(N)=O ZINC000803791984 674260006 /nfs/dbraw/zinc/26/00/06/674260006.db2.gz OXTQZFLQRABPOB-UHFFFAOYSA-N -1 3 350.758 2.419 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CN1CCCC1=O ZINC000175845057 546360525 /nfs/dbraw/zinc/36/05/25/546360525.db2.gz VFCMRLDZIBPZQX-UHFFFAOYSA-N -1 3 355.232 2.126 20 10 FECDHM COc1cc(Cl)cc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1[O-] ZINC000184703252 547868602 /nfs/dbraw/zinc/86/86/02/547868602.db2.gz ZAFZWRFUIRQDKK-AWEZNQCLSA-N -1 3 374.890 2.054 20 10 FECDHM Cc1cc(N2CC[C@@H](NCc3c([O-])ccc(Cl)c3F)C2=O)n(C)n1 ZINC000191228425 548343113 /nfs/dbraw/zinc/34/31/13/548343113.db2.gz NVQKIGVZEZROCU-GFCCVEGCSA-N -1 3 352.797 2.122 20 10 FECDHM COc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])c2nccn2C)cc1 ZINC000192962321 548376357 /nfs/dbraw/zinc/37/63/57/548376357.db2.gz SIDRPRIOXPHXNM-INIZCTEOSA-N -1 3 353.378 2.359 20 10 FECDHM CNS(=O)(=O)c1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273399739 550497116 /nfs/dbraw/zinc/49/71/16/550497116.db2.gz MURMZDMZFUMEQR-LLVKDONJSA-N -1 3 365.411 2.059 20 10 FECDHM C[C@@H]1CN(Cc2csc(NC(=O)c3cccc(O)c3[O-])n2)C[C@H](C)O1 ZINC000274908878 550564052 /nfs/dbraw/zinc/56/40/52/550564052.db2.gz SRRYBLJNRCQIJU-PHIMTYICSA-N -1 3 363.439 2.416 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1snnc1C ZINC000276854396 550603496 /nfs/dbraw/zinc/60/34/96/550603496.db2.gz FBPUIVUKCXJMDE-UHFFFAOYSA-N -1 3 355.803 2.021 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](CC(F)(F)F)C2)c1 ZINC000277717153 550706048 /nfs/dbraw/zinc/70/60/48/550706048.db2.gz XTIPKPQNYZLOAO-SECBINFHSA-N -1 3 366.361 2.178 20 10 FECDHM COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000278766219 550819437 /nfs/dbraw/zinc/81/94/37/550819437.db2.gz UFSQSWCRMVYCLC-DOMZBBRYSA-N -1 3 374.275 2.001 20 10 FECDHM COc1c([O-])c(CNc2ccc(N3CCN(C)CC3)cn2)ccc1[N+](=O)[O-] ZINC000278950314 550839433 /nfs/dbraw/zinc/83/94/33/550839433.db2.gz ZJRWLMSKVLPULC-UHFFFAOYSA-N -1 3 373.413 2.068 20 10 FECDHM CC1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCS1 ZINC000279064218 550852125 /nfs/dbraw/zinc/85/21/25/550852125.db2.gz DLRLGEYMRQDMJE-UHFFFAOYSA-N -1 3 358.485 2.121 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC2CC2)CC2CCC2)c1 ZINC000279991025 550950499 /nfs/dbraw/zinc/95/04/99/550950499.db2.gz JKQRZGJXZBBFHK-UHFFFAOYSA-N -1 3 352.456 2.416 20 10 FECDHM COc1c([O-])c(CN[C@]2(CO)CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000282411696 551225009 /nfs/dbraw/zinc/22/50/09/551225009.db2.gz SEYYKELGRWMNEE-SFHVURJKSA-N -1 3 360.366 2.069 20 10 FECDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]2CCC[C@H]21 ZINC000294855877 552939218 /nfs/dbraw/zinc/93/92/18/552939218.db2.gz SHXYQZYARNVCQO-ZIAGYGMSSA-N -1 3 352.456 2.414 20 10 FECDHM Cc1cccnc1NC(=O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000363997176 555230257 /nfs/dbraw/zinc/23/02/57/555230257.db2.gz JUKFICWEYAZKKT-UHFFFAOYSA-N -1 3 355.394 2.292 20 10 FECDHM COc1c([O-])c(CN2CCC(c3nnc4n3CCC4)CC2)ccc1[N+](=O)[O-] ZINC000364591767 555347142 /nfs/dbraw/zinc/34/71/42/555347142.db2.gz SPHVCUACGMCYCJ-UHFFFAOYSA-N -1 3 373.413 2.226 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@H]1CCCOCC1 ZINC000373263778 557661245 /nfs/dbraw/zinc/66/12/45/557661245.db2.gz LGYSAPINSBWMBB-LBPRGKRZSA-N -1 3 355.818 2.364 20 10 FECDHM COc1c([O-])c(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000375716521 558072143 /nfs/dbraw/zinc/07/21/43/558072143.db2.gz CGFMLNWKVYPISS-VHDGCEQUSA-N -1 3 352.387 2.077 20 10 FECDHM Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)c([O-])c1O ZINC000376615334 558198165 /nfs/dbraw/zinc/19/81/65/558198165.db2.gz PFULIKSZKLUGPE-ZDUSSCGKSA-N -1 3 355.394 2.292 20 10 FECDHM Cc1cc(C(=O)NC2CCOCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234872 598610759 /nfs/dbraw/zinc/61/07/59/598610759.db2.gz NSKMMNGELKYTFD-UHFFFAOYSA-N -1 3 366.425 2.183 20 10 FECDHM O=C([O-])N1CC[C@@H](N(Cc2ccc(N3CCOCC3)c(F)c2)C2CC2)C1 ZINC000834081792 605620094 /nfs/dbraw/zinc/62/00/94/605620094.db2.gz AQYLATDILNEABH-MRXNPFEDSA-N -1 3 363.433 2.379 20 10 FECDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823254407 606264736 /nfs/dbraw/zinc/26/47/36/606264736.db2.gz SXRZNEZJDXYPDM-UHFFFAOYSA-N -1 3 351.414 2.115 20 10 FECDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823254407 606264737 /nfs/dbraw/zinc/26/47/37/606264737.db2.gz SXRZNEZJDXYPDM-UHFFFAOYSA-N -1 3 351.414 2.115 20 10 FECDHM O=C1[C@H](Sc2nccs2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823513075 606311800 /nfs/dbraw/zinc/31/18/00/606311800.db2.gz SIGRVSZNDLZFTG-MRVPVSSYSA-N -1 3 350.454 2.282 20 10 FECDHM O=C1[C@H](Sc2nccs2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823513075 606311801 /nfs/dbraw/zinc/31/18/01/606311801.db2.gz SIGRVSZNDLZFTG-MRVPVSSYSA-N -1 3 350.454 2.282 20 10 FECDHM CN(C)c1ccc(CNC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821589370 606328450 /nfs/dbraw/zinc/32/84/50/606328450.db2.gz KTCBXLKECRBASX-UHFFFAOYSA-N -1 3 368.466 2.341 20 10 FECDHM CN(C)c1ccc(CNC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821589370 606328451 /nfs/dbraw/zinc/32/84/51/606328451.db2.gz KTCBXLKECRBASX-UHFFFAOYSA-N -1 3 368.466 2.341 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2c(F)cccc2F)c1 ZINC000055288341 670349262 /nfs/dbraw/zinc/34/92/62/670349262.db2.gz PPCJNKZKRBMRAW-UHFFFAOYSA-N -1 3 370.377 2.014 20 10 FECDHM CN(Cc1cccc(F)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000097272321 670763168 /nfs/dbraw/zinc/76/31/68/670763168.db2.gz VSYROLNLTGNYMU-UHFFFAOYSA-N -1 3 352.387 2.175 20 10 FECDHM O=S(=O)(Cc1ccccc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000116913937 670910005 /nfs/dbraw/zinc/91/00/05/670910005.db2.gz GAKKRMSMJZKCDO-UHFFFAOYSA-N -1 3 364.442 2.179 20 10 FECDHM O=C1NCCN1C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000127638150 672039562 /nfs/dbraw/zinc/03/95/62/672039562.db2.gz ULQBSYAZVRNCCE-UHFFFAOYSA-N -1 3 354.248 2.144 20 10 FECDHM COC(=O)CN(Cc1cnc(N(C)C)n1C)Cc1cc(Cl)ccc1[O-] ZINC000822442374 675484884 /nfs/dbraw/zinc/48/48/84/675484884.db2.gz DFRNKCIGLJQUCB-UHFFFAOYSA-N -1 3 366.849 2.020 20 10 FECDHM [O-]c1c(Br)cccc1CNc1nccc(N2CCOCC2)n1 ZINC000764935572 680825055 /nfs/dbraw/zinc/82/50/55/680825055.db2.gz XTIIWGYLZWSPFY-UHFFFAOYSA-N -1 3 365.231 2.393 20 10 FECDHM CN(CC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCSC1 ZINC000765728366 680852855 /nfs/dbraw/zinc/85/28/55/680852855.db2.gz IWFVUTMNSWTVIY-LLVKDONJSA-N -1 3 359.289 2.208 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCSC3(CCC3)C2)c1 ZINC000834739299 680262282 /nfs/dbraw/zinc/26/22/82/680262282.db2.gz KYQZCSZRLKXPGO-LBPRGKRZSA-N -1 3 370.496 2.312 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000836885977 680527656 /nfs/dbraw/zinc/52/76/56/680527656.db2.gz RVQJZZQZUORUQQ-GDBMZVCRSA-N -1 3 350.440 2.024 20 10 FECDHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)c(N3CCOCC3)c(F)c2)o1 ZINC000841537647 680894028 /nfs/dbraw/zinc/89/40/28/680894028.db2.gz SVJAKBDEBYPNTI-UHFFFAOYSA-N -1 3 372.393 2.181 20 10 FECDHM CN(CC(=O)NCc1ccco1)Cc1cc(Br)ccc1[O-] ZINC000768194140 680940302 /nfs/dbraw/zinc/94/03/02/680940302.db2.gz PMUOZJGKGUBNLK-UHFFFAOYSA-N -1 3 353.216 2.496 20 10 FECDHM [O-]c1c(Br)cccc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000769330394 680978448 /nfs/dbraw/zinc/97/84/48/680978448.db2.gz WLQJLWTZJILCJV-HUUCEWRRSA-N -1 3 355.276 2.186 20 10 FECDHM CCCN(C[C@H]1CCCCO1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769774446 680994553 /nfs/dbraw/zinc/99/45/53/680994553.db2.gz DQETVSMXGUWZFI-CQSZACIVSA-N -1 3 370.471 2.185 20 10 FECDHM C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncc(C(=O)[O-])s1 ZINC000843306550 680997399 /nfs/dbraw/zinc/99/73/99/680997399.db2.gz UJHXZGSCXRPDAI-ZDUSSCGKSA-N -1 3 360.483 2.444 20 10 FECDHM CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccs1 ZINC000769872802 680998049 /nfs/dbraw/zinc/99/80/49/680998049.db2.gz PJRBAXUQJJBKBX-UHFFFAOYSA-N -1 3 354.453 2.490 20 10 FECDHM Cc1ccsc1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000773674358 681152330 /nfs/dbraw/zinc/15/23/30/681152330.db2.gz RTDCRSTWJNCPBS-UHFFFAOYSA-N -1 3 354.453 2.106 20 10 FECDHM COCCO[C@@H]1C[C@H](CO)CN(Cc2cccc(Br)c2[O-])C1 ZINC000775204516 681284930 /nfs/dbraw/zinc/28/49/30/681284930.db2.gz ORJWNAWUZBHYKA-GXTWGEPZSA-N -1 3 374.275 2.001 20 10 FECDHM Cc1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c(C)c(C)c1O ZINC000775287061 681292513 /nfs/dbraw/zinc/29/25/13/681292513.db2.gz CNJKHDZOHKJEHV-UHFFFAOYSA-N -1 3 359.411 2.094 20 10 FECDHM COc1cc(OC)c(S(=O)(=O)NCc2c([O-])cccc2F)c(OC)c1 ZINC000921452501 683473130 /nfs/dbraw/zinc/47/31/30/683473130.db2.gz QZHNOHLNUVDPGU-UHFFFAOYSA-N -1 3 371.386 2.036 20 10 FECDHM O=S1(=O)C[C@@H]2CCN(Cc3cc(Br)ccc3[O-])C[C@@H]2C1 ZINC000877791913 686462827 /nfs/dbraw/zinc/46/28/27/686462827.db2.gz KXJQRLQMPLPDLD-CMPLNLGQSA-N -1 3 360.273 2.021 20 10 FECDHM COc1c([O-])c(CN2CC[C@@](CO)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895837955 689778594 /nfs/dbraw/zinc/77/85/94/689778594.db2.gz YTOFQKHEDGIXTO-CYBMUJFWSA-N -1 3 350.293 2.056 20 10 FECDHM C[C@H](S[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(=O)[O-] ZINC000899855162 690428914 /nfs/dbraw/zinc/42/89/14/690428914.db2.gz SPXHUIBCYAZKNW-XEZPLFJOSA-N -1 3 367.515 2.066 20 10 FECDHM COc1cc2c(cc1OC)CN(C(=O)CN(C)Cc1ccccc1[O-])CC2 ZINC000109773470 543338673 /nfs/dbraw/zinc/33/86/73/543338673.db2.gz NZPVPHFQWRPCBQ-UHFFFAOYSA-N -1 3 370.449 2.426 20 10 FECDHM COC(=O)c1sc2[n-]c(CN(C)Cc3ccccc3O)nc(=O)c2c1C ZINC000109769478 543338387 /nfs/dbraw/zinc/33/83/87/543338387.db2.gz RMJGYIQTBKIGDL-UHFFFAOYSA-N -1 3 373.434 2.417 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@H]1COC(=O)C1 ZINC000128923029 544080493 /nfs/dbraw/zinc/08/04/93/544080493.db2.gz MNRVSIXLNBOXHP-JTQLQIEISA-N -1 3 356.216 2.456 20 10 FECDHM Cc1cc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n[nH]1 ZINC000134259547 544300406 /nfs/dbraw/zinc/30/04/06/544300406.db2.gz FFIZRYFZMPUHBM-OAHLLOKOSA-N -1 3 362.861 2.400 20 10 FECDHM Cc1cc(CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[nH]n1 ZINC000134259547 544300409 /nfs/dbraw/zinc/30/04/09/544300409.db2.gz FFIZRYFZMPUHBM-OAHLLOKOSA-N -1 3 362.861 2.400 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCC(=O)N(C)C ZINC000174028103 546290207 /nfs/dbraw/zinc/29/02/07/546290207.db2.gz ZCZGDRTWZSBQGW-UHFFFAOYSA-N -1 3 372.263 2.165 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccccn3)CC2)c1[O-] ZINC000175578383 546314622 /nfs/dbraw/zinc/31/46/22/546314622.db2.gz WNSRPFSASUGLBE-UHFFFAOYSA-N -1 3 357.385 2.087 20 10 FECDHM Cc1ccc(C)n1-c1ccsc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179100098 546899081 /nfs/dbraw/zinc/89/90/81/546899081.db2.gz QMCVKXGUOFKDHD-UHFFFAOYSA-N -1 3 354.435 2.437 20 10 FECDHM COc1cc(Br)cc(CN2CCCN(C(C)=O)CC2)c1[O-] ZINC000179810684 547015761 /nfs/dbraw/zinc/01/57/61/547015761.db2.gz WZYCGDRRLSXXMZ-UHFFFAOYSA-N -1 3 357.248 2.218 20 10 FECDHM O=C(NCCc1cccs1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192992147 548377977 /nfs/dbraw/zinc/37/79/77/548377977.db2.gz JBTWBKZADWBVCX-UHFFFAOYSA-N -1 3 374.462 2.370 20 10 FECDHM CC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2[O-])c2ccc(F)cc2C1 ZINC000193164840 548381892 /nfs/dbraw/zinc/38/18/92/548381892.db2.gz UWTMWYGHWRFCCT-INIZCTEOSA-N -1 3 358.369 2.460 20 10 FECDHM CCOCCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1 ZINC000269069148 550151237 /nfs/dbraw/zinc/15/12/37/550151237.db2.gz SMCQKBGNKWTNAA-UHFFFAOYSA-N -1 3 370.471 2.090 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)NC(=O)OC ZINC000270710122 550299049 /nfs/dbraw/zinc/29/90/49/550299049.db2.gz WTPHXPVQYDSNOW-VIFPVBQESA-N -1 3 359.220 2.248 20 10 FECDHM Cc1cnc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000271449946 550376265 /nfs/dbraw/zinc/37/62/65/550376265.db2.gz WYVGKOZZCWBPKY-UHFFFAOYSA-N -1 3 369.468 2.194 20 10 FECDHM C[C@H](NCc1ccc(N2CCOCC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273438473 550498623 /nfs/dbraw/zinc/49/86/23/550498623.db2.gz XTMILSIPKAMNAF-ZDUSSCGKSA-N -1 3 358.398 2.383 20 10 FECDHM C[C@@H]([NH2+]CCCNC(=O)c1cccc([O-])c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273572779 550503807 /nfs/dbraw/zinc/50/38/07/550503807.db2.gz LCQVLUFBCIVQPI-GFCCVEGCSA-N -1 3 359.382 2.477 20 10 FECDHM C[C@H]1CN(c2ccc(CNc3nc4nncc-4c(O)[n-]3)cc2F)C[C@H](C)O1 ZINC000274682991 550549023 /nfs/dbraw/zinc/54/90/23/550549023.db2.gz OHMFKHUWRBZMQM-QWRGUYRKSA-N -1 3 372.404 2.423 20 10 FECDHM COC(=O)[C@@H](NCc1cc2c(cc1[O-])OCO2)c1ccc2c(c1)CCO2 ZINC000275168937 550571007 /nfs/dbraw/zinc/57/10/07/550571007.db2.gz WOBLGDQZJXAAEP-SFHVURJKSA-N -1 3 357.362 2.060 20 10 FECDHM COc1c([O-])c(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133788 550752834 /nfs/dbraw/zinc/75/28/34/550752834.db2.gz CPNMZIZBOLWZHY-HZMBPMFUSA-N -1 3 364.320 2.444 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cc1ccnn1C ZINC000278669075 550809492 /nfs/dbraw/zinc/80/94/92/550809492.db2.gz SQAGOMLEBSSYRD-UHFFFAOYSA-N -1 3 352.232 2.479 20 10 FECDHM COc1c([O-])c(CN[C@H]2CCN(Cc3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000278870701 550831134 /nfs/dbraw/zinc/83/11/34/550831134.db2.gz MVRXYQLCZDQGBT-HNNXBMFYSA-N -1 3 371.393 2.200 20 10 FECDHM O=C(Nc1ccccc1O)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000279134609 550857573 /nfs/dbraw/zinc/85/75/73/550857573.db2.gz NFQWWHROCXHVEC-UHFFFAOYSA-N -1 3 356.378 2.294 20 10 FECDHM COC[C@H](CO)NCc1cc(Br)cc(Br)c1[O-] ZINC000279666464 550914494 /nfs/dbraw/zinc/91/44/94/550914494.db2.gz HAJREKBOBSBYOH-VIFPVBQESA-N -1 3 369.053 2.014 20 10 FECDHM C[C@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285780422 551809792 /nfs/dbraw/zinc/80/97/92/551809792.db2.gz UPZIIMCMIQMTKO-IINYFYTJSA-N -1 3 363.336 2.214 20 10 FECDHM COc1c([O-])c(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273718 552293727 /nfs/dbraw/zinc/29/37/27/552293727.db2.gz GNKWEHWKYXXUKY-GHMZBOCLSA-N -1 3 364.320 2.302 20 10 FECDHM Cc1ccc(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)c([O-])c1O ZINC000291816342 552664521 /nfs/dbraw/zinc/66/45/21/552664521.db2.gz RSPCGDFRUSUAFT-CYBMUJFWSA-N -1 3 358.394 2.147 20 10 FECDHM COC(=O)CN(Cc1ccnc(OC)n1)Cc1cc(Cl)ccc1[O-] ZINC000294665311 552925135 /nfs/dbraw/zinc/92/51/35/552925135.db2.gz CJMLNLDQZGHMOV-UHFFFAOYSA-N -1 3 351.790 2.019 20 10 FECDHM COCCCN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000294951384 552946877 /nfs/dbraw/zinc/94/68/77/552946877.db2.gz QEERCAWBBAFJEP-LBPRGKRZSA-N -1 3 365.854 2.210 20 10 FECDHM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000361065710 554902925 /nfs/dbraw/zinc/90/29/25/554902925.db2.gz IANDFMORQDVDPL-GOSISDBHSA-N -1 3 354.385 2.161 20 10 FECDHM COc1c([O-])c(CN2CCOC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000365829213 555677497 /nfs/dbraw/zinc/67/74/97/555677497.db2.gz WZTGTLBEVDQHKQ-UHFFFAOYSA-N -1 3 352.387 2.081 20 10 FECDHM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cccc(O)c3[O-])C2)c1 ZINC000370132396 556789675 /nfs/dbraw/zinc/78/96/75/556789675.db2.gz NXIINDSJCGHFAN-LBPRGKRZSA-N -1 3 358.394 2.124 20 10 FECDHM COC(=O)c1cn([C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000372030840 557362010 /nfs/dbraw/zinc/36/20/10/557362010.db2.gz KGDGXDFOMFLHIU-ZDUSSCGKSA-N -1 3 350.806 2.261 20 10 FECDHM Cc1ccc(C(=O)NCc2nnc(-c3ccncc3F)s2)c([O-])c1O ZINC000373654159 557731959 /nfs/dbraw/zinc/73/19/59/557731959.db2.gz CZIBDIKIQJAQSF-UHFFFAOYSA-N -1 3 360.370 2.389 20 10 FECDHM COc1c([O-])c(CN2C[C@H](C)NC(=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000378120483 558485469 /nfs/dbraw/zinc/48/54/69/558485469.db2.gz HYGWVOUVCFIHAZ-NSHDSACASA-N -1 3 357.366 2.448 20 10 FECDHM CC(=O)NCC[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC000819770494 597704011 /nfs/dbraw/zinc/70/40/11/597704011.db2.gz WBCAQPTTYUTBAI-AWEZNQCLSA-N -1 3 356.422 2.470 20 10 FECDHM CC(=O)NCC[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC000819770494 597704012 /nfs/dbraw/zinc/70/40/12/597704012.db2.gz WBCAQPTTYUTBAI-AWEZNQCLSA-N -1 3 356.422 2.470 20 10 FECDHM COc1cccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1O ZINC000737132127 598267769 /nfs/dbraw/zinc/26/77/69/598267769.db2.gz WHFVHHVSONGUAR-UHFFFAOYSA-N -1 3 358.333 2.042 20 10 FECDHM COc1cccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1O ZINC000737132127 598267771 /nfs/dbraw/zinc/26/77/71/598267771.db2.gz WHFVHHVSONGUAR-UHFFFAOYSA-N -1 3 358.333 2.042 20 10 FECDHM Cc1cc(C(=O)NC2=NCCS2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234061 598610575 /nfs/dbraw/zinc/61/05/75/598610575.db2.gz JJXWZCIOIWKOTF-UHFFFAOYSA-N -1 3 367.438 2.107 20 10 FECDHM CCC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1ccccc1[O-] ZINC000737020430 599770274 /nfs/dbraw/zinc/77/02/74/599770274.db2.gz ALLGUFHENUEYQL-BOPFTXTBSA-N -1 3 364.467 2.496 20 10 FECDHM CCC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1ccccc1[O-] ZINC000737020430 599770277 /nfs/dbraw/zinc/77/02/77/599770277.db2.gz ALLGUFHENUEYQL-BOPFTXTBSA-N -1 3 364.467 2.496 20 10 FECDHM CN(Cc1c(O)c(C(=O)[O-])cc2ccccc21)C[C@@H]1CCS(=O)(=O)C1 ZINC000737454212 600706194 /nfs/dbraw/zinc/70/61/94/600706194.db2.gz DKSRRHUSUITEGZ-LBPRGKRZSA-N -1 3 363.435 2.110 20 10 FECDHM OCC1CCN(c2ccc(CNc3cnccc3-c3nnn[n-]3)cc2)CC1 ZINC000826509517 607989312 /nfs/dbraw/zinc/98/93/12/607989312.db2.gz XUMDHDNLSJAAFV-UHFFFAOYSA-N -1 3 365.441 2.083 20 10 FECDHM OCC1CCN(c2ccc(CNc3cnccc3-c3nn[n-]n3)cc2)CC1 ZINC000826509517 607989313 /nfs/dbraw/zinc/98/93/13/607989313.db2.gz XUMDHDNLSJAAFV-UHFFFAOYSA-N -1 3 365.441 2.083 20 10 FECDHM CCN(C(=O)C=Cc1cnccn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825368034 608345029 /nfs/dbraw/zinc/34/50/29/608345029.db2.gz ZLFYXKFXKRNADW-ZZXKWVIFSA-N -1 3 355.789 2.376 20 10 FECDHM CCN(C(=O)C=Cc1cnccn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825368034 608345030 /nfs/dbraw/zinc/34/50/30/608345030.db2.gz ZLFYXKFXKRNADW-ZZXKWVIFSA-N -1 3 355.789 2.376 20 10 FECDHM CN(C)c1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)cc1F ZINC000825879932 609466764 /nfs/dbraw/zinc/46/67/64/609466764.db2.gz SUNARTHCFQMOQK-UHFFFAOYSA-N -1 3 352.377 2.332 20 10 FECDHM CN(C)c1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)cc1F ZINC000825879932 609466765 /nfs/dbraw/zinc/46/67/65/609466765.db2.gz SUNARTHCFQMOQK-UHFFFAOYSA-N -1 3 352.377 2.332 20 10 FECDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccccc2S(N)(=O)=O)c1[O-] ZINC000814655017 674872784 /nfs/dbraw/zinc/87/27/84/674872784.db2.gz QVFWFXVKZYOFPF-UHFFFAOYSA-N -1 3 366.414 2.013 20 10 FECDHM COC(=O)c1cn([C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C2)nn1 ZINC000816569707 675065785 /nfs/dbraw/zinc/06/57/85/675065785.db2.gz UJUJKFQXTOBOIU-JTQLQIEISA-N -1 3 354.769 2.010 20 10 FECDHM CCN(Cc1cccc(Br)c1[O-])[C@H](C)CS(C)(=O)=O ZINC000093390907 670751889 /nfs/dbraw/zinc/75/18/89/670751889.db2.gz OHFDXBHCPPBFFZ-SNVBAGLBSA-N -1 3 350.278 2.410 20 10 FECDHM CCn1nc2c(cc1=O)CN(Cc1ccc(Br)cc1[O-])CC2 ZINC000824888458 675627046 /nfs/dbraw/zinc/62/70/46/675627046.db2.gz DAFBVEHXBTYMLF-UHFFFAOYSA-N -1 3 364.243 2.290 20 10 FECDHM Cc1cc([O-])c(CN[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1Cl ZINC000825883290 675672695 /nfs/dbraw/zinc/67/26/95/675672695.db2.gz VCMUFRJIOFQPEI-GFCCVEGCSA-N -1 3 374.812 2.266 20 10 FECDHM CS(=O)(=O)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H]1C(F)(F)F ZINC000826893688 675713733 /nfs/dbraw/zinc/71/37/33/675713733.db2.gz AAFYEKSEKKYDOR-ZYHUDNBSSA-N -1 3 357.781 2.453 20 10 FECDHM CCN(CCC(F)(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000764073150 680799380 /nfs/dbraw/zinc/79/93/80/680799380.db2.gz 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YBGHVUCXPRCBRP-UHFFFAOYSA-N -1 3 371.260 2.467 20 10 FECDHM CCN(CC(=O)NC[C@H]1CCCO1)Cc1cc(Br)ccc1[O-] ZINC000174422970 546296137 /nfs/dbraw/zinc/29/61/37/546296137.db2.gz UWKJVPUQPXQFGG-CQSZACIVSA-N -1 3 371.275 2.272 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCn1ccnn1 ZINC000178720696 546838325 /nfs/dbraw/zinc/83/83/25/546838325.db2.gz HHFAGNODEXKSNY-UHFFFAOYSA-N -1 3 353.220 2.185 20 10 FECDHM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(O)cc1[O-] ZINC000179507906 546967742 /nfs/dbraw/zinc/96/77/42/546967742.db2.gz XBDDZZPBJQSBNF-UHFFFAOYSA-N -1 3 356.422 2.237 20 10 FECDHM COC(=O)[C@H]1C[C@H](OC)CN1Cc1cc(Br)cc(C)c1[O-] ZINC000180234066 547070787 /nfs/dbraw/zinc/07/07/87/547070787.db2.gz IMGUIDQAZFDJDM-QWHCGFSZSA-N -1 3 358.232 2.225 20 10 FECDHM CCN1CCCN(Cc2cc(Br)cc(OC)c2[O-])CC1=O ZINC000191544147 548346859 /nfs/dbraw/zinc/34/68/59/548346859.db2.gz OVVATJJEFKLXIO-UHFFFAOYSA-N -1 3 357.248 2.218 20 10 FECDHM O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000193082984 548378656 /nfs/dbraw/zinc/37/86/56/548378656.db2.gz QOZLDTABLCMRDP-UHFFFAOYSA-N -1 3 354.406 2.380 20 10 FECDHM CCOC(=O)CSc1nnc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000267623559 550033600 /nfs/dbraw/zinc/03/36/00/550033600.db2.gz VIRGIJVBGWYORM-UHFFFAOYSA-N -1 3 369.424 2.165 20 10 FECDHM CCSCC[C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271217679 550354548 /nfs/dbraw/zinc/35/45/48/550354548.db2.gz BPYVERWUHHTNAK-NSHDSACASA-N -1 3 360.501 2.367 20 10 FECDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000271395211 550371816 /nfs/dbraw/zinc/37/18/16/550371816.db2.gz MSCZFRXZHPGFAT-HUUCEWRRSA-N -1 3 370.471 2.039 20 10 FECDHM CO[C@@]1(C)C[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000271468546 550377867 /nfs/dbraw/zinc/37/78/67/550377867.db2.gz ZWFRXRNPEFPUGN-YOEHRIQHSA-N -1 3 370.471 2.039 20 10 FECDHM Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c([O-])c1O ZINC000272699304 550466054 /nfs/dbraw/zinc/46/60/54/550466054.db2.gz YBINTKYOHQMHRK-UHFFFAOYSA-N -1 3 355.394 2.358 20 10 FECDHM C[C@@H](N[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276932144 550612704 /nfs/dbraw/zinc/61/27/04/550612704.db2.gz OMPSEYRCTLKNTJ-QMTHXVAHSA-N -1 3 350.369 2.250 20 10 FECDHM COc1c([O-])c(CNc2ccc(N3CCOCC3)nc2C)ccc1[N+](=O)[O-] ZINC000278508610 550793674 /nfs/dbraw/zinc/79/36/74/550793674.db2.gz PJUJMESGOZVUJY-UHFFFAOYSA-N -1 3 374.397 2.461 20 10 FECDHM COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2Cc2cc(F)cc(C(C)=O)c2[O-])O1 ZINC000282484923 551235762 /nfs/dbraw/zinc/23/57/62/551235762.db2.gz PEIBIKSWUUJZQN-DBKYECNBSA-N -1 3 365.401 2.417 20 10 FECDHM COc1ccc(O)c(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000282804373 551272125 /nfs/dbraw/zinc/27/21/25/551272125.db2.gz NPANWOZIDQSJKL-UHFFFAOYSA-N -1 3 352.412 2.393 20 10 FECDHM O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000293887312 552865153 /nfs/dbraw/zinc/86/51/53/552865153.db2.gz DMEQTNHENIDMEY-UHFFFAOYSA-N -1 3 359.357 2.398 20 10 FECDHM O=C1[C@@H](N(Cc2ccccc2[O-])C[C@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473058 555114188 /nfs/dbraw/zinc/11/41/88/555114188.db2.gz XTWLQQCXANBEQQ-MOPGFXCFSA-N -1 3 374.481 2.153 20 10 FECDHM O=C(NC1CCN(c2nc3ccccc3[nH]2)CC1)c1cccc(O)c1[O-] ZINC000364828705 555409434 /nfs/dbraw/zinc/40/94/34/555409434.db2.gz GKIZYGUALKQOSR-UHFFFAOYSA-N -1 3 352.394 2.373 20 10 FECDHM Cc1cc([C@@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])no1 ZINC000367440753 556049041 /nfs/dbraw/zinc/04/90/41/556049041.db2.gz KLHZGDAANNCMBS-AWEZNQCLSA-N -1 3 365.411 2.037 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCc2n[nH]cc2C1 ZINC000372935454 557591656 /nfs/dbraw/zinc/59/16/56/557591656.db2.gz SBXORBAKEOATDZ-CYBMUJFWSA-N -1 3 360.801 2.090 20 10 FECDHM COc1c([O-])c(CN2CCC(Oc3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000373263477 557661530 /nfs/dbraw/zinc/66/15/30/557661530.db2.gz ICINNHDODBZJRM-UHFFFAOYSA-N -1 3 360.370 2.142 20 10 FECDHM COc1c([O-])c(CN2C[C@@H](NC(C)=O)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000377085354 558263023 /nfs/dbraw/zinc/26/30/23/558263023.db2.gz YIFSLROBLJHJHZ-HNNXBMFYSA-N -1 3 371.393 2.376 20 10 FECDHM COc1c([O-])c(CN2C[C@H](NC(C)=O)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000377085355 558263104 /nfs/dbraw/zinc/26/31/04/558263104.db2.gz YIFSLROBLJHJHZ-OAHLLOKOSA-N -1 3 371.393 2.376 20 10 FECDHM Cc1cc(Br)cc(CN2CCOC[C@@H]2c2ncon2)c1[O-] ZINC000378536317 558577447 /nfs/dbraw/zinc/57/74/47/558577447.db2.gz BWYZXPXKAPAZQS-GFCCVEGCSA-N -1 3 354.204 2.420 20 10 FECDHM Cc1nnc([C@@H](NC(=O)c2ccc(C)c(O)c2[O-])c2ccccc2)n1C ZINC000378562798 558584098 /nfs/dbraw/zinc/58/40/98/558584098.db2.gz WZAIJDHISGHFHB-HNNXBMFYSA-N -1 3 352.394 2.363 20 10 FECDHM Cc1cncn1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000528858731 562350559 /nfs/dbraw/zinc/35/05/59/562350559.db2.gz BHKGBLDJRAXVEA-INIZCTEOSA-N -1 3 362.861 2.331 20 10 FECDHM COc1cccc(CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000737130548 598264440 /nfs/dbraw/zinc/26/44/40/598264440.db2.gz GAVZXNGCOQZYJM-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM COc1cccc(CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000737130548 598264441 /nfs/dbraw/zinc/26/44/41/598264441.db2.gz GAVZXNGCOQZYJM-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM CN(Cc1ccccc1O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736828826 598328035 /nfs/dbraw/zinc/32/80/35/598328035.db2.gz OZOIVEOSRIGYJT-UHFFFAOYSA-N -1 3 356.361 2.053 20 10 FECDHM CN(Cc1ccccc1O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736828826 598328037 /nfs/dbraw/zinc/32/80/37/598328037.db2.gz OZOIVEOSRIGYJT-UHFFFAOYSA-N -1 3 356.361 2.053 20 10 FECDHM Clc1cc(-c2nnn[n-]2)cnc1NCc1ccc(N2CCOCC2)cc1 ZINC000737559395 598391293 /nfs/dbraw/zinc/39/12/93/598391293.db2.gz VZOWNUVJCWILKU-UHFFFAOYSA-N -1 3 371.832 2.364 20 10 FECDHM Clc1cc(-c2nn[n-]n2)cnc1NCc1ccc(N2CCOCC2)cc1 ZINC000737559395 598391295 /nfs/dbraw/zinc/39/12/95/598391295.db2.gz VZOWNUVJCWILKU-UHFFFAOYSA-N -1 3 371.832 2.364 20 10 FECDHM O=C(NCc1c(O)ccc2c1CCCC2)c1sccc1-c1nnn[n-]1 ZINC000823229252 599489143 /nfs/dbraw/zinc/48/91/43/599489143.db2.gz JGDBCMUQMAKNBT-UHFFFAOYSA-N -1 3 355.423 2.443 20 10 FECDHM O=C(NCc1c(O)ccc2c1CCCC2)c1sccc1-c1nn[n-]n1 ZINC000823229252 599489145 /nfs/dbraw/zinc/48/91/45/599489145.db2.gz JGDBCMUQMAKNBT-UHFFFAOYSA-N -1 3 355.423 2.443 20 10 FECDHM CC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820854825 599496672 /nfs/dbraw/zinc/49/66/72/599496672.db2.gz YYUXKDPJKNABDV-LJQANCHMSA-N -1 3 368.441 2.165 20 10 FECDHM COc1ccc(N(C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000826209348 607753959 /nfs/dbraw/zinc/75/39/59/607753959.db2.gz YIBGECUTHQLXEF-INIZCTEOSA-N -1 3 355.398 2.054 20 10 FECDHM COc1ccc(N(C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000826209348 607753960 /nfs/dbraw/zinc/75/39/60/607753960.db2.gz YIBGECUTHQLXEF-INIZCTEOSA-N -1 3 355.398 2.054 20 10 FECDHM c1cc(-c2nnn[n-]2)c(NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000826513027 607840909 /nfs/dbraw/zinc/84/09/09/607840909.db2.gz XLRYIFDJZRHEDP-UHFFFAOYSA-N -1 3 353.455 2.427 20 10 FECDHM c1cc(-c2nn[n-]n2)c(NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000826513027 607840910 /nfs/dbraw/zinc/84/09/10/607840910.db2.gz XLRYIFDJZRHEDP-UHFFFAOYSA-N -1 3 353.455 2.427 20 10 FECDHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000826468925 609200118 /nfs/dbraw/zinc/20/01/18/609200118.db2.gz NGHHRZCITJOMJI-UHFFFAOYSA-N -1 3 364.365 2.336 20 10 FECDHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000826468925 609200120 /nfs/dbraw/zinc/20/01/20/609200120.db2.gz NGHHRZCITJOMJI-UHFFFAOYSA-N -1 3 364.365 2.336 20 10 FECDHM CCn1nncc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000815835431 674976394 /nfs/dbraw/zinc/97/63/94/674976394.db2.gz TVQJSBIRJDIOAB-AWEZNQCLSA-N -1 3 363.849 2.051 20 10 FECDHM [O-]c1c(Br)cccc1CN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000816641715 675069990 /nfs/dbraw/zinc/06/99/90/675069990.db2.gz CVGWQCMWQQBAQJ-CYBMUJFWSA-N -1 3 367.247 2.076 20 10 FECDHM COC(=O)CN(CC(=O)N1CCC[C@@H](C)C1)Cc1cc(Cl)ccc1[O-] ZINC000121232776 671945155 /nfs/dbraw/zinc/94/51/55/671945155.db2.gz ULBFZPCOLKQDJD-CYBMUJFWSA-N -1 3 368.861 2.279 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc(F)cc3C2)c1 ZINC000162603212 672305198 /nfs/dbraw/zinc/30/51/98/672305198.db2.gz RFWDORVUDGGZSL-UHFFFAOYSA-N -1 3 364.398 2.101 20 10 FECDHM COC(=O)C(C)(C)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825562839 675658811 /nfs/dbraw/zinc/65/88/11/675658811.db2.gz QWUKDIJXOVESDG-UHFFFAOYSA-N -1 3 371.275 2.224 20 10 FECDHM COc1ccc(O)c(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000751414786 680172333 /nfs/dbraw/zinc/17/23/33/680172333.db2.gz FYSBFCWBFFMSGQ-UHFFFAOYSA-N -1 3 352.368 2.096 20 10 FECDHM COc1ccc(N2CCC([N-]S(=O)(=O)c3cnc(C)s3)CC2)cc1 ZINC000754802245 680379679 /nfs/dbraw/zinc/37/96/79/680379679.db2.gz ATEQEOYIDSIAJD-UHFFFAOYSA-N -1 3 367.496 2.407 20 10 FECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(=O)c1ccc[nH]1 ZINC000836191841 680433747 /nfs/dbraw/zinc/43/37/47/680433747.db2.gz KBGYQHRIOMYYLV-CQSZACIVSA-N -1 3 361.829 2.337 20 10 FECDHM C[C@H](NCc1nnnn1CC1CC1)c1ccc(Br)cc1[O-] ZINC000769989193 681002282 /nfs/dbraw/zinc/00/22/82/681002282.db2.gz QEASZOMVRGPQBK-VIFPVBQESA-N -1 3 352.236 2.402 20 10 FECDHM Cc1ccc(C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)c([O-])c1O ZINC000770504898 681018405 /nfs/dbraw/zinc/01/84/05/681018405.db2.gz IQOJVOAJSMHEIY-UHFFFAOYSA-N -1 3 353.371 2.342 20 10 FECDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)nc1 ZINC000845818283 681154818 /nfs/dbraw/zinc/15/48/18/681154818.db2.gz SMHHKQMOMTYISK-UHFFFAOYSA-N -1 3 362.411 2.069 20 10 FECDHM CCn1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000934941352 681661728 /nfs/dbraw/zinc/66/17/28/681661728.db2.gz WVFPEXICLDFCQO-CQSZACIVSA-N -1 3 363.849 2.051 20 10 FECDHM CSCC1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000855397405 682665363 /nfs/dbraw/zinc/66/53/63/682665363.db2.gz WOLLVYYCTXUJGH-UHFFFAOYSA-N -1 3 358.485 2.027 20 10 FECDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000790416365 682675278 /nfs/dbraw/zinc/67/52/78/682675278.db2.gz VGRYUPAWCFYMHL-UHFFFAOYSA-N -1 3 373.427 2.298 20 10 FECDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OC)c1 ZINC000790416421 682675288 /nfs/dbraw/zinc/67/52/88/682675288.db2.gz XZYCBNHFRBUHDN-UHFFFAOYSA-N -1 3 351.380 2.248 20 10 FECDHM CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790570830 682685744 /nfs/dbraw/zinc/68/57/44/682685744.db2.gz HLRTZJQIZRXSOA-GFCCVEGCSA-N -1 3 350.415 2.475 20 10 FECDHM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2O)c1 ZINC000795850143 683098192 /nfs/dbraw/zinc/09/81/92/683098192.db2.gz GQWUTMPNRGLRBY-UHFFFAOYSA-N -1 3 353.371 2.187 20 10 FECDHM Cc1ncc(S(=O)(=O)[N-]Cc2cc(Br)ccc2O)s1 ZINC000796190865 683138900 /nfs/dbraw/zinc/13/89/00/683138900.db2.gz LLVRSMCLKMHSOP-UHFFFAOYSA-N -1 3 363.258 2.398 20 10 FECDHM Cn1cc(N2CCN(Cc3c([O-])cccc3Br)CC2)cn1 ZINC000862245720 683557992 /nfs/dbraw/zinc/55/79/92/683557992.db2.gz VQPACIBQHBYGFZ-UHFFFAOYSA-N -1 3 351.248 2.210 20 10 FECDHM Cc1cc(N(C)C)ccc1C[C@@H](C)[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000867408909 684272175 /nfs/dbraw/zinc/27/21/75/684272175.db2.gz DRUMSSDYMABLJE-LLVKDONJSA-N -1 3 355.485 2.133 20 10 FECDHM CCCn1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])nn1 ZINC000876714784 686251375 /nfs/dbraw/zinc/25/13/75/686251375.db2.gz FINJOJBIYCSXGE-UHFFFAOYSA-N -1 3 352.822 2.222 20 10 FECDHM C[C@@H]1CN(CCCNC(=O)NCc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000891728279 689098072 /nfs/dbraw/zinc/09/80/72/689098072.db2.gz MJYBOWDEXKQAHU-BETUJISGSA-N -1 3 355.866 2.344 20 10 FECDHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc(Br)ccc1[O-] ZINC000093420072 542931428 /nfs/dbraw/zinc/93/14/28/542931428.db2.gz CXRYMYKROWGJSR-ZJUUUORDSA-N -1 3 350.278 2.408 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000093389941 542930231 /nfs/dbraw/zinc/93/02/31/542930231.db2.gz FFPMGRSCZFWAAN-JTQLQIEISA-N -1 3 350.278 2.410 20 10 FECDHM COC(=O)CN(CC(=O)N1CCCCC1)Cc1cc(Cl)ccc1[O-] ZINC000109779629 543338438 /nfs/dbraw/zinc/33/84/38/543338438.db2.gz MDJKDZPAVWSJRC-UHFFFAOYSA-N -1 3 354.834 2.033 20 10 FECDHM Cc1ccc(C[C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000132148100 544221007 /nfs/dbraw/zinc/22/10/07/544221007.db2.gz GVXWWJGHPCHNDI-JTQLQIEISA-N -1 3 368.480 2.495 20 10 FECDHM CCOCCOCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134261808 544300767 /nfs/dbraw/zinc/30/07/67/544300767.db2.gz LEBBTPGZZBHOLC-INIZCTEOSA-N -1 3 370.877 2.179 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000177296965 546589472 /nfs/dbraw/zinc/58/94/72/546589472.db2.gz QRJITJXDNYFONP-AWEZNQCLSA-N -1 3 352.862 2.402 20 10 FECDHM COc1ccc(CN2CCCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000186820358 548200277 /nfs/dbraw/zinc/20/02/77/548200277.db2.gz SEQUCSPOVWYNAX-UHFFFAOYSA-N -1 3 356.422 2.455 20 10 FECDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)[N-]c1cnns1 ZINC000191985609 548355133 /nfs/dbraw/zinc/35/51/33/548355133.db2.gz QWPHEBJRUOKVAR-UHFFFAOYSA-N -1 3 359.455 2.126 20 10 FECDHM Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c([O-])c1O ZINC000192217263 548361668 /nfs/dbraw/zinc/36/16/68/548361668.db2.gz WNLOUYFUOXTIBZ-HNNXBMFYSA-N -1 3 358.369 2.076 20 10 FECDHM CCCO[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000264490218 549996428 /nfs/dbraw/zinc/99/64/28/549996428.db2.gz NQCKADUKFQSMSW-CQSZACIVSA-N -1 3 370.471 2.185 20 10 FECDHM O=C(NCCCO)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000271053545 550335670 /nfs/dbraw/zinc/33/56/70/550335670.db2.gz RIPPMLUUNSOSIC-UHFFFAOYSA-N -1 3 361.269 2.410 20 10 FECDHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c([O-])c1O ZINC000273068725 550483497 /nfs/dbraw/zinc/48/34/97/550483497.db2.gz ZRIDDESNMVCLBG-HNNXBMFYSA-N -1 3 370.405 2.255 20 10 FECDHM COC(=O)c1cn(C2CCN(Cc3c([O-])cccc3Cl)CC2)nn1 ZINC000273700963 550508316 /nfs/dbraw/zinc/50/83/16/550508316.db2.gz DGRQNQHQIHRWRS-UHFFFAOYSA-N -1 3 350.806 2.261 20 10 FECDHM C[C@H](NCc1cccc(N2CCOCC2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000274730158 550550754 /nfs/dbraw/zinc/55/07/54/550550754.db2.gz BPQFOUBGLCIXQX-ZDUSSCGKSA-N -1 3 358.398 2.383 20 10 FECDHM C[C@H](CO[C@@H]1CCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277181802 550640715 /nfs/dbraw/zinc/64/07/15/550640715.db2.gz DWJBPPPQTIIDMO-BXUZGUMPSA-N -1 3 368.817 2.004 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1[O-] ZINC000277910859 550728095 /nfs/dbraw/zinc/72/80/95/550728095.db2.gz XHTXNAOAXJIPPF-YOEHRIQHSA-N -1 3 363.845 2.190 20 10 FECDHM COc1c([O-])c(CNCc2ccc(S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000278627304 550805753 /nfs/dbraw/zinc/80/57/53/550805753.db2.gz GJOVTIZVLJFBGY-UHFFFAOYSA-N -1 3 366.395 2.002 20 10 FECDHM COc1cc(CN2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc(OC)c1 ZINC000279092458 550853164 /nfs/dbraw/zinc/85/31/64/550853164.db2.gz GJDMWNZTWFIFMU-UHFFFAOYSA-N -1 3 372.421 2.073 20 10 FECDHM CCCOc1ccc(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c([O-])c1 ZINC000279474135 550894233 /nfs/dbraw/zinc/89/42/33/550894233.db2.gz SNJVTNUOHRCECB-INIZCTEOSA-N -1 3 368.499 2.181 20 10 FECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000280313025 550979577 /nfs/dbraw/zinc/97/95/77/550979577.db2.gz XXUZLGRCSDKXLD-GFCCVEGCSA-N -1 3 370.405 2.246 20 10 FECDHM COc1c([O-])c(CN2C[C@H](C)OC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000280406462 550990256 /nfs/dbraw/zinc/99/02/56/550990256.db2.gz HOFMQLGSHPNTGP-LBPRGKRZSA-N -1 3 352.387 2.079 20 10 FECDHM COc1ccc(N2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)cc1 ZINC000282081648 551178093 /nfs/dbraw/zinc/17/80/93/551178093.db2.gz OCBKJFCUBRSQIR-UHFFFAOYSA-N -1 3 355.373 2.068 20 10 FECDHM COc1ccc(N2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)cc1 ZINC000282081648 551178094 /nfs/dbraw/zinc/17/80/94/551178094.db2.gz OCBKJFCUBRSQIR-UHFFFAOYSA-N -1 3 355.373 2.068 20 10 FECDHM COc1ccc(N2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)cc1 ZINC000282081648 551178096 /nfs/dbraw/zinc/17/80/96/551178096.db2.gz OCBKJFCUBRSQIR-UHFFFAOYSA-N -1 3 355.373 2.068 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCC(F)(F)C2)c1 ZINC000282258146 551202663 /nfs/dbraw/zinc/20/26/63/551202663.db2.gz OVFVEJBQAFBNMB-JTQLQIEISA-N -1 3 362.398 2.319 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1c(C)nn(C)c1C ZINC000283956883 551457106 /nfs/dbraw/zinc/45/71/06/551457106.db2.gz ZVWNZQCAFCCEFB-UHFFFAOYSA-N -1 3 365.817 2.211 20 10 FECDHM O=C([C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)N1CCCC1 ZINC000290447521 552480553 /nfs/dbraw/zinc/48/05/53/552480553.db2.gz MFRXTSJTURAKQY-NSHDSACASA-N -1 3 353.806 2.398 20 10 FECDHM COC(=O)c1cn(C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)nn1 ZINC000293535203 552833078 /nfs/dbraw/zinc/83/30/78/552833078.db2.gz FIYKWNWTSZDIQJ-UHFFFAOYSA-N -1 3 368.796 2.400 20 10 FECDHM COC(=O)c1cn([C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)nn1 ZINC000364106466 555250847 /nfs/dbraw/zinc/25/08/47/555250847.db2.gz DFDJFRMOHJRFNN-GFCCVEGCSA-N -1 3 350.806 2.261 20 10 FECDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C(F)F)C1 ZINC000366474132 555854179 /nfs/dbraw/zinc/85/41/79/555854179.db2.gz OBFOSLCMJCVYJH-LLVKDONJSA-N -1 3 372.368 2.424 20 10 FECDHM Cc1nccc(CN2CCC[C@H](N[C@@H](C)c3ccc(F)cc3[O-])C2=O)n1 ZINC000366683201 555907967 /nfs/dbraw/zinc/90/79/67/555907967.db2.gz KECZLZVLRXMDNL-SJCJKPOMSA-N -1 3 358.417 2.472 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1[O-] ZINC000375507581 558039835 /nfs/dbraw/zinc/03/98/35/558039835.db2.gz XHNAVEZUMWOFLL-VXGBXAGGSA-N -1 3 364.751 2.344 20 10 FECDHM O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cccc(O)c1[O-] ZINC000376418263 558170497 /nfs/dbraw/zinc/17/04/97/558170497.db2.gz BLNVVMQLXLNILM-UHFFFAOYSA-N -1 3 363.801 2.114 20 10 FECDHM CC(C)(C)c1ncc2c(n1)CCN(Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000530103258 562398240 /nfs/dbraw/zinc/39/82/40/562398240.db2.gz RMPAXBWTCVUJKZ-QGZVFWFLSA-N -1 3 355.438 2.464 20 10 FECDHM CNC(=O)NC[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000530104772 562398479 /nfs/dbraw/zinc/39/84/79/562398479.db2.gz OVVVBEWZMFDJPE-CQSZACIVSA-N -1 3 369.421 2.421 20 10 FECDHM Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1 ZINC000737329408 598382080 /nfs/dbraw/zinc/38/20/80/598382080.db2.gz JOHSTMKMYYINHZ-UHFFFAOYSA-N -1 3 359.393 2.343 20 10 FECDHM Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1 ZINC000737329408 598382081 /nfs/dbraw/zinc/38/20/81/598382081.db2.gz JOHSTMKMYYINHZ-UHFFFAOYSA-N -1 3 359.393 2.343 20 10 FECDHM Cc1cc(C(=O)Nc2ccn(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238312 598611152 /nfs/dbraw/zinc/61/11/52/598611152.db2.gz KEPRLLSSQWFQKO-UHFFFAOYSA-N -1 3 362.397 2.260 20 10 FECDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000823078165 599489063 /nfs/dbraw/zinc/48/90/63/599489063.db2.gz HBMPOBOBQKPCSL-UHFFFAOYSA-N -1 3 363.421 2.310 20 10 FECDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000823078165 599489065 /nfs/dbraw/zinc/48/90/65/599489065.db2.gz HBMPOBOBQKPCSL-UHFFFAOYSA-N -1 3 363.421 2.310 20 10 FECDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812898 607431540 /nfs/dbraw/zinc/43/15/40/607431540.db2.gz XBEJFJNDSKJHKS-DHZHZOJOSA-N -1 3 357.377 2.486 20 10 FECDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812898 607431542 /nfs/dbraw/zinc/43/15/42/607431542.db2.gz XBEJFJNDSKJHKS-DHZHZOJOSA-N -1 3 357.377 2.486 20 10 FECDHM CN1CCN(C(=O)C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC000809733072 674507811 /nfs/dbraw/zinc/50/78/11/674507811.db2.gz UWTHONNLCMSQIK-UHFFFAOYSA-N -1 3 369.868 2.171 20 10 FECDHM O=C([O-])N1CCC[C@H]1C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000834108477 605500915 /nfs/dbraw/zinc/50/09/15/605500915.db2.gz QPIIQEYRRRMUIH-DOTOQJQBSA-N -1 3 362.426 2.172 20 10 FECDHM CN1CCCc2cc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)ccc21 ZINC000821624921 606500715 /nfs/dbraw/zinc/50/07/15/606500715.db2.gz AMRBJWQNECCXKU-UHFFFAOYSA-N -1 3 354.439 2.241 20 10 FECDHM CN1CCCc2cc(CNC(=O)c3cc(-c4nn[n-]n4)cs3)ccc21 ZINC000821624921 606500716 /nfs/dbraw/zinc/50/07/16/606500716.db2.gz AMRBJWQNECCXKU-UHFFFAOYSA-N -1 3 354.439 2.241 20 10 FECDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000024103222 670052431 /nfs/dbraw/zinc/05/24/31/670052431.db2.gz BQMCGSLTKBHZML-UHFFFAOYSA-N -1 3 362.379 2.137 20 10 FECDHM CCS[C@@H]1CCCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000737893253 673586353 /nfs/dbraw/zinc/58/63/53/673586353.db2.gz BVXZICSWLCJOQD-GFCCVEGCSA-N -1 3 350.444 2.241 20 10 FECDHM CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824555019 675610045 /nfs/dbraw/zinc/61/00/45/675610045.db2.gz BDCLPALIVHTLKW-CQSZACIVSA-N -1 3 353.894 2.386 20 10 FECDHM CN(C)C(=O)N[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000825278764 675644712 /nfs/dbraw/zinc/64/47/12/675644712.db2.gz IFODVVFGQHOGHK-LBPRGKRZSA-N -1 3 356.264 2.390 20 10 FECDHM COCc1nc([C@@H]2COCCN2Cc2cc(Cl)c(C)cc2[O-])no1 ZINC000825461824 675654110 /nfs/dbraw/zinc/65/41/10/675654110.db2.gz ORAMBUXNFRHLMO-ZDUSSCGKSA-N -1 3 353.806 2.457 20 10 FECDHM Cc1nc([C@@H]2COCCN2Cc2ccc(Br)cc2[O-])no1 ZINC000825462026 675654186 /nfs/dbraw/zinc/65/41/86/675654186.db2.gz XCOOMQYXYDGXLH-LBPRGKRZSA-N -1 3 354.204 2.420 20 10 FECDHM [O-]c1c(Br)cccc1CNc1ccnc(N2CCOCC2)n1 ZINC000764934789 680824743 /nfs/dbraw/zinc/82/47/43/680824743.db2.gz LWPSERZBICFCGW-UHFFFAOYSA-N -1 3 365.231 2.393 20 10 FECDHM Cc1cc(Br)c([O-])c(C[NH2+]C2CCN(CC(=O)[O-])CC2)c1 ZINC000874049689 685279807 /nfs/dbraw/zinc/27/98/07/685279807.db2.gz JNIXJYFCKKKTDO-UHFFFAOYSA-N -1 3 357.248 2.102 20 10 FECDHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)c1 ZINC000749256500 680034758 /nfs/dbraw/zinc/03/47/58/680034758.db2.gz NKKOFXRORVPQNE-UHFFFAOYSA-N -1 3 372.443 2.218 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000836885978 680527506 /nfs/dbraw/zinc/52/75/06/680527506.db2.gz RVQJZZQZUORUQQ-GOEBONIOSA-N -1 3 350.440 2.024 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@]3(CCSC3)C2)c1 ZINC000837104097 680553174 /nfs/dbraw/zinc/55/31/74/680553174.db2.gz SXMAQZFECHICDQ-MRXNPFEDSA-N -1 3 370.496 2.123 20 10 FECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCC(=O)C1 ZINC000843831524 681021019 /nfs/dbraw/zinc/02/10/19/681021019.db2.gz QEVQJRFXTIDWHD-SWLSCSKDSA-N -1 3 350.846 2.495 20 10 FECDHM CS[C@@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000846349831 681229695 /nfs/dbraw/zinc/22/96/95/681229695.db2.gz XLOVYCAPBXYKPD-TZMCWYRMSA-N -1 3 358.485 2.168 20 10 FECDHM O=S(=O)(NCCNCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000790959548 682716000 /nfs/dbraw/zinc/71/60/00/682716000.db2.gz ZIJAIGFPFZJPAX-UHFFFAOYSA-N -1 3 358.822 2.253 20 10 FECDHM COCc1ccc(OC)c(S(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC000921452024 683473142 /nfs/dbraw/zinc/47/31/42/683473142.db2.gz APLLUHWCSIMRSM-UHFFFAOYSA-N -1 3 355.387 2.165 20 10 FECDHM CS(=O)(=O)CC[C@H](C(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000928707368 683491101 /nfs/dbraw/zinc/49/11/01/683491101.db2.gz DAPHNWPLFUYVPN-AWEZNQCLSA-N -1 3 365.426 2.366 20 10 FECDHM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1ccc(N2CCCCC2)cc1 ZINC000866642510 684128256 /nfs/dbraw/zinc/12/82/56/684128256.db2.gz NEAQBIPXEJKEOI-UHFFFAOYSA-N -1 3 371.528 2.273 20 10 FECDHM CS(=O)(=O)C1(CNC(=O)NCc2c([O-])cccc2F)CCCCC1 ZINC000923275449 684253994 /nfs/dbraw/zinc/25/39/94/684253994.db2.gz CNWMQRKAOPVQNS-UHFFFAOYSA-N -1 3 358.435 2.078 20 10 FECDHM O=C([N-]CC1C[NH+](Cc2cccc(Br)c2[O-])C1)C(F)(F)F ZINC000877776889 686454539 /nfs/dbraw/zinc/45/45/39/686454539.db2.gz FRNJDQCLQCCWRP-UHFFFAOYSA-N -1 3 367.165 2.265 20 10 FECDHM COC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(Br)cc1[O-] ZINC000895867386 689784626 /nfs/dbraw/zinc/78/46/26/689784626.db2.gz WTOAVIHDLYXXRX-OLZOCXBDSA-N -1 3 358.232 2.355 20 10 FECDHM COc1ccc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c(O)c1OC ZINC000895873391 689785862 /nfs/dbraw/zinc/78/58/62/689785862.db2.gz SMUKBAWEAPZCPP-OAHLLOKOSA-N -1 3 362.348 2.052 20 10 FECDHM Cn1ncc(I)c1CNCc1c([O-])cccc1F ZINC000896639413 689909614 /nfs/dbraw/zinc/90/96/14/689909614.db2.gz DSOFDVZURDTSNR-UHFFFAOYSA-N -1 3 361.158 2.159 20 10 FECDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc2c(c1)CCCN2C ZINC000058511072 540846912 /nfs/dbraw/zinc/84/69/12/540846912.db2.gz ONBQGVQIQHAZQM-UHFFFAOYSA-N -1 3 368.890 2.243 20 10 FECDHM CCCOc1ccc(CN2CC[C@@H](S(=O)(=O)NC(C)C)C2)c([O-])c1 ZINC000091898180 542831324 /nfs/dbraw/zinc/83/13/24/542831324.db2.gz JZFGHNDSEWCRKG-MRXNPFEDSA-N -1 3 356.488 2.083 20 10 FECDHM COCCOCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134260069 544300569 /nfs/dbraw/zinc/30/05/69/544300569.db2.gz ZLBMUYMYLWGJAR-INIZCTEOSA-N -1 3 370.877 2.179 20 10 FECDHM COCCN(C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805073663 674317159 /nfs/dbraw/zinc/31/71/59/674317159.db2.gz SLWFWHDKRIOKLQ-UHFFFAOYSA-N -1 3 350.246 2.076 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000177296948 546589628 /nfs/dbraw/zinc/58/96/28/546589628.db2.gz QRJITJXDNYFONP-CQSZACIVSA-N -1 3 352.862 2.402 20 10 FECDHM Cc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c([O-])c1O ZINC000179456546 546957902 /nfs/dbraw/zinc/95/79/02/546957902.db2.gz UCSRMTGLNZNXBQ-UHFFFAOYSA-N -1 3 372.396 2.072 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)Cn1nc(C)cc1C ZINC000181590644 547341524 /nfs/dbraw/zinc/34/15/24/547341524.db2.gz QCHSDEVNHAJWOL-UHFFFAOYSA-N -1 3 365.817 2.061 20 10 FECDHM Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c([O-])c1O ZINC000181834710 547387941 /nfs/dbraw/zinc/38/79/41/547387941.db2.gz FBUGMZFGUSJPGU-CYBMUJFWSA-N -1 3 352.394 2.469 20 10 FECDHM CCOC(=O)c1nn(C)cc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000186157955 548092314 /nfs/dbraw/zinc/09/23/14/548092314.db2.gz GTRNJJHIJKFHMI-KRWDZBQOSA-N -1 3 373.453 2.484 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](O)CC(F)(F)F ZINC000189664361 548307617 /nfs/dbraw/zinc/30/76/17/548307617.db2.gz MAPWICMAPDOXKF-LLVKDONJSA-N -1 3 355.740 2.334 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)CC(F)(F)F ZINC000189664385 548307974 /nfs/dbraw/zinc/30/79/74/548307974.db2.gz MAPWICMAPDOXKF-NSHDSACASA-N -1 3 355.740 2.334 20 10 FECDHM O=C(CN1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1)N1CCCC1 ZINC000191221731 548341820 /nfs/dbraw/zinc/34/18/20/548341820.db2.gz DBIPIPSGERIZSR-UHFFFAOYSA-N -1 3 369.868 2.315 20 10 FECDHM Cc1cc(Br)cc(CN2CCS(=O)(=O)CC[C@H]2C)c1[O-] ZINC000192052525 548357023 /nfs/dbraw/zinc/35/70/23/548357023.db2.gz WZCYQPDYGNPXDK-LLVKDONJSA-N -1 3 362.289 2.472 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3ccccc3C2)c1 ZINC000271179032 550349085 /nfs/dbraw/zinc/34/90/85/550349085.db2.gz CBHNBMNDRNQBRD-AWEZNQCLSA-N -1 3 360.435 2.051 20 10 FECDHM COc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)cc(OC)c1OC ZINC000274190476 550527146 /nfs/dbraw/zinc/52/71/46/550527146.db2.gz KRHYVCXAECTMHS-UHFFFAOYSA-N -1 3 372.421 2.380 20 10 FECDHM CCN(CC)c1ccc(CNC(=O)CNC(=O)c2cccc([O-])c2)cc1 ZINC000275124270 550570530 /nfs/dbraw/zinc/57/05/30/550570530.db2.gz JMKLDYPYUPYVNL-UHFFFAOYSA-N -1 3 355.438 2.285 20 10 FECDHM O=C(NCCN1CCSCC1)NCc1cccc(Br)c1[O-] ZINC000277469009 550674371 /nfs/dbraw/zinc/67/43/71/550674371.db2.gz OTUYABCIRMWQCC-UHFFFAOYSA-N -1 3 374.304 2.003 20 10 FECDHM COc1c([O-])c(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209962 550761210 /nfs/dbraw/zinc/76/12/10/550761210.db2.gz KEGLRJPNAXPUFA-JSGCOSHPSA-N -1 3 372.443 2.097 20 10 FECDHM COC[C@H]([C@@H]1CCCO1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000280020298 550953216 /nfs/dbraw/zinc/95/32/16/550953216.db2.gz HJXUHCCYBSAPKY-HIFRSBDPSA-N -1 3 368.817 2.004 20 10 FECDHM COc1c([O-])c(CN2C[C@]3(CCOC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000280272215 550975833 /nfs/dbraw/zinc/97/58/33/550975833.db2.gz MPTCYIGLDHXOSO-KRWDZBQOSA-N -1 3 352.387 2.079 20 10 FECDHM COc1c([O-])c(CNCc2cc(C)nc(N3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000292861179 552765799 /nfs/dbraw/zinc/76/57/99/552765799.db2.gz VISBWFYBCACFRZ-UHFFFAOYSA-N -1 3 373.413 2.297 20 10 FECDHM Cc1ccnc(NC(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000364004894 555231859 /nfs/dbraw/zinc/23/18/59/555231859.db2.gz WZSHMXMVCRQKJC-UHFFFAOYSA-N -1 3 355.394 2.292 20 10 FECDHM Cc1cc(Br)cc(CN2CCC[C@@H](N3CCNC3=O)C2)c1[O-] ZINC000367741701 556127539 /nfs/dbraw/zinc/12/75/39/556127539.db2.gz UYNJIVYOQCVBHP-CQSZACIVSA-N -1 3 368.275 2.453 20 10 FECDHM COc1cc(Br)cc(CN2CC(F)(F)C[C@@H]2CO)c1[O-] ZINC000372635820 557526532 /nfs/dbraw/zinc/52/65/32/557526532.db2.gz CSGVANLBIITOFV-SNVBAGLBSA-N -1 3 352.175 2.365 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CCc2c[nH]nc2C1 ZINC000372949561 557595340 /nfs/dbraw/zinc/59/53/40/557595340.db2.gz CNMGUINPPDNNLW-CYBMUJFWSA-N -1 3 360.801 2.090 20 10 FECDHM O=C(CCc1c[nH]cn1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000373540266 557713950 /nfs/dbraw/zinc/71/39/50/557713950.db2.gz WGLLHXMDPYVNPM-INIZCTEOSA-N -1 3 362.861 2.482 20 10 FECDHM Cc1ccc(C(=O)N2CCN(c3cc(C4(C)CC4)[nH]n3)CC2)c([O-])c1O ZINC000373571395 557720660 /nfs/dbraw/zinc/72/06/60/557720660.db2.gz DZHSSFBNRHPGFB-UHFFFAOYSA-N -1 3 356.426 2.143 20 10 FECDHM Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c([O-])c1O ZINC000373759466 557753171 /nfs/dbraw/zinc/75/31/71/557753171.db2.gz SAUHRGYIDKPPCK-YOEHRIQHSA-N -1 3 354.406 2.356 20 10 FECDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@]2(CCOC2)O1 ZINC000376020567 558114819 /nfs/dbraw/zinc/11/48/19/558114819.db2.gz GREXCEVUSODMMG-DYVFJYSZSA-N -1 3 352.387 2.079 20 10 FECDHM Cc1ccc(C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)c([O-])c1O ZINC000378573960 558586614 /nfs/dbraw/zinc/58/66/14/558586614.db2.gz SFTHMMRKKDWZKV-UHFFFAOYSA-N -1 3 364.405 2.245 20 10 FECDHM Cc1cncn1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000528858733 562350553 /nfs/dbraw/zinc/35/05/53/562350553.db2.gz BHKGBLDJRAXVEA-MRXNPFEDSA-N -1 3 362.861 2.331 20 10 FECDHM CC(C)(C)c1ncc2c(n1)CCN(Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000530103257 562398360 /nfs/dbraw/zinc/39/83/60/562398360.db2.gz RMPAXBWTCVUJKZ-KRWDZBQOSA-N -1 3 355.438 2.464 20 10 FECDHM COc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1O ZINC000826216123 608377412 /nfs/dbraw/zinc/37/74/12/608377412.db2.gz LMNJEWUYRIRLJI-UHFFFAOYSA-N -1 3 352.398 2.467 20 10 FECDHM Cc1cc(C(=O)N[C@@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235257 598363042 /nfs/dbraw/zinc/36/30/42/598363042.db2.gz RVNKGYNSZMTSOX-OAHLLOKOSA-N -1 3 366.425 2.183 20 10 FECDHM CC[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820854818 599496659 /nfs/dbraw/zinc/49/66/59/599496659.db2.gz YYUXKDPJKNABDV-IBGZPJMESA-N -1 3 368.441 2.165 20 10 FECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820121314 606315036 /nfs/dbraw/zinc/31/50/36/606315036.db2.gz PNKLHPOEKMZDBL-UHFFFAOYSA-N -1 3 353.430 2.312 20 10 FECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820121314 606315038 /nfs/dbraw/zinc/31/50/38/606315038.db2.gz PNKLHPOEKMZDBL-UHFFFAOYSA-N -1 3 353.430 2.312 20 10 FECDHM COc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1O ZINC000826216123 608377414 /nfs/dbraw/zinc/37/74/14/608377414.db2.gz LMNJEWUYRIRLJI-UHFFFAOYSA-N -1 3 352.398 2.467 20 10 FECDHM COc1ccc(N2CCN(Cc3cc(-c4nnn[n-]4)cs3)CC2)cc1F ZINC000826209689 608836355 /nfs/dbraw/zinc/83/63/55/608836355.db2.gz MHOZBHSVFUMFKI-UHFFFAOYSA-N -1 3 374.445 2.398 20 10 FECDHM COc1ccc(N2CCN(Cc3cc(-c4nn[n-]n4)cs3)CC2)cc1F ZINC000826209689 608836356 /nfs/dbraw/zinc/83/63/56/608836356.db2.gz MHOZBHSVFUMFKI-UHFFFAOYSA-N -1 3 374.445 2.398 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000063700678 670410294 /nfs/dbraw/zinc/41/02/94/670410294.db2.gz DPGLXFKFMWJZBR-DZGCQCFKSA-N -1 3 364.398 2.189 20 10 FECDHM Cc1nc(CN2CCN(Cc3cc(Br)ccc3[O-])CC2)no1 ZINC000093273893 670751014 /nfs/dbraw/zinc/75/10/14/670751014.db2.gz HKKHSJQCQYLIFY-UHFFFAOYSA-N -1 3 367.247 2.164 20 10 FECDHM Cc1ccc([O-])c(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 ZINC000098109718 670765945 /nfs/dbraw/zinc/76/59/45/670765945.db2.gz PRUKPLCZIYHYKL-UHFFFAOYSA-N -1 3 360.435 2.188 20 10 FECDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)s1 ZINC000115592664 670898464 /nfs/dbraw/zinc/89/84/64/670898464.db2.gz KGNSUOVSUQEVAJ-UHFFFAOYSA-N -1 3 368.480 2.388 20 10 FECDHM CS(=O)(=O)CC1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000707153075 673063334 /nfs/dbraw/zinc/06/33/34/673063334.db2.gz VCYAQLXZVJJVGU-UHFFFAOYSA-N -1 3 362.289 2.411 20 10 FECDHM COc1ccc(N2CCC([N-]S(=O)(=O)c3c(C)noc3C)CC2)cc1 ZINC000726601321 673131480 /nfs/dbraw/zinc/13/14/80/673131480.db2.gz OMSSBOQUWDNSFZ-UHFFFAOYSA-N -1 3 365.455 2.247 20 10 FECDHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743641932 673766886 /nfs/dbraw/zinc/76/68/86/673766886.db2.gz KUGIXWMENMGGEE-SJLPKXTDSA-N -1 3 360.435 2.224 20 10 FECDHM O=C(N1CCCC1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824542019 675609616 /nfs/dbraw/zinc/60/96/16/675609616.db2.gz NOVYNYATRWHIFA-UHFFFAOYSA-N -1 3 368.275 2.488 20 10 FECDHM CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000830673919 677054096 /nfs/dbraw/zinc/05/40/96/677054096.db2.gz HSBGZLRLRUJUKL-HNNXBMFYSA-N -1 3 362.323 2.234 20 10 FECDHM O=C1CN(Cc2cc(Br)ccc2[O-])CN1CC(F)(F)F ZINC000754154501 680340537 /nfs/dbraw/zinc/34/05/37/680340537.db2.gz PRUCHOXVDJHBPI-UHFFFAOYSA-N -1 3 353.138 2.319 20 10 FECDHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000768257270 680942141 /nfs/dbraw/zinc/94/21/41/680942141.db2.gz OUKLAGQLPVFIBU-LSDHHAIUSA-N -1 3 370.471 2.087 20 10 FECDHM Cn1cc(CN2CCN(Cc3cc(Br)ccc3[O-])CC2)cn1 ZINC000769311226 680977438 /nfs/dbraw/zinc/97/74/38/680977438.db2.gz ZYGQVKVRNUDGHD-UHFFFAOYSA-N -1 3 365.275 2.206 20 10 FECDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790942558 682715004 /nfs/dbraw/zinc/71/50/04/682715004.db2.gz IVPPHUOZOKUTEB-DGCLKSJQSA-N -1 3 350.415 2.473 20 10 FECDHM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000792532952 682818946 /nfs/dbraw/zinc/81/89/46/682818946.db2.gz GBEOIJFZRANWFY-KWQFWETISA-N -1 3 366.361 2.177 20 10 FECDHM C[C@@H]1CN(CCCNC(=O)NCc2cccc(Cl)c2[O-])C[C@@H](C)O1 ZINC000891728281 689098058 /nfs/dbraw/zinc/09/80/58/689098058.db2.gz MJYBOWDEXKQAHU-CHWSQXEVSA-N -1 3 355.866 2.344 20 10 FECDHM O=C(Nc1nncs1)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894766556 689592390 /nfs/dbraw/zinc/59/23/90/689592390.db2.gz PZZDVJZIWIYODG-UHFFFAOYSA-N -1 3 354.382 2.373 20 10 FECDHM O=C1CC[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@@H]2N1 ZINC000895258307 689685946 /nfs/dbraw/zinc/68/59/46/689685946.db2.gz CFSDQMWBQIIXJE-RNCFNFMXSA-N -1 3 357.223 2.394 20 10 FECDHM COC(=O)c1cc(C2CN(Cc3cccc(Br)c3[O-])C2)[nH]n1 ZINC000898005135 690114411 /nfs/dbraw/zinc/11/44/11/690114411.db2.gz UPLCIMDUNMCGFC-UHFFFAOYSA-N -1 3 366.215 2.264 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CN1CSCC1=O ZINC000175846812 546361201 /nfs/dbraw/zinc/36/12/01/546361201.db2.gz RMUHEPUTZKSAKL-UHFFFAOYSA-N -1 3 373.272 2.036 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC(N3CCO[C@H](C)C3)CC2)c1[O-] ZINC000177280082 546586568 /nfs/dbraw/zinc/58/65/68/546586568.db2.gz UFXSZJNQHYQUBB-CYBMUJFWSA-N -1 3 350.434 2.419 20 10 FECDHM Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c([O-])c1O ZINC000182459530 547496404 /nfs/dbraw/zinc/49/64/04/547496404.db2.gz MEWCJXNUXLFJOP-YOEHRIQHSA-N -1 3 355.438 2.442 20 10 FECDHM Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(F)c(F)c3[O-])C2=O)n(C)n1 ZINC000187791127 548264428 /nfs/dbraw/zinc/26/44/28/548264428.db2.gz HLRFPVRHKSOOLD-MFKMUULPSA-N -1 3 350.369 2.168 20 10 FECDHM CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)ccc3[O-])cc2)CC1 ZINC000188124906 548272870 /nfs/dbraw/zinc/27/28/70/548272870.db2.gz JYSNJTYFDPJZPL-UHFFFAOYSA-N -1 3 367.449 2.299 20 10 FECDHM O=C(c1cccc(F)c1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192975452 548377129 /nfs/dbraw/zinc/37/71/29/548377129.db2.gz BPAFSGKSWDHVJP-UHFFFAOYSA-N -1 3 358.369 2.225 20 10 FECDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](C)c1cccnc1 ZINC000271375784 550370235 /nfs/dbraw/zinc/37/02/35/550370235.db2.gz ZVNWHLCJBNWRSA-LBPRGKRZSA-N -1 3 363.439 2.382 20 10 FECDHM COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273536003 550502193 /nfs/dbraw/zinc/50/21/93/550502193.db2.gz XJNXQTVOPWHMRA-CJNGLKHVSA-N -1 3 366.458 2.007 20 10 FECDHM Cc1cc(Br)cc(CN2CCC[C@@H](S(C)(=O)=O)C2)c1[O-] ZINC000274105371 550523160 /nfs/dbraw/zinc/52/31/60/550523160.db2.gz KQZWNSYUFUHHJI-CYBMUJFWSA-N -1 3 362.289 2.472 20 10 FECDHM COC(=O)COc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000274820414 550557433 /nfs/dbraw/zinc/55/74/33/550557433.db2.gz SJNRSBKPCOIWOR-UHFFFAOYSA-N -1 3 359.378 2.230 20 10 FECDHM Cc1cccc(NC(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000275058697 550570248 /nfs/dbraw/zinc/57/02/48/550570248.db2.gz YNNKJYVJYJTFIY-UHFFFAOYSA-N -1 3 355.394 2.396 20 10 FECDHM C[C@@H](CO[C@H]1CCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277181805 550640738 /nfs/dbraw/zinc/64/07/38/550640738.db2.gz DWJBPPPQTIIDMO-FZMZJTMJSA-N -1 3 368.817 2.004 20 10 FECDHM COc1c([O-])c(CNc2cc(C(N)=O)ccc2CN(C)C)ccc1[N+](=O)[O-] ZINC000278619860 550804781 /nfs/dbraw/zinc/80/47/81/550804781.db2.gz FSAYOADJTNSTOL-UHFFFAOYSA-N -1 3 374.397 2.082 20 10 FECDHM CCNC(=O)c1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278912647 550835125 /nfs/dbraw/zinc/83/51/25/550835125.db2.gz STNAMVDZQYMWJY-UHFFFAOYSA-N -1 3 359.382 2.349 20 10 FECDHM COC[C@@H]([C@@H]1CCCO1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000280020308 550953381 /nfs/dbraw/zinc/95/33/81/550953381.db2.gz HJXUHCCYBSAPKY-ZFWWWQNUSA-N -1 3 368.817 2.004 20 10 FECDHM COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2Cc2cc(F)cc(C(C)=O)c2[O-])O1 ZINC000282484934 551236045 /nfs/dbraw/zinc/23/60/45/551236045.db2.gz PEIBIKSWUUJZQN-ZMPFYLFPSA-N -1 3 365.401 2.417 20 10 FECDHM Cn1ccc(N2CC[C@H](NCc3cc(Cl)cc(Cl)c3[O-])C2=O)n1 ZINC000360091333 554862341 /nfs/dbraw/zinc/86/23/41/554862341.db2.gz BTCMKYRJQGLZTQ-LBPRGKRZSA-N -1 3 355.225 2.328 20 10 FECDHM Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000363923384 555214850 /nfs/dbraw/zinc/21/48/50/555214850.db2.gz GIGFQURAIRAOLQ-CYBMUJFWSA-N -1 3 355.394 2.292 20 10 FECDHM COc1c([O-])c(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000365683306 555639650 /nfs/dbraw/zinc/63/96/50/555639650.db2.gz YCUVOBYVDWSFQL-XWCIJXRUSA-N -1 3 352.387 2.077 20 10 FECDHM Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)nc1 ZINC000366093739 555749311 /nfs/dbraw/zinc/74/93/11/555749311.db2.gz PELOZFLLQZRCBV-UHFFFAOYSA-N -1 3 355.394 2.292 20 10 FECDHM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc2O1 ZINC000367587101 556090509 /nfs/dbraw/zinc/09/05/09/556090509.db2.gz HRTSVIYZNZEAIY-MRXNPFEDSA-N -1 3 363.391 2.060 20 10 FECDHM O=C(CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCOC[C@@H]1C1CC1 ZINC000372319384 557438771 /nfs/dbraw/zinc/43/87/71/557438771.db2.gz SMBZIYMGVVPVLV-RBUKOAKNSA-N -1 3 374.481 2.011 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1[O-] ZINC000738360583 598275147 /nfs/dbraw/zinc/27/51/47/598275147.db2.gz RAYOOKATAUTVDS-UHFFFAOYSA-N -1 3 360.761 2.424 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1[O-] ZINC000738360583 598275149 /nfs/dbraw/zinc/27/51/49/598275149.db2.gz RAYOOKATAUTVDS-UHFFFAOYSA-N -1 3 360.761 2.424 20 10 FECDHM Cc1cc(C(=O)NC[C@@H](C)CCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168967 607358569 /nfs/dbraw/zinc/35/85/69/607358569.db2.gz VVXDHVPWUFDTBT-LBPRGKRZSA-N -1 3 368.441 2.023 20 10 FECDHM CSCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737180575 598610039 /nfs/dbraw/zinc/61/00/39/598610039.db2.gz DCYVBVYIEAUKHB-UHFFFAOYSA-N -1 3 356.455 2.367 20 10 FECDHM Cc1cc(C(=O)Nc2ccncc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237660 598611110 /nfs/dbraw/zinc/61/11/10/598611110.db2.gz BQXMWHFTDGKIIF-UHFFFAOYSA-N -1 3 359.393 2.343 20 10 FECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822929649 607451908 /nfs/dbraw/zinc/45/19/08/607451908.db2.gz WHAQYAYVMWRYPC-QHHAFSJGSA-N -1 3 356.313 2.174 20 10 FECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822929649 607451911 /nfs/dbraw/zinc/45/19/11/607451911.db2.gz WHAQYAYVMWRYPC-QHHAFSJGSA-N -1 3 356.313 2.174 20 10 FECDHM CN(C)c1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)cc1 ZINC000825879140 607691857 /nfs/dbraw/zinc/69/18/57/607691857.db2.gz HVKIQSYIHRCDOU-UHFFFAOYSA-N -1 3 351.414 2.066 20 10 FECDHM CN(C)c1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)cc1 ZINC000825879140 607691859 /nfs/dbraw/zinc/69/18/59/607691859.db2.gz HVKIQSYIHRCDOU-UHFFFAOYSA-N -1 3 351.414 2.066 20 10 FECDHM Cc1ccc(-c2nnn[n-]2)c(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000826274650 608271151 /nfs/dbraw/zinc/27/11/51/608271151.db2.gz YRGGHDYYAAZOSJ-UHFFFAOYSA-N -1 3 365.441 2.043 20 10 FECDHM Cc1ccc(-c2nn[n-]n2)c(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000826274650 608271153 /nfs/dbraw/zinc/27/11/53/608271153.db2.gz YRGGHDYYAAZOSJ-UHFFFAOYSA-N -1 3 365.441 2.043 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000111646881 670860512 /nfs/dbraw/zinc/86/05/12/670860512.db2.gz YVWDWYSZRMTEJL-UKRRQHHQSA-N -1 3 360.435 2.297 20 10 FECDHM Cc1cc([O-])c(CN2CCN(c3ncccc3C(N)=O)CC2)cc1Cl ZINC000824555301 675610149 /nfs/dbraw/zinc/61/01/49/675610149.db2.gz DOJBLVUWMVVSCF-UHFFFAOYSA-N -1 3 360.845 2.170 20 10 FECDHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(Br)cc1[O-] ZINC000824819846 675623139 /nfs/dbraw/zinc/62/31/39/675623139.db2.gz UXBJOMGPELTLIT-ZJUUUORDSA-N -1 3 350.278 2.408 20 10 FECDHM CCOC(=O)CS[C@H](CNC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000828510976 675825938 /nfs/dbraw/zinc/82/59/38/675825938.db2.gz VEJPZRZISHTOJE-SNVBAGLBSA-N -1 3 367.345 2.055 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1 ZINC000839808200 680780661 /nfs/dbraw/zinc/78/06/61/680780661.db2.gz UWAFXDOKEYPLLL-TZMCWYRMSA-N -1 3 352.456 2.320 20 10 FECDHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)cc3c2N1CCC3 ZINC000758148069 680557362 /nfs/dbraw/zinc/55/73/62/680557362.db2.gz NXGLJQJMAVPCMF-UHFFFAOYSA-N -1 3 358.419 2.418 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(C3CCC3)CCC2)c1 ZINC000837218021 680569844 /nfs/dbraw/zinc/56/98/44/680569844.db2.gz WGPQUAJBTIIVGM-UHFFFAOYSA-N -1 3 352.456 2.464 20 10 FECDHM CC(C)O[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000768494614 680948270 /nfs/dbraw/zinc/94/82/70/680948270.db2.gz PQCCLBBISSJLOR-GJZGRUSLSA-N -1 3 370.471 2.086 20 10 FECDHM Cc1ccc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c([O-])c1O ZINC000780887497 681883859 /nfs/dbraw/zinc/88/38/59/681883859.db2.gz QMAMHDBYYKOASY-UHFFFAOYSA-N -1 3 362.407 2.198 20 10 FECDHM COC(=O)CN(Cc1onc(C)c1[N+](=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000851840579 682157712 /nfs/dbraw/zinc/15/77/12/682157712.db2.gz HPDWSPUBSOACCM-UHFFFAOYSA-N -1 3 369.761 2.425 20 10 FECDHM C[C@@H]1C[C@@H](NCc2c([O-])ccc(Cl)c2F)C(=O)N1c1cnn(C)c1 ZINC000790970447 682716937 /nfs/dbraw/zinc/71/69/37/682716937.db2.gz JOKPFZSLLMPYTE-NOZJJQNGSA-N -1 3 352.797 2.202 20 10 FECDHM C[C@@H]1C[C@H](NCc2c([O-])ccc(Cl)c2F)C(=O)N1c1cnn(C)c1 ZINC000790970449 682717110 /nfs/dbraw/zinc/71/71/10/682717110.db2.gz JOKPFZSLLMPYTE-RNCFNFMXSA-N -1 3 352.797 2.202 20 10 FECDHM CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2c([O-])cccc2F)CC1(F)F ZINC000928709519 683491860 /nfs/dbraw/zinc/49/18/60/683491860.db2.gz JAJSTEKTYDKAFA-HNNXBMFYSA-N -1 3 360.332 2.450 20 10 FECDHM [O-]c1cccc(Br)c1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000862213972 683550740 /nfs/dbraw/zinc/55/07/40/683550740.db2.gz ZVGJXSSYISMSQA-CYBMUJFWSA-N -1 3 355.276 2.451 20 10 FECDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@H]2CCC[C@H]21 ZINC000862388078 683582006 /nfs/dbraw/zinc/58/20/06/683582006.db2.gz WTUPPTIBTONISC-GXTWGEPZSA-N -1 3 360.273 2.306 20 10 FECDHM C[C@H]1CC[C@H](C)N1CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911359617 685202667 /nfs/dbraw/zinc/20/26/67/685202667.db2.gz DCRNICHFBPZDOW-RYUDHWBXSA-N -1 3 354.834 2.332 20 10 FECDHM COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cccc(O)c1[O-])CCS2 ZINC000890605461 688945395 /nfs/dbraw/zinc/94/53/95/688945395.db2.gz VBUMQSRPALSWBP-GCULGPDHSA-N -1 3 351.424 2.045 20 10 FECDHM COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(Br)cc1[O-] ZINC000895867387 689784857 /nfs/dbraw/zinc/78/48/57/689784857.db2.gz WTOAVIHDLYXXRX-QWHCGFSZSA-N -1 3 358.232 2.355 20 10 FECDHM Cn1nccc1[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000897559417 690039057 /nfs/dbraw/zinc/03/90/57/690039057.db2.gz VYLOOLQNSOSTHZ-HNNXBMFYSA-N -1 3 352.232 2.462 20 10 FECDHM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055258897 540641119 /nfs/dbraw/zinc/64/11/19/540641119.db2.gz KAPHHFBHVLKLOT-LRDDRELGSA-N -1 3 370.471 2.089 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(c3nc(C)ns3)CC2)c1[O-] ZINC000079470821 542520535 /nfs/dbraw/zinc/52/05/35/542520535.db2.gz IACGNCKEQRZBKZ-UHFFFAOYSA-N -1 3 350.419 2.216 20 10 FECDHM CCc1ccccc1NC(=O)CNC(=O)CN(C)Cc1ccccc1[O-] ZINC000111235130 543388589 /nfs/dbraw/zinc/38/85/89/543388589.db2.gz QSOQPKNDNPLEBC-UHFFFAOYSA-N -1 3 355.438 2.141 20 10 FECDHM CCCN(Cc1cc(C)cc(Br)c1[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000802656216 674190441 /nfs/dbraw/zinc/19/04/41/674190441.db2.gz MACABHREEWUVSL-CYBMUJFWSA-N -1 3 369.259 2.432 20 10 FECDHM CCS(=O)(=O)CCN(C)Cc1cc(Br)cc(C)c1[O-] ZINC000180422324 547106010 /nfs/dbraw/zinc/10/60/10/547106010.db2.gz HMVFJEWUJBNJPK-UHFFFAOYSA-N -1 3 350.278 2.330 20 10 FECDHM Cc1cccc(C(=O)N2CCCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000192975348 548376568 /nfs/dbraw/zinc/37/65/68/548376568.db2.gz GNVSKAGXFRYUBI-UHFFFAOYSA-N -1 3 354.406 2.395 20 10 FECDHM CCOC(=O)Cc1csc(NC(=O)CN(C)Cc2ccccc2[O-])n1 ZINC000264689588 549999563 /nfs/dbraw/zinc/99/95/63/549999563.db2.gz GWSJEHSYLIXDTR-UHFFFAOYSA-N -1 3 363.439 2.025 20 10 FECDHM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000272778824 550470417 /nfs/dbraw/zinc/47/04/17/550470417.db2.gz UPFMUZSZVWQRQL-AWEZNQCLSA-N -1 3 372.421 2.088 20 10 FECDHM Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)c([O-])c1O ZINC000272781690 550470588 /nfs/dbraw/zinc/47/05/88/550470588.db2.gz VIGYRAAICCDHIH-WBVHZDCISA-N -1 3 357.406 2.371 20 10 FECDHM C[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273398509 550496942 /nfs/dbraw/zinc/49/69/42/550496942.db2.gz MQMHRGVANDITKC-CQSZACIVSA-N -1 3 371.441 2.298 20 10 FECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(N3CCOCC3)nc2)c1 ZINC000273395108 550497004 /nfs/dbraw/zinc/49/70/04/550497004.db2.gz LVLLWVVMCLJYTP-CQSZACIVSA-N -1 3 371.437 2.261 20 10 FECDHM NC(=O)C1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CC1 ZINC000275015313 550570461 /nfs/dbraw/zinc/57/04/61/550570461.db2.gz YCOODENRNTXSOR-UHFFFAOYSA-N -1 3 355.394 2.052 20 10 FECDHM COc1cccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1O ZINC000276873784 550605799 /nfs/dbraw/zinc/60/57/99/550605799.db2.gz RNASABDQIGPOEQ-UHFFFAOYSA-N -1 3 366.395 2.404 20 10 FECDHM CCN1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277481262 550675912 /nfs/dbraw/zinc/67/59/12/550675912.db2.gz PRMBUZFMHJIGQK-UHFFFAOYSA-N -1 3 356.264 2.438 20 10 FECDHM CCCOc1ccc(CN2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)c([O-])c1 ZINC000284491208 551561235 /nfs/dbraw/zinc/56/12/35/551561235.db2.gz GHRIHBXUSQFYBP-ROUUACIJSA-N -1 3 362.470 2.393 20 10 FECDHM Cc1nnc(CCN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000290931974 552564114 /nfs/dbraw/zinc/56/41/14/552564114.db2.gz JYDIFAUMJQZTKJ-UHFFFAOYSA-N -1 3 366.830 2.212 20 10 FECDHM Cc1ccccc1CCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000295468670 553011802 /nfs/dbraw/zinc/01/18/02/553011802.db2.gz QMXFAFAUGNMIDN-UHFFFAOYSA-N -1 3 362.451 2.387 20 10 FECDHM CC(=O)c1cc(F)cc(CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1[O-] ZINC000296657424 553194491 /nfs/dbraw/zinc/19/44/91/553194491.db2.gz JPBAVYAUPFZUET-AWEZNQCLSA-N -1 3 370.421 2.051 20 10 FECDHM COc1c([O-])c(CN[C@H](C)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000365796308 555669326 /nfs/dbraw/zinc/66/93/26/555669326.db2.gz PDJIOAMNXBFALB-LLVKDONJSA-N -1 3 361.402 2.478 20 10 FECDHM COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1O ZINC000369035689 556483270 /nfs/dbraw/zinc/48/32/70/556483270.db2.gz IPAXXUIJNZYHHV-HNNXBMFYSA-N -1 3 370.405 2.027 20 10 FECDHM COc1cc(Br)cc(CN2CCn3c(C)nnc3C2)c1[O-] ZINC000371371391 557164513 /nfs/dbraw/zinc/16/45/13/557164513.db2.gz BNWCOJJCTYCVDT-UHFFFAOYSA-N -1 3 353.220 2.079 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000372889216 557582892 /nfs/dbraw/zinc/58/28/92/557582892.db2.gz GOSQXZHHJDJFAN-GUTXKFCHSA-N -1 3 350.802 2.377 20 10 FECDHM CCc1nc(CN2CCC[C@H](N(C)C(=O)c3ccc(C)c(O)c3[O-])C2)no1 ZINC000374754646 557925942 /nfs/dbraw/zinc/92/59/42/557925942.db2.gz OIPIEEARMFFEIM-ZDUSSCGKSA-N -1 3 374.441 2.088 20 10 FECDHM Cc1cc(Br)cc(CN2CCN3C(=O)N(C)C[C@H]3C2)c1[O-] ZINC000376055997 558120594 /nfs/dbraw/zinc/12/05/94/558120594.db2.gz UFZJXZUNGOECPT-ZDUSSCGKSA-N -1 3 354.248 2.015 20 10 FECDHM COC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736967669 598610225 /nfs/dbraw/zinc/61/02/25/598610225.db2.gz CCODSPWBYMRNGH-NSHDSACASA-N -1 3 354.414 2.039 20 10 FECDHM CCOCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736614576 598610253 /nfs/dbraw/zinc/61/02/53/598610253.db2.gz ICSFRVYQVGWCEJ-UHFFFAOYSA-N -1 3 368.441 2.431 20 10 FECDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822641591 606283654 /nfs/dbraw/zinc/28/36/54/606283654.db2.gz RSPMYFIDYYJZCA-UHFFFAOYSA-N -1 3 365.441 2.126 20 10 FECDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000822641591 606283656 /nfs/dbraw/zinc/28/36/56/606283656.db2.gz RSPMYFIDYYJZCA-UHFFFAOYSA-N -1 3 365.441 2.126 20 10 FECDHM Cc1cc(C(=O)N[C@@H](C)CCCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168784 606920099 /nfs/dbraw/zinc/92/00/99/606920099.db2.gz SFOOQBBZHXTMAZ-LBPRGKRZSA-N -1 3 368.441 2.165 20 10 FECDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccccc1-c1nnn[n-]1 ZINC000825812509 607787383 /nfs/dbraw/zinc/78/73/83/607787383.db2.gz LLYRAMWILQBHBX-KHPPLWFESA-N -1 3 357.377 2.486 20 10 FECDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccccc1-c1nn[n-]n1 ZINC000825812509 607787384 /nfs/dbraw/zinc/78/73/84/607787384.db2.gz LLYRAMWILQBHBX-KHPPLWFESA-N -1 3 357.377 2.486 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826210198 608074668 /nfs/dbraw/zinc/07/46/68/608074668.db2.gz IWATYZGYGLLFHB-QMMMGPOBSA-N -1 3 374.788 2.120 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826210198 608074667 /nfs/dbraw/zinc/07/46/67/608074667.db2.gz IWATYZGYGLLFHB-QMMMGPOBSA-N -1 3 374.788 2.120 20 10 FECDHM Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncccc1-c1nnn[n-]1 ZINC000826511433 608076862 /nfs/dbraw/zinc/07/68/62/608076862.db2.gz QCQKBGDUEQVUCJ-AWEZNQCLSA-N -1 3 352.398 2.153 20 10 FECDHM Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncccc1-c1nn[n-]n1 ZINC000826511433 608076863 /nfs/dbraw/zinc/07/68/63/608076863.db2.gz QCQKBGDUEQVUCJ-AWEZNQCLSA-N -1 3 352.398 2.153 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3cc(F)ccc32)c1 ZINC000055658543 670353709 /nfs/dbraw/zinc/35/37/09/670353709.db2.gz ODWDMAQDEBDRRT-HNNXBMFYSA-N -1 3 364.398 2.320 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000067594090 670459563 /nfs/dbraw/zinc/45/95/63/670459563.db2.gz DPGLXFKFMWJZBR-ZFWWWQNUSA-N -1 3 364.398 2.189 20 10 FECDHM COC(=O)CN(CC(=O)N1CCC[C@H](C)C1)Cc1cc(Cl)ccc1[O-] ZINC000121232921 671945026 /nfs/dbraw/zinc/94/50/26/671945026.db2.gz ULBFZPCOLKQDJD-ZDUSSCGKSA-N -1 3 368.861 2.279 20 10 FECDHM N=C1Nc2nc3ccccc3n2[C@H](c2cc(O)cc(Br)c2[O-])N1 ZINC000124701305 672000963 /nfs/dbraw/zinc/00/09/63/672000963.db2.gz SEUTUJBMEVLJHO-CYBMUJFWSA-N -1 3 374.198 2.306 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000743632496 673766224 /nfs/dbraw/zinc/76/62/24/673766224.db2.gz HAPFNUAHSDKOAK-CZUORRHYSA-N -1 3 360.435 2.125 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000743654053 673767479 /nfs/dbraw/zinc/76/74/79/673767479.db2.gz CHUSFFVGEFXPEO-DZGCQCFKSA-N -1 3 352.456 2.462 20 10 FECDHM COc1c([O-])c(CN[C@H](CO)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000827715946 675774523 /nfs/dbraw/zinc/77/45/23/675774523.db2.gz RIBMFDLFBNRMBL-CYBMUJFWSA-N -1 3 354.309 2.410 20 10 FECDHM CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000830673928 677054129 /nfs/dbraw/zinc/05/41/29/677054129.db2.gz HSBGZLRLRUJUKL-OAHLLOKOSA-N -1 3 362.323 2.234 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)C[C@H]2C2CCC2)c1[O-] ZINC000839630082 680767932 /nfs/dbraw/zinc/76/79/32/680767932.db2.gz QGBAQIDGWXTQMZ-INIZCTEOSA-N -1 3 355.431 2.133 20 10 FECDHM CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)CC1 ZINC000840914517 680852628 /nfs/dbraw/zinc/85/26/28/680852628.db2.gz VATARUVDXRWEMM-UHFFFAOYSA-N -1 3 357.428 2.407 20 10 FECDHM Nc1ccc(Cc2nc(C(=O)OCc3cc(=O)c([O-])co3)cs2)cc1 ZINC000751932806 680210466 /nfs/dbraw/zinc/21/04/66/680210466.db2.gz YCXIBQOOPQPLCR-UHFFFAOYSA-N -1 3 358.375 2.332 20 10 FECDHM CCOC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])C1CCOCC1 ZINC000755190760 680404511 /nfs/dbraw/zinc/40/45/11/680404511.db2.gz AXZXVHLPJFSQHF-INIZCTEOSA-N -1 3 353.390 2.182 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000776254087 681376698 /nfs/dbraw/zinc/37/66/98/681376698.db2.gz OIUPYBGSTJDPSY-ZETCQYMHSA-N -1 3 359.308 2.098 20 10 FECDHM CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1OC ZINC000776339828 681384299 /nfs/dbraw/zinc/38/42/99/681384299.db2.gz CNIIYLLBFLHSEG-UHFFFAOYSA-N -1 3 366.395 2.120 20 10 FECDHM CCn1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000934941350 681661773 /nfs/dbraw/zinc/66/17/73/681661773.db2.gz WVFPEXICLDFCQO-AWEZNQCLSA-N -1 3 363.849 2.051 20 10 FECDHM O=S(=O)(C1CN(Cc2cc(F)ccc2[O-])C1)N1CCc2ccccc21 ZINC000779624725 681731848 /nfs/dbraw/zinc/73/18/48/681731848.db2.gz RGLRDECLZFARAA-UHFFFAOYSA-N -1 3 362.426 2.108 20 10 FECDHM Cc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c([O-])c1O ZINC000780863695 681878624 /nfs/dbraw/zinc/87/86/24/681878624.db2.gz SSZWLKIUBPSJTC-UHFFFAOYSA-N -1 3 362.407 2.198 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1[O-] ZINC000852652631 682313706 /nfs/dbraw/zinc/31/37/06/682313706.db2.gz AEDQTJATDPAZMZ-CQSZACIVSA-N -1 3 353.850 2.436 20 10 FECDHM CC(=O)c1cc(F)cc(CN[C@H]2CS(=O)(=O)Cc3ccccc32)c1[O-] ZINC000856789890 682811090 /nfs/dbraw/zinc/81/10/90/682811090.db2.gz RMVKLOXEZZYYJB-KRWDZBQOSA-N -1 3 363.410 2.493 20 10 FECDHM O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cccc(O)c1[O-] ZINC000794257324 682950147 /nfs/dbraw/zinc/95/01/47/682950147.db2.gz AOPQSCOWGZBFLD-NSHDSACASA-N -1 3 357.284 2.460 20 10 FECDHM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1 ZINC000919818911 683300996 /nfs/dbraw/zinc/30/09/96/683300996.db2.gz WSPQNPBWDRTBBX-GXFFZTMASA-N -1 3 364.423 2.410 20 10 FECDHM COc1cc(C)c(S(=O)(=O)NCc2c([O-])cccc2F)cc1OC ZINC000921452728 683473040 /nfs/dbraw/zinc/47/30/40/683473040.db2.gz XPILTHRMWKNTJL-UHFFFAOYSA-N -1 3 355.387 2.335 20 10 FECDHM CSCC[C@H](NC(=O)c1ccco1)C(=O)NCc1c([O-])cccc1F ZINC000928707805 683491672 /nfs/dbraw/zinc/49/16/72/683491672.db2.gz BUODKXOFKZSCGN-ZDUSSCGKSA-N -1 3 366.414 2.292 20 10 FECDHM CC(C)(C)OC(=O)C1(C(=O)NCc2c([O-])cccc2F)CCOCC1 ZINC000928709911 683491723 /nfs/dbraw/zinc/49/17/23/683491723.db2.gz NSAJPSXJWQDNLM-UHFFFAOYSA-N -1 3 353.390 2.286 20 10 FECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000928711550 683492287 /nfs/dbraw/zinc/49/22/87/683492287.db2.gz IPZICVBSLHEQEQ-AWEZNQCLSA-N -1 3 352.431 2.239 20 10 FECDHM CCn1nc2c(cc1=O)CN(Cc1c([O-])cccc1Br)CC2 ZINC000862251067 683559002 /nfs/dbraw/zinc/55/90/02/683559002.db2.gz ZWIVBFZOJLSXCL-UHFFFAOYSA-N -1 3 364.243 2.290 20 10 FECDHM COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NCc2c([O-])cccc2F)C1 ZINC000922052704 683647217 /nfs/dbraw/zinc/64/72/17/683647217.db2.gz WUVYRSRUPZAILC-NWDGAFQWSA-N -1 3 353.394 2.197 20 10 FECDHM [O-]c1cccc(Br)c1CNCc1nnc(C2CCOCC2)[nH]1 ZINC000865686630 684014446 /nfs/dbraw/zinc/01/44/46/684014446.db2.gz PUSHRRIRLLQEGB-UHFFFAOYSA-N -1 3 367.247 2.457 20 10 FECDHM [O-]c1c(Br)cccc1CNCc1nnc(C2CCOCC2)[nH]1 ZINC000865686690 684014633 /nfs/dbraw/zinc/01/46/33/684014633.db2.gz GOTXBWVKVQODLR-UHFFFAOYSA-N -1 3 367.247 2.457 20 10 FECDHM C[C@@H]1CC[C@H](C)N1CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911359618 685202496 /nfs/dbraw/zinc/20/24/96/685202496.db2.gz DCRNICHFBPZDOW-TXEJJXNPSA-N -1 3 354.834 2.332 20 10 FECDHM O=S1(=O)C[C@H]2CN(Cc3c([O-])cccc3Br)CC[C@@H]2C1 ZINC000877788718 686460003 /nfs/dbraw/zinc/46/00/03/686460003.db2.gz GIUPUWOOXXMSIH-GHMZBOCLSA-N -1 3 360.273 2.021 20 10 FECDHM COC(=O)[C@H](Cc1cncs1)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000879990904 686967525 /nfs/dbraw/zinc/96/75/25/686967525.db2.gz HGCQJCMAEJAUPA-AWEZNQCLSA-N -1 3 352.387 2.064 20 10 FECDHM CON(C)C(=O)[C@@H](C)NCc1cc(Cl)cc(Br)c1[O-] ZINC000883192447 687584818 /nfs/dbraw/zinc/58/48/18/687584818.db2.gz ZOUWZNREYBLREN-SSDOTTSWSA-N -1 3 351.628 2.306 20 10 FECDHM CN1CCN(c2cc(C(=O)NCc3cccc(Cl)c3[O-])ccn2)CC1 ZINC000890757739 688962693 /nfs/dbraw/zinc/96/26/93/688962693.db2.gz JXFGTXJBFUPNLT-UHFFFAOYSA-N -1 3 360.845 2.122 20 10 FECDHM Cc1cc([O-])c(CNc2cccn(CCS(C)(=O)=O)c2=O)c(Cl)c1 ZINC000902232920 690750688 /nfs/dbraw/zinc/75/06/88/690750688.db2.gz BAYUHZYCMDVJOV-UHFFFAOYSA-N -1 3 370.858 2.172 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2CCC(F)(F)CC2)c1 ZINC000800640756 674067691 /nfs/dbraw/zinc/06/76/91/674067691.db2.gz QGNNUMJMOWRGEB-UHFFFAOYSA-N -1 3 362.398 2.319 20 10 FECDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000023398215 211385992 /nfs/dbraw/zinc/38/59/92/211385992.db2.gz RUMUFLLBTLUDFA-UHFFFAOYSA-N -1 3 354.453 2.421 20 10 FECDHM O=C(CCC(F)(F)F)N1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000805277422 674328716 /nfs/dbraw/zinc/32/87/16/674328716.db2.gz VJOTWLGKFUNTCX-SNVBAGLBSA-N -1 3 360.332 2.161 20 10 FECDHM CCn1cc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cn1 ZINC000181587435 547339741 /nfs/dbraw/zinc/33/97/41/547339741.db2.gz MGADRNYJNARLTL-UHFFFAOYSA-N -1 3 351.790 2.077 20 10 FECDHM C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])C[C@H](C(N)=O)O1 ZINC000183125515 547606495 /nfs/dbraw/zinc/60/64/95/547606495.db2.gz CSCXFDUTGUKIOF-AUUYWEPGSA-N -1 3 356.422 2.046 20 10 FECDHM CNC(=O)[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])c2ccccc2O1 ZINC000267470598 550032064 /nfs/dbraw/zinc/03/20/64/550032064.db2.gz XJZFAEDGRMHHFI-KRWDZBQOSA-N -1 3 358.369 2.248 20 10 FECDHM COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000267641944 550033335 /nfs/dbraw/zinc/03/33/35/550033335.db2.gz ZNMDOOVNPKUCIT-UHFFFAOYSA-N -1 3 370.405 2.013 20 10 FECDHM COc1cccc(C(=O)N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)c1 ZINC000267602346 550033648 /nfs/dbraw/zinc/03/36/48/550033648.db2.gz PPIHGUCRPDQQOO-UHFFFAOYSA-N -1 3 370.405 2.013 20 10 FECDHM COc1cccc(C[N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)c1O ZINC000269861703 550231676 /nfs/dbraw/zinc/23/16/76/550231676.db2.gz ZBDHQAUSEPWOSS-UHFFFAOYSA-N -1 3 371.386 2.036 20 10 FECDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nc(C)cs1 ZINC000271363496 550368963 /nfs/dbraw/zinc/36/89/63/550368963.db2.gz YNUVCRCTTFCFNE-GFCCVEGCSA-N -1 3 369.468 2.410 20 10 FECDHM CNC(=O)COc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000273395356 550497063 /nfs/dbraw/zinc/49/70/63/550497063.db2.gz FMXMXTBKRVIRJV-GFCCVEGCSA-N -1 3 358.394 2.477 20 10 FECDHM Cc1cc(Cl)cc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1[O-] ZINC000279507600 550897800 /nfs/dbraw/zinc/89/78/00/550897800.db2.gz WXLMZBASLGFHFO-OAHLLOKOSA-N -1 3 358.891 2.354 20 10 FECDHM CCOc1ccccc1C(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000280176114 550968252 /nfs/dbraw/zinc/96/82/52/550968252.db2.gz OIXUTCDFGPXQLO-UHFFFAOYSA-N -1 3 370.405 2.095 20 10 FECDHM Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000281614630 551120784 /nfs/dbraw/zinc/12/07/84/551120784.db2.gz FJCBDNPJATYQNS-INIZCTEOSA-N -1 3 356.378 2.268 20 10 FECDHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)cc2CC1 ZINC000283817346 551432425 /nfs/dbraw/zinc/43/24/25/551432425.db2.gz JLTCDJMARACQQH-UHFFFAOYSA-N -1 3 374.462 2.449 20 10 FECDHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC000292614342 552743241 /nfs/dbraw/zinc/74/32/41/552743241.db2.gz RLOVAZPQDDOTLQ-STQMWFEESA-N -1 3 362.426 2.427 20 10 FECDHM Cn1ccc(N2CC[C@@H](NCc3cc(Cl)cc(Cl)c3[O-])C2=O)n1 ZINC000360091332 554862389 /nfs/dbraw/zinc/86/23/89/554862389.db2.gz BTCMKYRJQGLZTQ-GFCCVEGCSA-N -1 3 355.225 2.328 20 10 FECDHM C[C@@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000365758775 555660963 /nfs/dbraw/zinc/66/09/63/555660963.db2.gz PKWIPUBFEFRXFK-KXBFYZLASA-N -1 3 370.449 2.459 20 10 FECDHM O=C(N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1cccc(O)c1[O-] ZINC000365759684 555661655 /nfs/dbraw/zinc/66/16/55/555661655.db2.gz VGYCUFWHCDWFCV-AWEZNQCLSA-N -1 3 364.405 2.025 20 10 FECDHM COc1cc(Br)cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1[O-] ZINC000368972679 556463966 /nfs/dbraw/zinc/46/39/66/556463966.db2.gz HHFNGFVFLXDFEA-MRCXROJRSA-N -1 3 369.259 2.249 20 10 FECDHM O=C(CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCOC[C@H]1C1CC1 ZINC000372319382 557438624 /nfs/dbraw/zinc/43/86/24/557438624.db2.gz SMBZIYMGVVPVLV-OALUTQOASA-N -1 3 374.481 2.011 20 10 FECDHM COc1cc(Br)cc(CN2CCn3nc(C)nc3C2)c1[O-] ZINC000378348503 558535464 /nfs/dbraw/zinc/53/54/64/558535464.db2.gz YKCGPTAQZIERJA-UHFFFAOYSA-N -1 3 353.220 2.079 20 10 FECDHM Cc1c2ccccc2n(C)c1CNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000527210558 562280522 /nfs/dbraw/zinc/28/05/22/562280522.db2.gz FZRMSCWNMFOHQS-UHFFFAOYSA-N -1 3 351.406 2.239 20 10 FECDHM COc1ccc(CN2CC[C@@H]2CNC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000529833412 562387559 /nfs/dbraw/zinc/38/75/59/562387559.db2.gz RMLRGCVZFXZNIA-OAHLLOKOSA-N -1 3 356.422 2.419 20 10 FECDHM COCC(C)(C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736968750 598611646 /nfs/dbraw/zinc/61/16/46/598611646.db2.gz TUKHVSWGOMRWGO-UHFFFAOYSA-N -1 3 368.441 2.429 20 10 FECDHM O=C1CN(Cc2cc(Br)ccc2[O-])CCN1CC(F)(F)F ZINC000809711066 674506562 /nfs/dbraw/zinc/50/65/62/674506562.db2.gz ISFKBAONNZTFHL-UHFFFAOYSA-N -1 3 367.165 2.361 20 10 FECDHM COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000833733903 605128209 /nfs/dbraw/zinc/12/82/09/605128209.db2.gz VDKUJXVBDLWLNU-QWHCGFSZSA-N -1 3 372.421 2.455 20 10 FECDHM COc1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000821832015 606068981 /nfs/dbraw/zinc/06/89/81/606068981.db2.gz WFROTSKKEJIIGK-UHFFFAOYSA-N -1 3 351.414 2.351 20 10 FECDHM COc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000821832015 606068986 /nfs/dbraw/zinc/06/89/86/606068986.db2.gz WFROTSKKEJIIGK-UHFFFAOYSA-N -1 3 351.414 2.351 20 10 FECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820120665 606220817 /nfs/dbraw/zinc/22/08/17/606220817.db2.gz IIXBNKJRGLAVNS-UHFFFAOYSA-N -1 3 367.457 2.322 20 10 FECDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820120665 606220818 /nfs/dbraw/zinc/22/08/18/606220818.db2.gz IIXBNKJRGLAVNS-UHFFFAOYSA-N -1 3 367.457 2.322 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826210547 608074632 /nfs/dbraw/zinc/07/46/32/608074632.db2.gz VYOJLNXJATXIOC-MQGYJPLLSA-N -1 3 365.393 2.472 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826210547 608074633 /nfs/dbraw/zinc/07/46/33/608074633.db2.gz VYOJLNXJATXIOC-MQGYJPLLSA-N -1 3 365.393 2.472 20 10 FECDHM Oc1ccccc1CN(C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826511224 608076677 /nfs/dbraw/zinc/07/66/77/608076677.db2.gz HMNJECWVFJPIRP-HNNXBMFYSA-N -1 3 352.398 2.153 20 10 FECDHM Oc1ccccc1CN(C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826511224 608076678 /nfs/dbraw/zinc/07/66/78/608076678.db2.gz HMNJECWVFJPIRP-HNNXBMFYSA-N -1 3 352.398 2.153 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(F)cc2F)c1 ZINC000069973765 670490760 /nfs/dbraw/zinc/49/07/60/670490760.db2.gz PFDNUGXSWOTQST-UHFFFAOYSA-N -1 3 370.377 2.014 20 10 FECDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])[C@@H]2CCC[C@@H]21 ZINC000825201798 675641459 /nfs/dbraw/zinc/64/14/59/675641459.db2.gz NYDGLQKKIJCESW-OCCSQVGLSA-N -1 3 360.273 2.306 20 10 FECDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])[C@@H]2CCC[C@H]21 ZINC000826100736 675682019 /nfs/dbraw/zinc/68/20/19/675682019.db2.gz SWWCPVAXHPCGJG-TZMCWYRMSA-N -1 3 360.273 2.306 20 10 FECDHM CN(CC(=O)NCc1ccco1)Cc1cccc(Br)c1[O-] ZINC000768194551 680940238 /nfs/dbraw/zinc/94/02/38/680940238.db2.gz ASVDIEHXCDAMIW-UHFFFAOYSA-N -1 3 353.216 2.496 20 10 FECDHM COc1ccc(O)c(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000751415752 680172849 /nfs/dbraw/zinc/17/28/49/680172849.db2.gz WQDSMDVZULZGIM-UHFFFAOYSA-N -1 3 366.395 2.404 20 10 FECDHM CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769947115 681001534 /nfs/dbraw/zinc/00/15/34/681001534.db2.gz CIXUOSXJKJIGKN-JSGCOSHPSA-N -1 3 358.485 2.168 20 10 FECDHM O=S(=O)([N-]c1ccc(O)cc1Cl)c1cnn(C2CCOCC2)c1 ZINC000849307933 681682238 /nfs/dbraw/zinc/68/22/38/681682238.db2.gz BCTUIJGEYAMJJT-UHFFFAOYSA-N -1 3 357.819 2.394 20 10 FECDHM COCCCNC(=O)CN(C)Cc1cc(C)cc(Br)c1[O-] ZINC000781895183 681986475 /nfs/dbraw/zinc/98/64/75/681986475.db2.gz PTJIAWBHXYGNOM-UHFFFAOYSA-N -1 3 359.264 2.048 20 10 FECDHM O=C(N[C@H](CO)c1ccc(Br)cc1)c1cccc(O)c1[O-] ZINC000790916201 682712637 /nfs/dbraw/zinc/71/26/37/682712637.db2.gz HAEHKCRVAYVCNM-GFCCVEGCSA-N -1 3 352.184 2.324 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC[C@@H]2CC2(Cl)Cl)c1 ZINC000857378591 682884668 /nfs/dbraw/zinc/88/46/68/682884668.db2.gz IJUOROYAEIFKJH-MRVPVSSYSA-N -1 3 367.254 2.077 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000927397244 683246778 /nfs/dbraw/zinc/24/67/78/683246778.db2.gz QYYGVCUNQYYWAZ-VGPLMAKISA-N -1 3 370.496 2.168 20 10 FECDHM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCc3c([O-])cccc3F)[C@H]2C1 ZINC000928705294 683490966 /nfs/dbraw/zinc/49/09/66/683490966.db2.gz FYCNZKHQTCVNSH-JYAVWHMHSA-N -1 3 350.390 2.260 20 10 FECDHM COC(=O)c1n[nH]c2c1CN(Cc1c([O-])cccc1Br)CC2 ZINC000862387226 683582057 /nfs/dbraw/zinc/58/20/57/683582057.db2.gz IDHFVZFDBDFTOI-UHFFFAOYSA-N -1 3 366.215 2.223 20 10 FECDHM CCO[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C12CCOCC2 ZINC000922026933 683640754 /nfs/dbraw/zinc/64/07/54/683640754.db2.gz XUFDHZSLDQRFNK-HZPDHXFCSA-N -1 3 352.406 2.305 20 10 FECDHM CCO[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C12CCOCC2 ZINC000922026934 683640926 /nfs/dbraw/zinc/64/09/26/683640926.db2.gz XUFDHZSLDQRFNK-JKSUJKDBSA-N -1 3 352.406 2.305 20 10 FECDHM CC(C)N1CCC[C@@H]1C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000911360808 685203155 /nfs/dbraw/zinc/20/31/55/685203155.db2.gz XZYKSZSNBUKFDV-CQSZACIVSA-N -1 3 354.834 2.332 20 10 FECDHM CNS(=O)(=O)c1cccc([C@H](C)NCc2cc(F)cc(F)c2[O-])c1 ZINC000882967444 687536203 /nfs/dbraw/zinc/53/62/03/687536203.db2.gz HFVFAESCTNMFCL-JTQLQIEISA-N -1 3 356.394 2.429 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1ccccc1=O ZINC000075417113 542178538 /nfs/dbraw/zinc/17/85/38/542178538.db2.gz PVODWQZRDQIAJK-UHFFFAOYSA-N -1 3 365.227 2.365 20 10 FECDHM CCCOc1ccc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c([O-])c1 ZINC000092044956 542840994 /nfs/dbraw/zinc/84/09/94/542840994.db2.gz DEVNZMQKKYCANN-QGZVFWFLSA-N -1 3 368.499 2.181 20 10 FECDHM COc1cc(Cl)cc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1[O-] ZINC000184703278 547868343 /nfs/dbraw/zinc/86/83/43/547868343.db2.gz ZAFZWRFUIRQDKK-CQSZACIVSA-N -1 3 374.890 2.054 20 10 FECDHM COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1cc(Br)cc(C)c1[O-] ZINC000245654397 548968050 /nfs/dbraw/zinc/96/80/50/548968050.db2.gz IMGUIDQAZFDJDM-OLZOCXBDSA-N -1 3 358.232 2.225 20 10 FECDHM COc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1[O-] ZINC000268097199 550037374 /nfs/dbraw/zinc/03/73/74/550037374.db2.gz VYKFWYZYYPJNGR-UHFFFAOYSA-N -1 3 374.412 2.431 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)c1cn(C)cn1 ZINC000269877103 550232664 /nfs/dbraw/zinc/23/26/64/550232664.db2.gz VKIXKMXTJFSQCX-UHFFFAOYSA-N -1 3 374.260 2.099 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000271428252 550374945 /nfs/dbraw/zinc/37/49/45/550374945.db2.gz SLEQCIFFSBPPHN-UKRRQHHQSA-N -1 3 370.496 2.264 20 10 FECDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCN1c1nccn2cnnc12 ZINC000271834321 550404786 /nfs/dbraw/zinc/40/47/86/550404786.db2.gz PGKCBYZVFPARMC-GFCCVEGCSA-N -1 3 358.833 2.194 20 10 FECDHM CC(C)C[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000271978165 550414143 /nfs/dbraw/zinc/41/41/43/550414143.db2.gz LVWGUDKSIVMMRQ-TZMCWYRMSA-N -1 3 370.471 2.087 20 10 FECDHM COc1ccc(CNC(=O)CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273401914 550497369 /nfs/dbraw/zinc/49/73/69/550497369.db2.gz NLBXVPFDMITOTK-LBPRGKRZSA-N -1 3 359.382 2.276 20 10 FECDHM COC(=O)c1cnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)[n-]1 ZINC000274887390 550562572 /nfs/dbraw/zinc/56/25/72/550562572.db2.gz FCQRPQBFARFFSX-UHFFFAOYSA-N -1 3 362.455 2.013 20 10 FECDHM COc1c([O-])c(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278133791 550752889 /nfs/dbraw/zinc/75/28/89/550752889.db2.gz CPNMZIZBOLWZHY-IINYFYTJSA-N -1 3 364.320 2.444 20 10 FECDHM COc1c([O-])c(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209959 550761285 /nfs/dbraw/zinc/76/12/85/550761285.db2.gz KEGLRJPNAXPUFA-GXTWGEPZSA-N -1 3 372.443 2.097 20 10 FECDHM COc1c([O-])c(CN[C@H]2CC(=O)N(C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278522313 550794962 /nfs/dbraw/zinc/79/49/62/550794962.db2.gz SFQOCSNGBXIYKQ-ZDUSSCGKSA-N -1 3 363.414 2.332 20 10 FECDHM COc1c([O-])c(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273721 552293642 /nfs/dbraw/zinc/29/36/42/552293642.db2.gz GNKWEHWKYXXUKY-MNOVXSKESA-N -1 3 364.320 2.302 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](n3cc(CO)nn3)C2)c1[O-] ZINC000293035209 552782757 /nfs/dbraw/zinc/78/27/57/552782757.db2.gz RWNKPRXGFVCATN-OAHLLOKOSA-N -1 3 364.833 2.169 20 10 FECDHM COc1cc(Cl)cc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1[O-] ZINC000360331907 554871182 /nfs/dbraw/zinc/87/11/82/554871182.db2.gz BYMCIPHDXQKVEO-HNNXBMFYSA-N -1 3 368.861 2.268 20 10 FECDHM COc1cc(Br)cc(CN2CC[C@H](n3cncn3)C2)c1[O-] ZINC000364534961 555331580 /nfs/dbraw/zinc/33/15/80/555331580.db2.gz YYDGEQIGWMNMGT-LBPRGKRZSA-N -1 3 353.220 2.202 20 10 FECDHM CC(=O)CSCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000365513532 555595721 /nfs/dbraw/zinc/59/57/21/555595721.db2.gz XZPYFJGHCYNDFK-HNNXBMFYSA-N -1 3 370.902 2.448 20 10 FECDHM COc1c([O-])c(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366791232 555935157 /nfs/dbraw/zinc/93/51/57/555935157.db2.gz CGSGBBDQLUSZIE-LXIYXOSZSA-N -1 3 366.414 2.467 20 10 FECDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000370074631 556773629 /nfs/dbraw/zinc/77/36/29/556773629.db2.gz WQNYKHGVSJQXFK-NSHDSACASA-N -1 3 368.434 2.006 20 10 FECDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000370074631 556773632 /nfs/dbraw/zinc/77/36/32/556773632.db2.gz WQNYKHGVSJQXFK-NSHDSACASA-N -1 3 368.434 2.006 20 10 FECDHM COc1cc(Cl)cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1[O-] ZINC000370166458 556799850 /nfs/dbraw/zinc/79/98/50/556799850.db2.gz ZGMHQYYKTYDKDR-UHFFFAOYSA-N -1 3 374.890 2.054 20 10 FECDHM COc1cc(Br)cc(CN2CC(F)(F)C[C@H]2CO)c1[O-] ZINC000372635815 557526543 /nfs/dbraw/zinc/52/65/43/557526543.db2.gz CSGVANLBIITOFV-JTQLQIEISA-N -1 3 352.175 2.365 20 10 FECDHM CCOC(=O)C1(C)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000373909020 557784654 /nfs/dbraw/zinc/78/46/54/557784654.db2.gz FBZLIQXSGIFURK-UHFFFAOYSA-N -1 3 352.387 2.474 20 10 FECDHM Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232905 598610543 /nfs/dbraw/zinc/61/05/43/598610543.db2.gz FLSYBEILBGNFCE-CYBMUJFWSA-N -1 3 366.425 2.135 20 10 FECDHM COCCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688762 607402687 /nfs/dbraw/zinc/40/26/87/607402687.db2.gz ZCRCVRIKHCNFAC-BAQGIRSFSA-N -1 3 364.409 2.263 20 10 FECDHM COCCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688762 607402689 /nfs/dbraw/zinc/40/26/89/607402689.db2.gz ZCRCVRIKHCNFAC-BAQGIRSFSA-N -1 3 364.409 2.263 20 10 FECDHM O=C([O-])C1CCN(C(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000738545246 600148381 /nfs/dbraw/zinc/14/83/81/600148381.db2.gz NSISKBXYHKZTOD-UHFFFAOYSA-N -1 3 360.454 2.460 20 10 FECDHM O=C([O-])C1CCN(C(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000738545246 600148382 /nfs/dbraw/zinc/14/83/82/600148382.db2.gz NSISKBXYHKZTOD-UHFFFAOYSA-N -1 3 360.454 2.460 20 10 FECDHM [O-]c1ccc(Br)cc1CNCc1cn(Cc2cccnc2)nn1 ZINC000809713618 674506782 /nfs/dbraw/zinc/50/67/82/674506782.db2.gz UPGSRGVRANCIJE-UHFFFAOYSA-N -1 3 374.242 2.479 20 10 FECDHM C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825871333 603854122 /nfs/dbraw/zinc/85/41/22/603854122.db2.gz DOWCEWWEEIHILV-CPUCHLNUSA-N -1 3 362.474 2.050 20 10 FECDHM CN1CCc2cc(C=C3N=C(c4ccc(-c5nnn[n-]5)cc4)OC3=O)ccc21 ZINC000826045575 607680073 /nfs/dbraw/zinc/68/00/73/607680073.db2.gz ZOPIFOYPYMUWKB-LFIBNONCSA-N -1 3 372.388 2.204 20 10 FECDHM CN1CCc2cc(C=C3N=C(c4ccc(-c5nn[n-]n5)cc4)OC3=O)ccc21 ZINC000826045575 607680075 /nfs/dbraw/zinc/68/00/75/607680075.db2.gz ZOPIFOYPYMUWKB-LFIBNONCSA-N -1 3 372.388 2.204 20 10 FECDHM COc1ccc(O)c([C@H](C)NCC(=O)NCc2ccc(NC(=O)[O-])cc2)c1 ZINC000833733427 605124743 /nfs/dbraw/zinc/12/47/43/605124743.db2.gz HRYQRMQMMZIFNH-LBPRGKRZSA-N -1 3 373.409 2.458 20 10 FECDHM CCN(CC)CCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000810080426 674530189 /nfs/dbraw/zinc/53/01/89/674530189.db2.gz XEUZLPYEDUOSGU-UHFFFAOYSA-N -1 3 355.287 2.460 20 10 FECDHM COc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821838830 606352631 /nfs/dbraw/zinc/35/26/31/606352631.db2.gz QENXEOQWCGDDIT-UHFFFAOYSA-N -1 3 358.333 2.042 20 10 FECDHM COc1ccc(O)c(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821838830 606352632 /nfs/dbraw/zinc/35/26/32/606352632.db2.gz QENXEOQWCGDDIT-UHFFFAOYSA-N -1 3 358.333 2.042 20 10 FECDHM O=C(NCc1c(O)ccc2c1CCCC2)c1cc(-c2nnn[n-]2)cs1 ZINC000823229541 606585964 /nfs/dbraw/zinc/58/59/64/606585964.db2.gz WWZOLVUZOUFDRU-UHFFFAOYSA-N -1 3 355.423 2.443 20 10 FECDHM O=C(NCc1c(O)ccc2c1CCCC2)c1cc(-c2nn[n-]n2)cs1 ZINC000823229541 606585965 /nfs/dbraw/zinc/58/59/65/606585965.db2.gz WWZOLVUZOUFDRU-UHFFFAOYSA-N -1 3 355.423 2.443 20 10 FECDHM CN(Cc1cc2c(cc1O)OC[C@H]2O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825954110 608545957 /nfs/dbraw/zinc/54/59/57/608545957.db2.gz VYEDQDBSDQXFDL-OAHLLOKOSA-N -1 3 373.800 2.288 20 10 FECDHM CN(Cc1cc2c(cc1O)OC[C@H]2O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825954110 608545958 /nfs/dbraw/zinc/54/59/58/608545958.db2.gz VYEDQDBSDQXFDL-OAHLLOKOSA-N -1 3 373.800 2.288 20 10 FECDHM Cc1ccnc(NCc2ccc(N3CCOCC3)c(F)c2)c1-c1nnn[n-]1 ZINC000826314111 609538054 /nfs/dbraw/zinc/53/80/54/609538054.db2.gz HBYPWNSFDGVBLB-UHFFFAOYSA-N -1 3 369.404 2.158 20 10 FECDHM Cc1ccnc(NCc2ccc(N3CCOCC3)c(F)c2)c1-c1nn[n-]n1 ZINC000826314111 609538055 /nfs/dbraw/zinc/53/80/55/609538055.db2.gz HBYPWNSFDGVBLB-UHFFFAOYSA-N -1 3 369.404 2.158 20 10 FECDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000069649662 670487506 /nfs/dbraw/zinc/48/75/06/670487506.db2.gz MFUOXWJHGNBBBE-UHFFFAOYSA-N -1 3 371.365 2.418 20 10 FECDHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)c1 ZINC000734499640 673465361 /nfs/dbraw/zinc/46/53/61/673465361.db2.gz FVJAAHPXQBLROQ-UHFFFAOYSA-N -1 3 368.480 2.388 20 10 FECDHM COc1c([O-])c(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000825124679 675637769 /nfs/dbraw/zinc/63/77/69/675637769.db2.gz WAFBPIBWTWOIIQ-NOZJJQNGSA-N -1 3 350.293 2.054 20 10 FECDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)c(C)cc2[O-])[C@@H](C(=O)OC)C1 ZINC000825468126 675654712 /nfs/dbraw/zinc/65/47/12/675654712.db2.gz GIUCMYJZXVYGTJ-BXUZGUMPSA-N -1 3 355.818 2.281 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C[C@H](C)S(C)(=O)=O ZINC000827945626 675788142 /nfs/dbraw/zinc/78/81/42/675788142.db2.gz YATGOUXFZROQFW-JTQLQIEISA-N -1 3 350.278 2.410 20 10 FECDHM O=C(NC1CC1)N[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000761228968 680715871 /nfs/dbraw/zinc/71/58/71/680715871.db2.gz PNRRVXPQJNNFKW-GFCCVEGCSA-N -1 3 354.248 2.191 20 10 FECDHM CCN(CC)C(=O)CN1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840909892 680852222 /nfs/dbraw/zinc/85/22/22/680852222.db2.gz MKVPXGPHEZPTPP-UHFFFAOYSA-N -1 3 353.894 2.340 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000769720134 680992627 /nfs/dbraw/zinc/99/26/27/680992627.db2.gz OIRRLYVBQIESSL-HNNXBMFYSA-N -1 3 361.423 2.136 20 10 FECDHM C[C@]1(C(F)(F)F)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000874482650 685400011 /nfs/dbraw/zinc/40/00/11/685400011.db2.gz WQFPJFDWWKTMMD-ZDUSSCGKSA-N -1 3 366.361 2.178 20 10 FECDHM C[C@]1(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@]1(F)Cl ZINC000846414298 681237979 /nfs/dbraw/zinc/23/79/79/681237979.db2.gz WWZGLEWMBDUIJV-KBPBESRZSA-N -1 3 364.826 2.198 20 10 FECDHM COCCO[C@@H]1C[C@@H](CO)CN(Cc2cccc(Br)c2[O-])C1 ZINC000775204522 681284812 /nfs/dbraw/zinc/28/48/12/681284812.db2.gz ORJWNAWUZBHYKA-TZMCWYRMSA-N -1 3 374.275 2.001 20 10 FECDHM CC(C)(C)OC(=O)CC1(NC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000854930348 682610531 /nfs/dbraw/zinc/61/05/31/682610531.db2.gz WSOCGLMPKJILMO-UHFFFAOYSA-N -1 3 351.399 2.109 20 10 FECDHM C[C@H](N[C@H](CO)c1ccnn1C)c1cc(Br)c(F)cc1[O-] ZINC000858434805 682968155 /nfs/dbraw/zinc/96/81/55/682968155.db2.gz PZVDPIIYRDDCCR-QPUJVOFHSA-N -1 3 358.211 2.412 20 10 FECDHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921450950 683472330 /nfs/dbraw/zinc/47/23/30/683472330.db2.gz HXBSKYUFXVSWSN-AWEZNQCLSA-N -1 3 353.415 2.208 20 10 FECDHM COC(=O)CN(Cc1c([O-])cccc1Br)C1CCOCC1 ZINC000862249905 683559229 /nfs/dbraw/zinc/55/92/29/683559229.db2.gz GETWTEJAGDZGKN-UHFFFAOYSA-N -1 3 358.232 2.309 20 10 FECDHM O=C1CN(Cc2c([O-])cccc2Br)CCN1CC(F)(F)F ZINC000862365494 683578067 /nfs/dbraw/zinc/57/80/67/683578067.db2.gz AEGIHNIDIDZMIQ-UHFFFAOYSA-N -1 3 367.165 2.361 20 10 FECDHM NS(=O)(=O)c1cccc2c1CCN(Cc1c([O-])cccc1Cl)C2 ZINC000877761166 686450348 /nfs/dbraw/zinc/45/03/48/686450348.db2.gz CICJHXRHRNRHNX-UHFFFAOYSA-N -1 3 352.843 2.251 20 10 FECDHM Cn1nnnc1C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000877781454 686456419 /nfs/dbraw/zinc/45/64/19/686456419.db2.gz HURSMGWXAIFWQR-UHFFFAOYSA-N -1 3 352.236 2.058 20 10 FECDHM COc1ccccc1CCNC(=O)CNCc1cc(F)cc(F)c1[O-] ZINC000883109930 687567557 /nfs/dbraw/zinc/56/75/57/687567557.db2.gz JGZJQSQGBHSIAS-UHFFFAOYSA-N -1 3 350.365 2.128 20 10 FECDHM CC(C)CN1CCO[C@@H](CNC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000891597046 689081578 /nfs/dbraw/zinc/08/15/78/689081578.db2.gz DWFHRYPGNWQJLR-AWEZNQCLSA-N -1 3 355.866 2.202 20 10 FECDHM O=C1CC2(CN1)CCN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC000894032323 689453609 /nfs/dbraw/zinc/45/36/09/689453609.db2.gz IPJCMBWTIGTJRR-UHFFFAOYSA-N -1 3 357.223 2.396 20 10 FECDHM Cc1cc([O-])c(CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1Cl ZINC000895378990 689706778 /nfs/dbraw/zinc/70/67/78/689706778.db2.gz LAVCJYMDGJQWJP-CMJOXMDJSA-N -1 3 353.875 2.393 20 10 FECDHM Cc1cc(Cl)nc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000800574123 674063174 /nfs/dbraw/zinc/06/31/74/674063174.db2.gz FZGKREHMRCHZIT-UHFFFAOYSA-N -1 3 369.830 2.051 20 10 FECDHM C[C@@H](CCc1ccco1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055128913 540630684 /nfs/dbraw/zinc/63/06/84/540630684.db2.gz CSIFILPMZCVZNF-NSHDSACASA-N -1 3 352.412 2.108 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000093664311 542937000 /nfs/dbraw/zinc/93/70/00/542937000.db2.gz KNKVAQWWPUCEOP-GFCCVEGCSA-N -1 3 355.822 2.108 20 10 FECDHM C[C@H]1CC(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)O1 ZINC000802196030 674168221 /nfs/dbraw/zinc/16/82/21/674168221.db2.gz ZBSRRIZTTSDVTF-RYUDHWBXSA-N -1 3 370.471 2.087 20 10 FECDHM O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000804202283 674276015 /nfs/dbraw/zinc/27/60/15/674276015.db2.gz MBWLCHWBAXPEQR-SNVBAGLBSA-N -1 3 360.332 2.019 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCC(N3CCO[C@@H](C)C3)CC2)c1[O-] ZINC000177280098 546585824 /nfs/dbraw/zinc/58/58/24/546585824.db2.gz UFXSZJNQHYQUBB-ZDUSSCGKSA-N -1 3 350.434 2.419 20 10 FECDHM Cc1cc(Br)cc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1[O-] ZINC000180350555 547089439 /nfs/dbraw/zinc/08/94/39/547089439.db2.gz KMVZAASOAXIYDE-WDEREUQCSA-N -1 3 362.289 2.471 20 10 FECDHM Cc1ccc(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c([O-])c1O ZINC000182503901 547504768 /nfs/dbraw/zinc/50/47/68/547504768.db2.gz BKMDFDLOJQYAFO-UHFFFAOYSA-N -1 3 358.369 2.030 20 10 FECDHM COc1ccc(CN2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1F ZINC000186786148 548192062 /nfs/dbraw/zinc/19/20/62/548192062.db2.gz KBUNFMGJDZISGP-UHFFFAOYSA-N -1 3 360.385 2.204 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000186834562 548203092 /nfs/dbraw/zinc/20/30/92/548203092.db2.gz ZSCYWKBLXKNLJQ-CYBMUJFWSA-N -1 3 356.426 2.436 20 10 FECDHM CCCN(Cc1ccccc1O)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000268598473 550091723 /nfs/dbraw/zinc/09/17/23/550091723.db2.gz DINMQUAYESPSGK-UHFFFAOYSA-N -1 3 368.480 2.171 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)[C@@H]1CCOC1 ZINC000269768428 550223728 /nfs/dbraw/zinc/22/37/28/550223728.db2.gz FDEXRLJKHJIGOT-GFCCVEGCSA-N -1 3 364.261 2.095 20 10 FECDHM Cc1csc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000271242820 550357079 /nfs/dbraw/zinc/35/70/79/550357079.db2.gz HVVYHUASHQRXAO-UHFFFAOYSA-N -1 3 369.468 2.194 20 10 FECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCC(=O)NCc2ccc(OC)cc2)c1 ZINC000273362653 550495580 /nfs/dbraw/zinc/49/55/80/550495580.db2.gz DHBKTHOSZZICKL-CYBMUJFWSA-N -1 3 372.421 2.154 20 10 FECDHM C[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273398505 550497104 /nfs/dbraw/zinc/49/71/04/550497104.db2.gz MQMHRGVANDITKC-AWEZNQCLSA-N -1 3 371.441 2.298 20 10 FECDHM C[C@H](NCc1cccnc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273411014 550497576 /nfs/dbraw/zinc/49/75/76/550497576.db2.gz POXBMMHSEUWBIR-ZDUSSCGKSA-N -1 3 358.398 2.383 20 10 FECDHM Cc1cc(Br)cc(CN2CCC[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000274105373 550523312 /nfs/dbraw/zinc/52/33/12/550523312.db2.gz KQZWNSYUFUHHJI-ZDUSSCGKSA-N -1 3 362.289 2.472 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CCOCC(F)F ZINC000276784595 550595511 /nfs/dbraw/zinc/59/55/11/550595511.db2.gz IOAPSYKNABWLCW-UHFFFAOYSA-N -1 3 365.760 2.219 20 10 FECDHM C[C@H](C(=O)NCc1cccc(Br)c1[O-])N1CCSCC1 ZINC000277602696 550690442 /nfs/dbraw/zinc/69/04/42/550690442.db2.gz UJXCMHQWBNALLO-SNVBAGLBSA-N -1 3 359.289 2.208 20 10 FECDHM COc1c([O-])c(CNCC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278104203 550749419 /nfs/dbraw/zinc/74/94/19/550749419.db2.gz AKGGHYBPCZRPPG-UHFFFAOYSA-N -1 3 351.403 2.190 20 10 FECDHM COc1c([O-])c(CN2CCC(N3CCCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000278240786 550764522 /nfs/dbraw/zinc/76/45/22/550764522.db2.gz NUIODWZRODIDDC-UHFFFAOYSA-N -1 3 363.414 2.286 20 10 FECDHM COc1ccc2c(c1)nc(CNCc1ccc([N+](=O)[O-])c(OC)c1[O-])n2C ZINC000278542829 550797344 /nfs/dbraw/zinc/79/73/44/550797344.db2.gz XUNYRVDSBYVGSL-UHFFFAOYSA-N -1 3 372.381 2.494 20 10 FECDHM CS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000294067226 552879442 /nfs/dbraw/zinc/87/94/42/552879442.db2.gz YGAMESOCWCDYND-LLVKDONJSA-N -1 3 362.289 2.411 20 10 FECDHM COc1c([O-])c(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000366791231 555935037 /nfs/dbraw/zinc/93/50/37/555935037.db2.gz CGSGBBDQLUSZIE-FHSNZYRGSA-N -1 3 366.414 2.467 20 10 FECDHM CCn1ccnc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1=O ZINC000368464365 556317366 /nfs/dbraw/zinc/31/73/66/556317366.db2.gz ACBUEZYZINVFSK-HNNXBMFYSA-N -1 3 362.861 2.699 20 10 FECDHM COCC[C@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000368493981 556326275 /nfs/dbraw/zinc/32/62/75/556326275.db2.gz WVLMRZOGYOEHGA-CYBMUJFWSA-N -1 3 370.471 2.043 20 10 FECDHM CCCOc1ccc(CN2CCOC[C@H]2c2noc(COC)n2)c([O-])c1 ZINC000374803488 557933807 /nfs/dbraw/zinc/93/38/07/557933807.db2.gz VFOPBEWZGRUZJP-HNNXBMFYSA-N -1 3 363.414 2.284 20 10 FECDHM Cc1cc(C(=O)OCCCCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737244079 598845612 /nfs/dbraw/zinc/84/56/12/598845612.db2.gz YFHAIVSCYCUVBM-UHFFFAOYSA-N -1 3 355.398 2.204 20 10 FECDHM COC[C@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736972157 598857351 /nfs/dbraw/zinc/85/73/51/598857351.db2.gz WMGFENRUDRLEMO-LBPRGKRZSA-N -1 3 355.398 2.466 20 10 FECDHM CCOc1ccc(N(C)CC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736644803 598864951 /nfs/dbraw/zinc/86/49/51/598864951.db2.gz PNCQNNFCPRHRMV-UHFFFAOYSA-N -1 3 366.425 2.018 20 10 FECDHM CCOc1ccc(N(C)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736644803 598864953 /nfs/dbraw/zinc/86/49/53/598864953.db2.gz PNCQNNFCPRHRMV-UHFFFAOYSA-N -1 3 366.425 2.018 20 10 FECDHM CCOc1ccc(N(C)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736643999 598865057 /nfs/dbraw/zinc/86/50/57/598865057.db2.gz DDJZQLODWWYNEN-UHFFFAOYSA-N -1 3 366.425 2.018 20 10 FECDHM CCOc1ccc(N(C)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736643999 598865059 /nfs/dbraw/zinc/86/50/59/598865059.db2.gz DDJZQLODWWYNEN-UHFFFAOYSA-N -1 3 366.425 2.018 20 10 FECDHM CCC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736304572 598622699 /nfs/dbraw/zinc/62/26/99/598622699.db2.gz OCAUFIUNOHPTMG-UHFFFAOYSA-N -1 3 353.382 2.410 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737106667 598779149 /nfs/dbraw/zinc/77/91/49/598779149.db2.gz WTGHCCKDXOKYDH-NSHDSACASA-N -1 3 353.382 2.001 20 10 FECDHM COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106667 598779150 /nfs/dbraw/zinc/77/91/50/598779150.db2.gz WTGHCCKDXOKYDH-NSHDSACASA-N -1 3 353.382 2.001 20 10 FECDHM CCN(CC)c1ccc(CN(C)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821198862 606214641 /nfs/dbraw/zinc/21/46/41/606214641.db2.gz WZQFFWLLDFVOBF-UHFFFAOYSA-N -1 3 367.457 2.324 20 10 FECDHM CCN(CC)c1ccc(CN(C)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821198862 606214642 /nfs/dbraw/zinc/21/46/42/606214642.db2.gz WZQFFWLLDFVOBF-UHFFFAOYSA-N -1 3 367.457 2.324 20 10 FECDHM COc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1F ZINC000821831935 606633927 /nfs/dbraw/zinc/63/39/27/606633927.db2.gz SXQBHMYOBVIENA-UHFFFAOYSA-N -1 3 354.389 2.341 20 10 FECDHM Cc1cc(C(=O)N(C)CC[C@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167725 606798496 /nfs/dbraw/zinc/79/84/96/606798496.db2.gz GQJNWUMDCRIXDO-ZDUSSCGKSA-N -1 3 368.441 2.117 20 10 FECDHM CC1(C2CC2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000812273701 674660776 /nfs/dbraw/zinc/66/07/76/674660776.db2.gz GTXBYDNSSXLAET-UHFFFAOYSA-N -1 3 352.456 2.416 20 10 FECDHM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000816907865 675085449 /nfs/dbraw/zinc/08/54/49/675085449.db2.gz KAQIGBOLHRUFSU-QWRGUYRKSA-N -1 3 354.378 2.175 20 10 FECDHM CC(C)[C@@H](CNC(=O)c1cccc(O)c1[O-])ONC(=O)OC(C)(C)C ZINC000817617396 675153686 /nfs/dbraw/zinc/15/36/86/675153686.db2.gz RWAIJPHPZKACIJ-CYBMUJFWSA-N -1 3 354.403 2.309 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763730297 680791042 /nfs/dbraw/zinc/79/10/42/680791042.db2.gz OSSLSHKCTSQEGN-ZDUSSCGKSA-N -1 3 353.802 2.116 20 10 FECDHM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000751316837 680167377 /nfs/dbraw/zinc/16/73/77/680167377.db2.gz CGCVMBTWHPDEJC-SECBINFHSA-N -1 3 370.358 2.488 20 10 FECDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(Br)c(F)cc1[O-] ZINC000756776546 680497175 /nfs/dbraw/zinc/49/71/75/680497175.db2.gz PXSLEUSOVZYJPR-AMIZOPFISA-N -1 3 358.211 2.412 20 10 FECDHM CC(C)O[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000768494623 680948426 /nfs/dbraw/zinc/94/84/26/680948426.db2.gz PQCCLBBISSJLOR-LSDHHAIUSA-N -1 3 370.471 2.086 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC(F)F)CC2CCC2)c1 ZINC000770145011 681007051 /nfs/dbraw/zinc/00/70/51/681007051.db2.gz CAHFYFPBMZGONL-UHFFFAOYSA-N -1 3 362.398 2.271 20 10 FECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCC(=O)C1 ZINC000843831523 681020982 /nfs/dbraw/zinc/02/09/82/681020982.db2.gz QEVQJRFXTIDWHD-IUODEOHRSA-N -1 3 350.846 2.495 20 10 FECDHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1C(N)=O ZINC000775291195 681293524 /nfs/dbraw/zinc/29/35/24/681293524.db2.gz FDWCWANNAAVUNU-UHFFFAOYSA-N -1 3 364.423 2.226 20 10 FECDHM Cc1ccc(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)c([O-])c1O ZINC000780968545 681891329 /nfs/dbraw/zinc/89/13/29/681891329.db2.gz JRYGJDCRXNUENA-UHFFFAOYSA-N -1 3 353.371 2.342 20 10 FECDHM COC(=O)CN(Cc1nnc(C(C)C)[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000794410600 682966463 /nfs/dbraw/zinc/96/64/63/682966463.db2.gz DBKNWOPRZLNVME-UHFFFAOYSA-N -1 3 352.822 2.462 20 10 FECDHM CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921451802 683472654 /nfs/dbraw/zinc/47/26/54/683472654.db2.gz WDZIXGSZAMBUHV-CQSZACIVSA-N -1 3 371.405 2.348 20 10 FECDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1c([O-])cccc1Br ZINC000862245208 683557890 /nfs/dbraw/zinc/55/78/90/683557890.db2.gz KDHRQUNRWSHZFW-JTQLQIEISA-N -1 3 350.278 2.410 20 10 FECDHM [O-]c1cccc(Br)c1CN1CCN(c2ncc(F)cn2)CC1 ZINC000862326039 683568789 /nfs/dbraw/zinc/56/87/89/683568789.db2.gz IONYPOCPCYSOTM-UHFFFAOYSA-N -1 3 367.222 2.406 20 10 FECDHM COC(=O)C(C)(C)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862331781 683571746 /nfs/dbraw/zinc/57/17/46/683571746.db2.gz PHBWRJKEKOBTMU-UHFFFAOYSA-N -1 3 371.275 2.224 20 10 FECDHM CCOC(=O)C[C@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000931910826 684368857 /nfs/dbraw/zinc/36/88/57/684368857.db2.gz ILADVSQFCWPMIB-NSHDSACASA-N -1 3 352.284 2.215 20 10 FECDHM COC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(Br)cc1[O-] ZINC000895867385 689784808 /nfs/dbraw/zinc/78/48/08/689784808.db2.gz WTOAVIHDLYXXRX-CHWSQXEVSA-N -1 3 358.232 2.355 20 10 FECDHM Cn1cc(S(=O)(=O)NCc2c([O-])cccc2F)c(C2CCCC2)n1 ZINC000907423200 691477604 /nfs/dbraw/zinc/47/76/04/691477604.db2.gz MSXVTPBPUGKCOT-UHFFFAOYSA-N -1 3 353.419 2.401 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000053697545 540550128 /nfs/dbraw/zinc/55/01/28/540550128.db2.gz HGBPBQPRKOSFSN-UHFFFAOYSA-N -1 3 350.415 2.141 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CCN([C@H]3CCOC3)CC2)c1 ZINC000827120485 675731154 /nfs/dbraw/zinc/73/11/54/675731154.db2.gz TYNYQQZESUWPCJ-AWEZNQCLSA-N -1 3 355.276 2.370 20 10 FECDHM CC(=O)c1cc(F)cc(CN(CCO)CCOCC(F)(F)F)c1[O-] ZINC000079434909 542518483 /nfs/dbraw/zinc/51/84/83/542518483.db2.gz FDFZAWUVEZPNQZ-UHFFFAOYSA-N -1 3 353.312 2.107 20 10 FECDHM CCn1c2nnc(CN(C)Cc3ccccc3[O-])n2c2ccccc2c1=O ZINC000109771666 543338340 /nfs/dbraw/zinc/33/83/40/543338340.db2.gz MAXATAAGICRFNT-UHFFFAOYSA-N -1 3 363.421 2.402 20 10 FECDHM O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cccc(O)c1[O-] ZINC000804729382 674299002 /nfs/dbraw/zinc/29/90/02/674299002.db2.gz KLIHDCPMVVKQGP-UHFFFAOYSA-N -1 3 350.321 2.465 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000175361645 546309549 /nfs/dbraw/zinc/30/95/49/546309549.db2.gz RXMYJHGJBJQTJF-HNNXBMFYSA-N -1 3 374.462 2.469 20 10 FECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c([O-])c1O ZINC000177669759 546664337 /nfs/dbraw/zinc/66/43/37/546664337.db2.gz JBOQLCVKDBFPBL-UHFFFAOYSA-N -1 3 358.369 2.144 20 10 FECDHM Cc1ccc(CN2CC[C@@H](NCc3cc([N+](=O)[O-])ccc3[O-])C2=O)cc1 ZINC000191801268 548351037 /nfs/dbraw/zinc/35/10/37/548351037.db2.gz CJGCGZVIBKTWRX-QGZVFWFLSA-N -1 3 355.394 2.500 20 10 FECDHM CS[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000265412326 550009510 /nfs/dbraw/zinc/00/95/10/550009510.db2.gz ZCIZKPBVGUTQBH-CMPLNLGQSA-N -1 3 358.485 2.168 20 10 FECDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC000267325411 550030084 /nfs/dbraw/zinc/03/00/84/550030084.db2.gz ICCWEWNQZZPPRI-UHFFFAOYSA-N -1 3 365.411 2.148 20 10 FECDHM Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)c([O-])c1O ZINC000271285574 550360914 /nfs/dbraw/zinc/36/09/14/550360914.db2.gz OYTDJVWLHAILSE-UHFFFAOYSA-N -1 3 370.405 2.439 20 10 FECDHM CC[C@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nccs1 ZINC000271384125 550371160 /nfs/dbraw/zinc/37/11/60/550371160.db2.gz KSBNSJURXABKNK-HNNXBMFYSA-N -1 3 369.468 2.275 20 10 FECDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C)c2[O-])[C@@H](C(=O)OC)C1 ZINC000272536318 550456846 /nfs/dbraw/zinc/45/68/46/550456846.db2.gz OGAXXDNICMQTON-BXUZGUMPSA-N -1 3 355.818 2.281 20 10 FECDHM Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)C(C)C)c([O-])c1O ZINC000272748321 550468768 /nfs/dbraw/zinc/46/87/68/550468768.db2.gz NPFHRXKJKVGRPL-DGCLKSJQSA-N -1 3 352.456 2.082 20 10 FECDHM COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272893311 550475874 /nfs/dbraw/zinc/47/58/74/550475874.db2.gz ZNZDVSCBZGJKBA-UHFFFAOYSA-N -1 3 359.378 2.424 20 10 FECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccc(N3CCOCC3)n2)c1 ZINC000274799240 550555299 /nfs/dbraw/zinc/55/52/99/550555299.db2.gz UNTKYSJZYOZZND-CQSZACIVSA-N -1 3 371.437 2.261 20 10 FECDHM CCCCNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278216767 550762062 /nfs/dbraw/zinc/76/20/62/550762062.db2.gz KVPCKPQOFQZINN-UHFFFAOYSA-N -1 3 365.430 2.437 20 10 FECDHM CCCn1ncnc1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000279081370 550853174 /nfs/dbraw/zinc/85/31/74/550853174.db2.gz LYNHGQBLUSWADX-UHFFFAOYSA-N -1 3 352.822 2.222 20 10 FECDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]21 ZINC000280460848 550996669 /nfs/dbraw/zinc/99/66/69/550996669.db2.gz MEEKAPVRLXBRBG-IACUBPJLSA-N -1 3 362.426 2.473 20 10 FECDHM COc1ccc(N2CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)cc1F ZINC000282316959 551211061 /nfs/dbraw/zinc/21/10/61/551211061.db2.gz HKDKDCCVRDQHBJ-UHFFFAOYSA-N -1 3 373.363 2.207 20 10 FECDHM COc1ccc(N2CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)cc1F ZINC000282316959 551211063 /nfs/dbraw/zinc/21/10/63/551211063.db2.gz HKDKDCCVRDQHBJ-UHFFFAOYSA-N -1 3 373.363 2.207 20 10 FECDHM COc1ccc(N2CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)cc1F ZINC000282316959 551211064 /nfs/dbraw/zinc/21/10/64/551211064.db2.gz HKDKDCCVRDQHBJ-UHFFFAOYSA-N -1 3 373.363 2.207 20 10 FECDHM O=[N+]([O-])c1ccc([O-])c(CNCCS(=O)(=O)CCc2ccccc2)c1 ZINC000282806631 551272436 /nfs/dbraw/zinc/27/24/36/551272436.db2.gz XMZKSNMSZXWRKQ-UHFFFAOYSA-N -1 3 364.423 2.048 20 10 FECDHM Cc1noc(C)c1C(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000286502813 551893709 /nfs/dbraw/zinc/89/37/09/551893709.db2.gz KMLXHONTIKCNFQ-UHFFFAOYSA-N -1 3 367.427 2.034 20 10 FECDHM Cc1cc(Br)cc(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c1[O-] ZINC000290920909 552562263 /nfs/dbraw/zinc/56/22/63/552562263.db2.gz NVLQFXYOKIUKJU-QWRGUYRKSA-N -1 3 362.289 2.471 20 10 FECDHM CSCC1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000295620498 553034852 /nfs/dbraw/zinc/03/48/52/553034852.db2.gz ZOOGRFPVEISYBE-UHFFFAOYSA-N -1 3 372.512 2.415 20 10 FECDHM CCOC(=O)C1([S@](C)=O)CCN([C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000296249390 553129384 /nfs/dbraw/zinc/12/93/84/553129384.db2.gz CWFKIZRYWZPQGB-YYUOZPCZSA-N -1 3 357.447 2.369 20 10 FECDHM COc1c([O-])c(CN[C@@H](c2nc[nH]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000365157893 555498015 /nfs/dbraw/zinc/49/80/15/555498015.db2.gz ZHXINIXEHDZAGS-CQSZACIVSA-N -1 3 355.354 2.306 20 10 FECDHM COc1c([O-])c(CN[C@@H](c2nnc[nH]2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000365157893 555498017 /nfs/dbraw/zinc/49/80/17/555498017.db2.gz ZHXINIXEHDZAGS-CQSZACIVSA-N -1 3 355.354 2.306 20 10 FECDHM C[C@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000365758773 555660937 /nfs/dbraw/zinc/66/09/37/555660937.db2.gz PKWIPUBFEFRXFK-DNVCBOLYSA-N -1 3 370.449 2.459 20 10 FECDHM CCOC(=O)c1cnn(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1C ZINC000376026116 558115586 /nfs/dbraw/zinc/11/55/86/558115586.db2.gz OKUIKJCEOOWAJZ-UHFFFAOYSA-N -1 3 373.409 2.257 20 10 FECDHM C[C@H]1CC[C@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000376873063 558232330 /nfs/dbraw/zinc/23/23/30/558232330.db2.gz XEZJNYKTUMIFRU-SJCJKPOMSA-N -1 3 352.456 2.416 20 10 FECDHM Cc1cc(Cl)cc(CN2CCn3c(nnc3-c3cnn(C)c3)C2)c1[O-] ZINC000378437120 558557146 /nfs/dbraw/zinc/55/71/46/558557146.db2.gz FIZLNYQLEPFVSO-UHFFFAOYSA-N -1 3 358.833 2.362 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CC3(CCOCC3)CC[C@H]2CO)c1[O-] ZINC000528642829 562339940 /nfs/dbraw/zinc/33/99/40/562339940.db2.gz WSSUKEWFMAIBRE-INIZCTEOSA-N -1 3 351.418 2.487 20 10 FECDHM CC[C@@H](COC)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736354685 599576285 /nfs/dbraw/zinc/57/62/85/599576285.db2.gz WGSQSBBWXYRFJJ-HNNXBMFYSA-N -1 3 368.441 2.429 20 10 FECDHM NC(=O)[C@H](c1ccccc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000809728682 674507520 /nfs/dbraw/zinc/50/75/20/674507520.db2.gz FKQZZOZPBXWXPP-SFHVURJKSA-N -1 3 359.857 2.390 20 10 FECDHM CO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000821697651 606581167 /nfs/dbraw/zinc/58/11/67/606581167.db2.gz KMHPCSSTLWMGET-INIZCTEOSA-N -1 3 366.425 2.135 20 10 FECDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1Cc1ccon1 ZINC000823505207 606975937 /nfs/dbraw/zinc/97/59/37/606975937.db2.gz ZDZFKIHCVQPIPL-KPKJPENVSA-N -1 3 370.419 2.256 20 10 FECDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)SC(=S)N1Cc1ccon1 ZINC000823505207 606975939 /nfs/dbraw/zinc/97/59/39/606975939.db2.gz ZDZFKIHCVQPIPL-KPKJPENVSA-N -1 3 370.419 2.256 20 10 FECDHM Cc1cc(C(=O)NC(C)(C)[C@@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258219 609416818 /nfs/dbraw/zinc/41/68/18/609416818.db2.gz DTBKSCWWQZDOLV-CYBMUJFWSA-N -1 3 368.441 2.163 20 10 FECDHM CCN(CC)CC(=O)N1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816502935 675060671 /nfs/dbraw/zinc/06/06/71/675060671.db2.gz WLRYWHJIBFSXHD-UHFFFAOYSA-N -1 3 357.857 2.171 20 10 FECDHM COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3c(C)noc3C)C2)cc1 ZINC000062575234 670402371 /nfs/dbraw/zinc/40/23/71/670402371.db2.gz GUGPJBJUPXWANG-CQSZACIVSA-N -1 3 365.455 2.105 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000819797671 675315655 /nfs/dbraw/zinc/31/56/55/675315655.db2.gz CQPGUACATJRPST-QWHCGFSZSA-N -1 3 352.456 2.462 20 10 FECDHM COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3ccc(C)o3)C2)cc1 ZINC000819886676 675319112 /nfs/dbraw/zinc/31/91/12/675319112.db2.gz AJLPDWYQVNCFGI-CQSZACIVSA-N -1 3 350.440 2.401 20 10 FECDHM Cc1cc([O-])c(CN2CCN(CC(=O)N3CCCC3)CC2)cc1Cl ZINC000824534684 675609254 /nfs/dbraw/zinc/60/92/54/675609254.db2.gz IEHQNDUFLARLCT-UHFFFAOYSA-N -1 3 351.878 2.094 20 10 FECDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])[C@H]2CCC[C@H]21 ZINC000825201793 675641475 /nfs/dbraw/zinc/64/14/75/675641475.db2.gz NYDGLQKKIJCESW-GXTWGEPZSA-N -1 3 360.273 2.306 20 10 FECDHM CC[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC(F)(F)F ZINC000839846382 680782946 /nfs/dbraw/zinc/78/29/46/680782946.db2.gz UGKPQLPTZGCXFC-VIFPVBQESA-N -1 3 368.377 2.472 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CC2(CC2)C(=O)O1 ZINC000763730296 680790962 /nfs/dbraw/zinc/79/09/62/680790962.db2.gz OSSLSHKCTSQEGN-CYBMUJFWSA-N -1 3 353.802 2.116 20 10 FECDHM COC(=O)[C@@H]1CSCCN(Cc2cccc(Br)c2[O-])C1 ZINC000840977872 680858495 /nfs/dbraw/zinc/85/84/95/680858495.db2.gz NUEJRWUDGGFNRG-NSHDSACASA-N -1 3 360.273 2.493 20 10 FECDHM CC(=O)c1cc(Cl)cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1[O-] ZINC000750044508 680097533 /nfs/dbraw/zinc/09/75/33/680097533.db2.gz YKDZCCNGQBDXHU-DLBZAZTESA-N -1 3 352.862 2.279 20 10 FECDHM CC(C)OC1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000752633237 680252238 /nfs/dbraw/zinc/25/22/38/680252238.db2.gz WDEUNJYSYDAZKD-UHFFFAOYSA-N -1 3 370.471 2.230 20 10 FECDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Br)cc(F)c1[O-] ZINC000756776442 680497237 /nfs/dbraw/zinc/49/72/37/680497237.db2.gz PGLYEMKTAWRQEY-SDBXPKJASA-N -1 3 358.211 2.412 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCS(=O)(=O)C[C@H]2C2CC2)c1[O-] ZINC000933921036 681483548 /nfs/dbraw/zinc/48/35/48/681483548.db2.gz AAQABLRTFNDSFK-INIZCTEOSA-N -1 3 355.431 2.133 20 10 FECDHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000848323740 681514750 /nfs/dbraw/zinc/51/47/50/681514750.db2.gz FBFIQOGGPSJYCQ-SNVBAGLBSA-N -1 3 364.320 2.283 20 10 FECDHM CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000780869555 681881215 /nfs/dbraw/zinc/88/12/15/681881215.db2.gz IEYUQQLDJPPFHE-UHFFFAOYSA-N -1 3 364.423 2.347 20 10 FECDHM COC(=O)CN(CC(=O)NCC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000859188757 683053813 /nfs/dbraw/zinc/05/38/13/683053813.db2.gz BOPWMEOWMUFPPE-UHFFFAOYSA-N -1 3 356.850 2.183 20 10 FECDHM COc1cccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000919811968 683300430 /nfs/dbraw/zinc/30/04/30/683300430.db2.gz SNNULJBDCVINGG-LLVKDONJSA-N -1 3 364.423 2.263 20 10 FECDHM COC[C@@]1(C(=O)OC(C)(C)C)CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000877696207 686439961 /nfs/dbraw/zinc/43/99/61/686439961.db2.gz ZXBLMKRNUPOLBW-GOSISDBHSA-N -1 3 355.406 2.090 20 10 FECDHM Cn1nccc1[C@@H](CO)NCc1cc(Cl)cc(Br)c1[O-] ZINC000883144369 687576742 /nfs/dbraw/zinc/57/67/42/687576742.db2.gz MOYMXXSTBMMXLW-LLVKDONJSA-N -1 3 360.639 2.365 20 10 FECDHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055258893 540641344 /nfs/dbraw/zinc/64/13/44/540641344.db2.gz KAPHHFBHVLKLOT-WBMJQRKESA-N -1 3 370.471 2.089 20 10 FECDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000055343139 540647819 /nfs/dbraw/zinc/64/78/19/540647819.db2.gz BICQKXPPRQJTCX-UHFFFAOYSA-N -1 3 369.421 2.117 20 10 FECDHM Cc1cc(NC(=O)CN2CCN(Cc3c([O-])cccc3Cl)CC2)no1 ZINC000123139568 543744913 /nfs/dbraw/zinc/74/49/13/543744913.db2.gz SRAYHSSQDFENLY-UHFFFAOYSA-N -1 3 364.833 2.098 20 10 FECDHM [O-]c1cc2c(cc1CN1CCn3c(nnc3-c3ccccc3)C1)OCO2 ZINC000173554024 546282908 /nfs/dbraw/zinc/28/29/08/546282908.db2.gz FTIVPTKIGYCEOB-UHFFFAOYSA-N -1 3 350.378 2.395 20 10 FECDHM Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c([O-])c1O ZINC000177660827 546661542 /nfs/dbraw/zinc/66/15/42/546661542.db2.gz RJPWYSJBYRIYHW-UHFFFAOYSA-N -1 3 357.366 2.277 20 10 FECDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]2CCCC[C@H]12 ZINC000180548556 547128491 /nfs/dbraw/zinc/12/84/91/547128491.db2.gz YYHAOCXWWCVNTK-NJZAAPMLSA-N -1 3 352.456 2.414 20 10 FECDHM COc1cc(Br)cc(CN2CCOC[C@]23CCOC3)c1[O-] ZINC000195018402 548564732 /nfs/dbraw/zinc/56/47/32/548564732.db2.gz PBZSSQAJGCVHKO-OAHLLOKOSA-N -1 3 358.232 2.155 20 10 FECDHM COc1cc(CNC(=O)CN(C)Cc2ccccc2[O-])cc(OC)c1OC ZINC000264607451 549998297 /nfs/dbraw/zinc/99/82/97/549998297.db2.gz MJMXIIFUJPIMLY-UHFFFAOYSA-N -1 3 374.437 2.166 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1=NN(C)C(=O)CC1 ZINC000266560988 550021553 /nfs/dbraw/zinc/02/15/53/550021553.db2.gz VFYQDMKAMRHZOC-UHFFFAOYSA-N -1 3 368.231 2.111 20 10 FECDHM CC(C)(C)[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000270739339 550302544 /nfs/dbraw/zinc/30/25/44/550302544.db2.gz BZUPCZRRFJAMDT-IAQYHMDHSA-N -1 3 370.471 2.087 20 10 FECDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nc(C)cs1 ZINC000271363499 550369010 /nfs/dbraw/zinc/36/90/10/550369010.db2.gz YNUVCRCTTFCFNE-LBPRGKRZSA-N -1 3 369.468 2.410 20 10 FECDHM Cc1ccc(C(=O)NCc2ccnc(OC3CCOCC3)c2)c([O-])c1O ZINC000272767965 550470085 /nfs/dbraw/zinc/47/00/85/550470085.db2.gz ROAPRRREPQRZPZ-UHFFFAOYSA-N -1 3 358.394 2.289 20 10 FECDHM CNS(=O)(=O)c1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273399748 550497128 /nfs/dbraw/zinc/49/71/28/550497128.db2.gz MURMZDMZFUMEQR-NSHDSACASA-N -1 3 365.411 2.059 20 10 FECDHM COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273535998 550502284 /nfs/dbraw/zinc/50/22/84/550502284.db2.gz XJNXQTVOPWHMRA-BBRMVZONSA-N -1 3 366.458 2.007 20 10 FECDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cccc1C(=O)N1CCOCC1 ZINC000274950633 550567066 /nfs/dbraw/zinc/56/70/66/550567066.db2.gz HYJQNMYIVNGCSF-UHFFFAOYSA-N -1 3 356.378 2.131 20 10 FECDHM C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)c(F)c1[O-] ZINC000276970291 550616965 /nfs/dbraw/zinc/61/69/65/550616965.db2.gz XSDLYSRZZASIQA-LLVKDONJSA-N -1 3 371.405 2.287 20 10 FECDHM COc1c([O-])c(CN2CCN(Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278297462 550770196 /nfs/dbraw/zinc/77/01/96/550770196.db2.gz CKFDYSKPFQDSQN-UHFFFAOYSA-N -1 3 358.398 2.022 20 10 FECDHM COc1c([O-])c(CNC(C)(C)C(=O)NCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278534979 550796581 /nfs/dbraw/zinc/79/65/81/550796581.db2.gz VYDLCORKCWTKAL-UHFFFAOYSA-N -1 3 353.419 2.340 20 10 FECDHM COc1c([O-])c(CN[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000278910997 550835155 /nfs/dbraw/zinc/83/51/55/550835155.db2.gz SKWJHDPCGMAQQD-CQSZACIVSA-N -1 3 357.366 2.204 20 10 FECDHM COC[C@@H](CO)NCc1cc(Br)cc(Br)c1[O-] ZINC000279666463 550914527 /nfs/dbraw/zinc/91/45/27/550914527.db2.gz HAJREKBOBSBYOH-SECBINFHSA-N -1 3 369.053 2.014 20 10 FECDHM O=C(NCCCCn1cc(Br)cn1)c1cccc(O)c1[O-] ZINC000280131249 550963657 /nfs/dbraw/zinc/96/36/57/550963657.db2.gz SPGWXSZZZFXPFP-UHFFFAOYSA-N -1 3 354.204 2.267 20 10 FECDHM C[C@@H](NC[C@@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285780425 551809828 /nfs/dbraw/zinc/80/98/28/551809828.db2.gz UPZIIMCMIQMTKO-QMTHXVAHSA-N -1 3 363.336 2.214 20 10 FECDHM COc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(F)ccc1[O-] ZINC000289633010 552353069 /nfs/dbraw/zinc/35/30/69/552353069.db2.gz XAPFPRYKDJPNFH-UHFFFAOYSA-N -1 3 354.403 2.402 20 10 FECDHM CC(C)[C@@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC12CCC2 ZINC000293712278 552849502 /nfs/dbraw/zinc/84/95/02/552849502.db2.gz RQTLWUJHHBYULH-HNNXBMFYSA-N -1 3 352.456 2.414 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294869306 552940155 /nfs/dbraw/zinc/94/01/55/552940155.db2.gz CZUMMCZEIVNHOS-UHFFFAOYSA-N -1 3 372.805 2.383 20 10 FECDHM COc1c([O-])c(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000365683303 555639890 /nfs/dbraw/zinc/63/98/90/555639890.db2.gz YCUVOBYVDWSFQL-JKDFXYPNSA-N -1 3 352.387 2.077 20 10 FECDHM CCN1C(=O)N=NC1C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000370339305 556844015 /nfs/dbraw/zinc/84/40/15/556844015.db2.gz HGKWPBXOEPXCDW-UHFFFAOYSA-N -1 3 362.405 2.431 20 10 FECDHM COc1c([O-])c(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000375716516 558072240 /nfs/dbraw/zinc/07/22/40/558072240.db2.gz CGFMLNWKVYPISS-AEGPPILISA-N -1 3 352.387 2.077 20 10 FECDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C[C@@]2(CCOC2)O1 ZINC000376020566 558115129 /nfs/dbraw/zinc/11/51/29/558115129.db2.gz GREXCEVUSODMMG-CXAGYDPISA-N -1 3 352.387 2.079 20 10 FECDHM O=C(CNCc1cc([N+](=O)[O-])ccc1[O-])N[C@H]1CCOc2ccccc21 ZINC000376482234 558179113 /nfs/dbraw/zinc/17/91/13/558179113.db2.gz TXXUOUOOIFRZEX-HNNXBMFYSA-N -1 3 357.366 2.030 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737271532 599104768 /nfs/dbraw/zinc/10/47/68/599104768.db2.gz WKNUCHOQZHPLJM-UHFFFAOYSA-N -1 3 365.441 2.241 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737271532 599104770 /nfs/dbraw/zinc/10/47/70/599104770.db2.gz WKNUCHOQZHPLJM-UHFFFAOYSA-N -1 3 365.441 2.241 20 10 FECDHM Cc1cc(C(=O)Nc2nncs2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238353 598611092 /nfs/dbraw/zinc/61/10/92/598611092.db2.gz LNYZSYPOSXFSNC-UHFFFAOYSA-N -1 3 366.410 2.378 20 10 FECDHM CN(C)c1ccc(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821589607 599458867 /nfs/dbraw/zinc/45/88/67/599458867.db2.gz VQNUEXGGIZGFSG-UHFFFAOYSA-N -1 3 369.404 2.071 20 10 FECDHM CN(C)c1ccc(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821589607 599458869 /nfs/dbraw/zinc/45/88/69/599458869.db2.gz VQNUEXGGIZGFSG-UHFFFAOYSA-N -1 3 369.404 2.071 20 10 FECDHM O=C([O-])c1cc2ccccc2c(CN2CCN(c3ncccn3)CC2)c1O ZINC000740098754 600377252 /nfs/dbraw/zinc/37/72/52/600377252.db2.gz UHLGPZUQRXJCOZ-UHFFFAOYSA-N -1 3 364.405 2.356 20 10 FECDHM COc1ccc(N2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)cc1F ZINC000829425271 603967870 /nfs/dbraw/zinc/96/78/70/603967870.db2.gz ZIQNGGSOTWQDEA-CQSZACIVSA-N -1 3 351.422 2.346 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821589335 606520655 /nfs/dbraw/zinc/52/06/55/606520655.db2.gz JTUFEUPJFONHSH-UHFFFAOYSA-N -1 3 356.411 2.033 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821589335 606520657 /nfs/dbraw/zinc/52/06/57/606520657.db2.gz JTUFEUPJFONHSH-UHFFFAOYSA-N -1 3 356.411 2.033 20 10 FECDHM Cc1cc(C(=O)N[C@]2(C)CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258503 607915503 /nfs/dbraw/zinc/91/55/03/607915503.db2.gz NGMFPBAEXSKWAD-LJQANCHMSA-N -1 3 366.425 2.183 20 10 FECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826482051 607916324 /nfs/dbraw/zinc/91/63/24/607916324.db2.gz QKCZILKKCNEERI-LCYFTJDESA-N -1 3 358.402 2.462 20 10 FECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826482051 607916325 /nfs/dbraw/zinc/91/63/25/607916325.db2.gz QKCZILKKCNEERI-LCYFTJDESA-N -1 3 358.402 2.462 20 10 FECDHM CCN(CC)c1ccc(CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825416615 609190779 /nfs/dbraw/zinc/19/07/79/609190779.db2.gz LCCHJYHFBHJRPB-UHFFFAOYSA-N -1 3 353.430 2.313 20 10 FECDHM CCN(CC)c1ccc(CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825416615 609190780 /nfs/dbraw/zinc/19/07/80/609190780.db2.gz LCCHJYHFBHJRPB-UHFFFAOYSA-N -1 3 353.430 2.313 20 10 FECDHM Cc1ccnc(N(Cc2ccccc2O)C[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826309607 609583425 /nfs/dbraw/zinc/58/34/25/609583425.db2.gz VNFPUWRGYOSWMP-HNNXBMFYSA-N -1 3 366.425 2.461 20 10 FECDHM Cc1ccnc(N(Cc2ccccc2O)C[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826309607 609583428 /nfs/dbraw/zinc/58/34/28/609583428.db2.gz VNFPUWRGYOSWMP-HNNXBMFYSA-N -1 3 366.425 2.461 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000106920875 670815668 /nfs/dbraw/zinc/81/56/68/670815668.db2.gz ZKVXJJMFJRTVJG-HNNXBMFYSA-N -1 3 364.398 2.320 20 10 FECDHM COC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(C)c(O)c3[O-])nc2C1 ZINC000817634657 675155892 /nfs/dbraw/zinc/15/58/92/675155892.db2.gz QOSIAGJAUXFTAX-SECBINFHSA-N -1 3 362.407 2.393 20 10 FECDHM Cn1cc(N2CCN(Cc3cccc(Br)c3[O-])CC2)cn1 ZINC000126098356 672020008 /nfs/dbraw/zinc/02/00/08/672020008.db2.gz KJNDDAFFJZSXJP-UHFFFAOYSA-N -1 3 351.248 2.210 20 10 FECDHM COC(=O)CN(Cc1ccc(Br)cc1[O-])C1CCOCC1 ZINC000824894165 675627307 /nfs/dbraw/zinc/62/73/07/675627307.db2.gz BGMAARFUZDLDDV-UHFFFAOYSA-N -1 3 358.232 2.309 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1 ZINC000839808192 680780585 /nfs/dbraw/zinc/78/05/85/680780585.db2.gz UWAFXDOKEYPLLL-JSGCOSHPSA-N -1 3 352.456 2.320 20 10 FECDHM CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000790619438 682688981 /nfs/dbraw/zinc/68/89/81/682688981.db2.gz CVWVXNVXOUUOQR-UHFFFAOYSA-N -1 3 350.415 2.475 20 10 FECDHM Cc1ccc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000855617012 682694620 /nfs/dbraw/zinc/69/46/20/682694620.db2.gz UMKXRLMXMXBWTE-UHFFFAOYSA-N -1 3 362.451 2.353 20 10 FECDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790942560 682714845 /nfs/dbraw/zinc/71/48/45/682714845.db2.gz IVPPHUOZOKUTEB-YPMHNXCESA-N -1 3 350.415 2.473 20 10 FECDHM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000790942559 682714952 /nfs/dbraw/zinc/71/49/52/682714952.db2.gz IVPPHUOZOKUTEB-WCQYABFASA-N -1 3 350.415 2.473 20 10 FECDHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1 ZINC000919818908 683301218 /nfs/dbraw/zinc/30/12/18/683301218.db2.gz WSPQNPBWDRTBBX-GWCFXTLKSA-N -1 3 364.423 2.410 20 10 FECDHM O=C(N1CCCC1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862216120 683551394 /nfs/dbraw/zinc/55/13/94/683551394.db2.gz YMULEWCLTSSZJZ-UHFFFAOYSA-N -1 3 368.275 2.488 20 10 FECDHM O=C(Nc1nncs1)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877521959 686400551 /nfs/dbraw/zinc/40/05/51/686400551.db2.gz HXDQCLKGMRTXMI-UHFFFAOYSA-N -1 3 354.382 2.373 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CSC(=O)N1 ZINC000120991387 543686970 /nfs/dbraw/zinc/68/69/70/543686970.db2.gz IMGRQRTYDWUNFF-JTQLQIEISA-N -1 3 359.245 2.328 20 10 FECDHM CCN(CC(=O)NCCCOC)Cc1cc(Br)ccc1[O-] ZINC000174425350 546296096 /nfs/dbraw/zinc/29/60/96/546296096.db2.gz FSILASJOFLCHSN-UHFFFAOYSA-N -1 3 359.264 2.129 20 10 FECDHM Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c([O-])c1O ZINC000179396730 546945786 /nfs/dbraw/zinc/94/57/86/546945786.db2.gz VKUFFCHHDKEUGR-CQSZACIVSA-N -1 3 362.451 2.271 20 10 FECDHM Cn1ccc(N2CCC[C@H](NCc3c([O-])ccc(Cl)c3F)C2=O)n1 ZINC000191218624 548341505 /nfs/dbraw/zinc/34/15/05/548341505.db2.gz NSSGWAACMDGVTJ-LBPRGKRZSA-N -1 3 352.797 2.203 20 10 FECDHM O=C1[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccc(F)cc1 ZINC000191762632 548349961 /nfs/dbraw/zinc/34/99/61/548349961.db2.gz BQYPVQJSIRZAQE-INIZCTEOSA-N -1 3 359.357 2.330 20 10 FECDHM Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)[n-]c(=O)n1 ZINC000268930300 550132535 /nfs/dbraw/zinc/13/25/35/550132535.db2.gz XTWGYKISFCIFFG-KRWDZBQOSA-N -1 3 370.453 2.378 20 10 FECDHM Cc1ccc(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c([O-])c1O ZINC000271320349 550364627 /nfs/dbraw/zinc/36/46/27/550364627.db2.gz XBAZNTLLGWVIGM-MRXNPFEDSA-N -1 3 369.421 2.108 20 10 FECDHM Cc1ccc(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c([O-])c1O ZINC000272769496 550470087 /nfs/dbraw/zinc/47/00/87/550470087.db2.gz SAPBHAGRHMCOQQ-GFCCVEGCSA-N -1 3 372.385 2.092 20 10 FECDHM C[C@H]1CN(Cc2csc(NC(=O)c3cccc(O)c3[O-])n2)C[C@H](C)O1 ZINC000274908879 550564177 /nfs/dbraw/zinc/56/41/77/550564177.db2.gz SRRYBLJNRCQIJU-QWRGUYRKSA-N -1 3 363.439 2.416 20 10 FECDHM CCNC(=O)c1cccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278837953 550827239 /nfs/dbraw/zinc/82/72/39/550827239.db2.gz JLRRFSOBOIKKCT-UHFFFAOYSA-N -1 3 359.382 2.349 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000280147964 550965186 /nfs/dbraw/zinc/96/51/86/550965186.db2.gz XABBKNOXVHKECX-NSHDSACASA-N -1 3 362.289 2.411 20 10 FECDHM CN(C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1)C(=O)OC(C)(C)C ZINC000280680017 551020633 /nfs/dbraw/zinc/02/06/33/551020633.db2.gz QFEWBKNUGVDGIQ-LBPRGKRZSA-N -1 3 350.415 2.427 20 10 FECDHM COC(=O)CN(Cc1ccc(OC)nn1)Cc1cc(Cl)ccc1[O-] ZINC000283023694 551299346 /nfs/dbraw/zinc/29/93/46/551299346.db2.gz HCJJQPZBYUVBTL-UHFFFAOYSA-N -1 3 351.790 2.019 20 10 FECDHM COc1c([O-])c(CNc2cccc(-c3nnnn3C)c2)ccc1[N+](=O)[O-] ZINC000365130483 555491825 /nfs/dbraw/zinc/49/18/25/555491825.db2.gz CKKNXIYLEHCTNQ-UHFFFAOYSA-N -1 3 356.342 2.112 20 10 FECDHM COc1c([O-])c(CN2CCC[C@@H]2Cn2nc(C)nc2C)ccc1[N+](=O)[O-] ZINC000365807892 555672041 /nfs/dbraw/zinc/67/20/41/555672041.db2.gz XOIAZFZBECDZGL-CQSZACIVSA-N -1 3 361.402 2.182 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000366151505 555766030 /nfs/dbraw/zinc/76/60/30/555766030.db2.gz LHSLTLIJHHUFNV-GFCCVEGCSA-N -1 3 367.365 2.305 20 10 FECDHM Cc1nccc(CN2CCC[C@@H](N[C@@H](C)c3ccc(F)cc3[O-])C2=O)n1 ZINC000366683206 555907991 /nfs/dbraw/zinc/90/79/91/555907991.db2.gz KECZLZVLRXMDNL-YVEFUNNKSA-N -1 3 358.417 2.472 20 10 FECDHM Cc1cc(Br)cc([C@H](C)NCc2nnc3n2CCOC3)c1[O-] ZINC000368992239 556469717 /nfs/dbraw/zinc/46/97/17/556469717.db2.gz XKKTXJLWOKPLQD-JTQLQIEISA-N -1 3 367.247 2.436 20 10 FECDHM C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC12CCC2 ZINC000371434152 557185887 /nfs/dbraw/zinc/18/58/87/557185887.db2.gz ZTVKLZYMGGOSQD-LBPRGKRZSA-N -1 3 352.456 2.416 20 10 FECDHM COc1cc2c(c(OC)c1OC)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000375689547 558067744 /nfs/dbraw/zinc/06/77/44/558067744.db2.gz IHFQADOQPJUARE-UHFFFAOYSA-N -1 3 373.405 2.365 20 10 FECDHM COC[C@@H](C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736968019 598611623 /nfs/dbraw/zinc/61/16/23/598611623.db2.gz CYBKZDDWPVDRKX-LBPRGKRZSA-N -1 3 368.441 2.287 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737106663 598779290 /nfs/dbraw/zinc/77/92/90/598779290.db2.gz WTGHCCKDXOKYDH-LLVKDONJSA-N -1 3 353.382 2.001 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106663 598779292 /nfs/dbraw/zinc/77/92/92/598779292.db2.gz WTGHCCKDXOKYDH-LLVKDONJSA-N -1 3 353.382 2.001 20 10 FECDHM OCC1CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2)CC1 ZINC000823713296 606053860 /nfs/dbraw/zinc/05/38/60/606053860.db2.gz GGDJWOQICLEOFS-UHFFFAOYSA-N -1 3 365.441 2.083 20 10 FECDHM OCC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cc2)CC1 ZINC000823713296 606053864 /nfs/dbraw/zinc/05/38/64/606053864.db2.gz GGDJWOQICLEOFS-UHFFFAOYSA-N -1 3 365.441 2.083 20 10 FECDHM CN(C)c1ccc(CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)cc1 ZINC000821589439 606254547 /nfs/dbraw/zinc/25/45/47/606254547.db2.gz NIYJXNPDTGKSIO-UHFFFAOYSA-N -1 3 351.414 2.066 20 10 FECDHM CN(C)c1ccc(CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)cc1 ZINC000821589439 606254549 /nfs/dbraw/zinc/25/45/49/606254549.db2.gz NIYJXNPDTGKSIO-UHFFFAOYSA-N -1 3 351.414 2.066 20 10 FECDHM CC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825044928 609416449 /nfs/dbraw/zinc/41/64/49/609416449.db2.gz VWAAXESICKILHU-IBGZPJMESA-N -1 3 368.441 2.165 20 10 FECDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000826186934 609481972 /nfs/dbraw/zinc/48/19/72/609481972.db2.gz QXMYPUXVOYGAIO-UHFFFAOYSA-N -1 3 366.425 2.324 20 10 FECDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000826186934 609481975 /nfs/dbraw/zinc/48/19/75/609481975.db2.gz QXMYPUXVOYGAIO-UHFFFAOYSA-N -1 3 366.425 2.324 20 10 FECDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C#N)cc1 ZINC000055218121 670347804 /nfs/dbraw/zinc/34/78/04/670347804.db2.gz JAKFJVGVKNXUCE-LLVKDONJSA-N -1 3 359.407 2.126 20 10 FECDHM Cc1nc(C)c(CCC(=O)NCCCSc2nccs2)c(=O)[n-]1 ZINC000114375715 670890637 /nfs/dbraw/zinc/89/06/37/670890637.db2.gz FYPQXLJQERSBPB-UHFFFAOYSA-N -1 3 352.485 2.074 20 10 FECDHM Cc1ccc(C(=O)Nc2cc(Br)c(=O)n(C)c2)c([O-])c1O ZINC000179542464 672403156 /nfs/dbraw/zinc/40/31/56/672403156.db2.gz KXTIQSVNWFFGDZ-UHFFFAOYSA-N -1 3 353.172 2.120 20 10 FECDHM CS(=O)(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1Cl ZINC000760581413 680693540 /nfs/dbraw/zinc/69/35/40/680693540.db2.gz MEVHXRXMVDDUBW-UHFFFAOYSA-N -1 3 355.799 2.085 20 10 FECDHM CC[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC(F)(F)F ZINC000839846379 680782901 /nfs/dbraw/zinc/78/29/01/680782901.db2.gz UGKPQLPTZGCXFC-SECBINFHSA-N -1 3 368.377 2.472 20 10 FECDHM O=S1(=O)CCCN1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000840954639 680856798 /nfs/dbraw/zinc/85/67/98/680856798.db2.gz LRESHKVMYUMREH-UHFFFAOYSA-N -1 3 362.854 2.185 20 10 FECDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000754790937 680378468 /nfs/dbraw/zinc/37/84/68/680378468.db2.gz DJDFQJRQHYMKHP-UHFFFAOYSA-N -1 3 369.537 2.483 20 10 FECDHM CC(C)(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000769927354 681000979 /nfs/dbraw/zinc/00/09/79/681000979.db2.gz FBOVGBMASZRWBK-GFCCVEGCSA-N -1 3 368.377 2.471 20 10 FECDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCN1CC(F)F ZINC000774904505 681248302 /nfs/dbraw/zinc/24/83/02/681248302.db2.gz SSTHNXLTNNRRPW-GFCCVEGCSA-N -1 3 359.373 2.470 20 10 FECDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1C(=O)N(C)C ZINC000776748567 681433079 /nfs/dbraw/zinc/43/30/79/681433079.db2.gz PVLSETKBFJSIKO-UHFFFAOYSA-N -1 3 364.423 2.212 20 10 FECDHM CCN(Cc1cc(C)cc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000781895478 681986276 /nfs/dbraw/zinc/98/62/76/681986276.db2.gz TXSUSJHJYLZCDN-LBPRGKRZSA-N -1 3 362.289 2.472 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccco3)CC2)c1 ZINC000855291370 682654648 /nfs/dbraw/zinc/65/46/48/682654648.db2.gz HHRVWDSZSRCCFE-UHFFFAOYSA-N -1 3 364.423 2.377 20 10 FECDHM CS(=O)(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC000790524754 682683509 /nfs/dbraw/zinc/68/35/09/682683509.db2.gz NPSNJSSMLDDDBS-UHFFFAOYSA-N -1 3 356.787 2.375 20 10 FECDHM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000790619893 682688915 /nfs/dbraw/zinc/68/89/15/682688915.db2.gz SHFWSQTWGQQUBR-LBPRGKRZSA-N -1 3 350.415 2.475 20 10 FECDHM CSC1CCC(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000927385095 683245534 /nfs/dbraw/zinc/24/55/34/683245534.db2.gz OWARKCLZVUIXHC-UHFFFAOYSA-N -1 3 372.512 2.415 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1(CC(=O)OC)CC1 ZINC000799307376 683442090 /nfs/dbraw/zinc/44/20/90/683442090.db2.gz IGOWICZYXREGGE-UHFFFAOYSA-N -1 3 355.818 2.364 20 10 FECDHM CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCc1c([O-])cccc1F ZINC000928707802 683491597 /nfs/dbraw/zinc/49/15/97/683491597.db2.gz BUODKXOFKZSCGN-CYBMUJFWSA-N -1 3 366.414 2.292 20 10 FECDHM O=C(NCc1c([O-])cccc1F)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000928711551 683492279 /nfs/dbraw/zinc/49/22/79/683492279.db2.gz IPZICVBSLHEQEQ-CQSZACIVSA-N -1 3 352.431 2.239 20 10 FECDHM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1c([O-])cccc1Br ZINC000862299598 683567704 /nfs/dbraw/zinc/56/77/04/683567704.db2.gz CCMJHTVPWIHFAK-ZWNOBZJWSA-N -1 3 358.232 2.307 20 10 FECDHM COC(=O)c1cnc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)s1 ZINC000862728090 683628090 /nfs/dbraw/zinc/62/80/90/683628090.db2.gz MULBBHMSDSESBA-UHFFFAOYSA-N -1 3 362.407 2.361 20 10 FECDHM O=C(NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)c1cccc(O)c1[O-] ZINC000862790748 683633661 /nfs/dbraw/zinc/63/36/61/683633661.db2.gz VEBVKVQAQNAQNQ-AWEZNQCLSA-N -1 3 362.813 2.386 20 10 FECDHM CCN(CC)C(=O)CN1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876569342 686221440 /nfs/dbraw/zinc/22/14/40/686221440.db2.gz XORLATFQUUGPHC-UHFFFAOYSA-N -1 3 355.429 2.047 20 10 FECDHM CCOC(=O)C1(C(F)(F)F)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000884746940 687916295 /nfs/dbraw/zinc/91/62/95/687916295.db2.gz PVGSDEXCTFKMDN-UHFFFAOYSA-N -1 3 361.316 2.446 20 10 FECDHM COC(=O)C1([C@]2(O)CCCN(Cc3ccc(F)c(F)c3[O-])C2)CCC1 ZINC000897702801 690067262 /nfs/dbraw/zinc/06/72/62/690067262.db2.gz UNXDJARQQKUPLT-SFHVURJKSA-N -1 3 355.381 2.341 20 10 FECDHM O=C(NC[C@H](O)c1cccc(Br)c1)c1cccc(O)c1[O-] ZINC000800585281 674063942 /nfs/dbraw/zinc/06/39/42/674063942.db2.gz RIMDLWFWJIFVLQ-ZDUSSCGKSA-N -1 3 352.184 2.324 20 10 FECDHM COc1ccc(N2CCN(C(=O)c3cc(NC(C)=O)ccc3[O-])CC2)cc1 ZINC000055106550 540628407 /nfs/dbraw/zinc/62/84/07/540628407.db2.gz UDVNHZBDOUCJSA-UHFFFAOYSA-N -1 3 369.421 2.322 20 10 FECDHM CC(C)COC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000055319050 540646587 /nfs/dbraw/zinc/64/65/87/540646587.db2.gz XDMLAOWTAYDEEO-UHFFFAOYSA-N -1 3 370.471 2.041 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c1[O-] ZINC000079400564 542516915 /nfs/dbraw/zinc/51/69/15/542516915.db2.gz DNMVJCVJGSSLNZ-HNNXBMFYSA-N -1 3 372.462 2.028 20 10 FECDHM CN1CCN(C(=O)CC2CCN(Cc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000093142553 542912932 /nfs/dbraw/zinc/91/29/32/542912932.db2.gz IRACXFBNXZJIEH-UHFFFAOYSA-N -1 3 365.905 2.422 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCCN(c3cccnn3)CC2)c1[O-] ZINC000093150190 542913600 /nfs/dbraw/zinc/91/36/00/542913600.db2.gz UKOOEISYYKHPJL-UHFFFAOYSA-N -1 3 363.805 2.456 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCN(C3CCOCC3)CC2)c1[O-] ZINC000129746079 544125789 /nfs/dbraw/zinc/12/57/89/544125789.db2.gz XZECZNDSNLPUNS-UHFFFAOYSA-N -1 3 355.822 2.250 20 10 FECDHM Cc1c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cnn1C ZINC000134264315 544300855 /nfs/dbraw/zinc/30/08/55/544300855.db2.gz IKEABNDOEKTZSZ-OAHLLOKOSA-N -1 3 362.861 2.482 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000152988852 544719999 /nfs/dbraw/zinc/71/99/99/544719999.db2.gz DOGWBWHHWOAPOJ-ZVZYQTTQSA-N -1 3 372.446 2.079 20 10 FECDHM Cc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)c([O-])c1O ZINC000804167988 674274210 /nfs/dbraw/zinc/27/42/10/674274210.db2.gz UFCUAWPEYNQUNS-UHFFFAOYSA-N -1 3 368.386 2.048 20 10 FECDHM Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c([O-])c1O ZINC000179396724 546945814 /nfs/dbraw/zinc/94/58/14/546945814.db2.gz VKUFFCHHDKEUGR-AWEZNQCLSA-N -1 3 362.451 2.271 20 10 FECDHM COCCCN(Cc1cc(Cl)cc(C)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179605990 546985840 /nfs/dbraw/zinc/98/58/40/546985840.db2.gz JKMFFGPCLXEFDD-OAHLLOKOSA-N -1 3 361.891 2.380 20 10 FECDHM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c([O-])c1O ZINC000182459509 547496537 /nfs/dbraw/zinc/49/65/37/547496537.db2.gz MEWCJXNUXLFJOP-WMLDXEAASA-N -1 3 355.438 2.442 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000186834541 548203407 /nfs/dbraw/zinc/20/34/07/548203407.db2.gz ZSCYWKBLXKNLJQ-ZDUSSCGKSA-N -1 3 356.426 2.436 20 10 FECDHM Cc1ccc(C(=O)N2CCCN(C(=O)OCC(C)C)CC2)c([O-])c1O ZINC000267545246 550032839 /nfs/dbraw/zinc/03/28/39/550032839.db2.gz BKEQRVIXTAAIKH-UHFFFAOYSA-N -1 3 350.415 2.347 20 10 FECDHM Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)C(C)C)c([O-])c1O ZINC000272748319 550468647 /nfs/dbraw/zinc/46/86/47/550468647.db2.gz NPFHRXKJKVGRPL-AAEUAGOBSA-N -1 3 352.456 2.082 20 10 FECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000273499777 550500684 /nfs/dbraw/zinc/50/06/84/550500684.db2.gz PYMYJFRXECVENS-GWCFXTLKSA-N -1 3 374.359 2.383 20 10 FECDHM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000274801739 550555662 /nfs/dbraw/zinc/55/56/62/550555662.db2.gz AYXKNQZMQBKUMS-GDBMZVCRSA-N -1 3 370.471 2.087 20 10 FECDHM CCOC(=O)c1csc(CCNC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000276154546 550577160 /nfs/dbraw/zinc/57/71/60/550577160.db2.gz DNVGSWHMEYFTIK-UHFFFAOYSA-N -1 3 350.396 2.012 20 10 FECDHM COc1ccccc1CN(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278171152 550757070 /nfs/dbraw/zinc/75/70/70/550757070.db2.gz FVYDSMLOCBYGNV-UHFFFAOYSA-N -1 3 362.382 2.312 20 10 FECDHM CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2 ZINC000278272243 550767419 /nfs/dbraw/zinc/76/74/19/550767419.db2.gz RUHSQYVFPPWIOA-LSDHHAIUSA-N -1 3 366.414 2.061 20 10 FECDHM COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000278766293 550819835 /nfs/dbraw/zinc/81/98/35/550819835.db2.gz UFSQSWCRMVYCLC-IUODEOHRSA-N -1 3 374.275 2.001 20 10 FECDHM COc1c([O-])c(CN[C@@H](Cc2ccccc2)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278884750 550832597 /nfs/dbraw/zinc/83/25/97/550832597.db2.gz OSSGQILRCKLLBA-HNNXBMFYSA-N -1 3 373.409 2.098 20 10 FECDHM COC[C@H]([C@H]1CCCO1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000280020303 550953236 /nfs/dbraw/zinc/95/32/36/550953236.db2.gz HJXUHCCYBSAPKY-UKRRQHHQSA-N -1 3 368.817 2.004 20 10 FECDHM Cc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000281051335 551058198 /nfs/dbraw/zinc/05/81/98/551058198.db2.gz SDMIIECSNGBDIH-BLLLJJGKSA-N -1 3 363.435 2.310 20 10 FECDHM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc2CC1 ZINC000284003863 551466068 /nfs/dbraw/zinc/46/60/68/551466068.db2.gz UWEONVIMWDCQFI-UHFFFAOYSA-N -1 3 374.462 2.449 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1c1cnn(CC(F)F)c1 ZINC000286111792 551849874 /nfs/dbraw/zinc/84/98/74/551849874.db2.gz SAKVIAYENJKTSS-UHFFFAOYSA-N -1 3 370.743 2.476 20 10 FECDHM COC(=O)CN(Cc1cn(C(C)C)nn1)Cc1cc(Cl)ccc1[O-] ZINC000290039798 552418175 /nfs/dbraw/zinc/41/81/75/552418175.db2.gz NYXZXDVFZURDOR-UHFFFAOYSA-N -1 3 352.822 2.393 20 10 FECDHM O=C(CCn1ccnc1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363730870 555173621 /nfs/dbraw/zinc/17/36/21/555173621.db2.gz ROMPNWKOTJKYON-MRXNPFEDSA-N -1 3 362.861 2.413 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000366150504 555765442 /nfs/dbraw/zinc/76/54/42/555765442.db2.gz DRWKFOBDRQAOMC-OAHLLOKOSA-N -1 3 358.438 2.353 20 10 FECDHM O=C1[C@H]2CN(Cc3cccc(F)c3[O-])CCN2C(=O)N1c1ccccc1 ZINC000374698658 557918425 /nfs/dbraw/zinc/91/84/25/557918425.db2.gz REDSSKDHNLVIPM-MRXNPFEDSA-N -1 3 355.369 2.184 20 10 FECDHM COCCn1c(C)c(C)c2cc(C(=O)NCCc3c(C)[n-][nH]c3=O)ccc21 ZINC000522262390 562195448 /nfs/dbraw/zinc/19/54/48/562195448.db2.gz YEGHYOYOABZXBT-MRXNPFEDSA-N -1 3 370.453 2.146 20 10 FECDHM COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737105902 598923573 /nfs/dbraw/zinc/92/35/73/598923573.db2.gz MDQPMQXKOLHIOX-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM COc1ccc(O)c(CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105902 598923574 /nfs/dbraw/zinc/92/35/74/598923574.db2.gz MDQPMQXKOLHIOX-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000826246061 607698993 /nfs/dbraw/zinc/69/89/93/607698993.db2.gz QHJXVVNQEHTICH-UHFFFAOYSA-N -1 3 364.409 2.280 20 10 FECDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000826246061 607698995 /nfs/dbraw/zinc/69/89/95/607698995.db2.gz QHJXVVNQEHTICH-UHFFFAOYSA-N -1 3 364.409 2.280 20 10 FECDHM CC(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823967090 608381641 /nfs/dbraw/zinc/38/16/41/608381641.db2.gz IPZTVZPMDDPVES-LLVKDONJSA-N -1 3 366.425 2.372 20 10 FECDHM CCCN(Cc1ccccc1O)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825323191 609247263 /nfs/dbraw/zinc/24/72/63/609247263.db2.gz QLHPNLGLNAOGPU-KRWDZBQOSA-N -1 3 367.409 2.045 20 10 FECDHM CCCN(Cc1ccccc1O)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825323191 609247265 /nfs/dbraw/zinc/24/72/65/609247265.db2.gz QLHPNLGLNAOGPU-KRWDZBQOSA-N -1 3 367.409 2.045 20 10 FECDHM COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3c(C)noc3C)C2)cc1 ZINC000062575232 670402298 /nfs/dbraw/zinc/40/22/98/670402298.db2.gz GUGPJBJUPXWANG-AWEZNQCLSA-N -1 3 365.455 2.105 20 10 FECDHM CCc1nsc(N2CCN(Cc3cc(F)cc(C(C)=O)c3[O-])CC2)n1 ZINC000079469539 670605888 /nfs/dbraw/zinc/60/58/88/670605888.db2.gz JPGNLLBLGJQUSS-UHFFFAOYSA-N -1 3 364.446 2.470 20 10 FECDHM COC(=O)CN(CCC(=O)NC1CCCC1)Cc1cc(Cl)ccc1[O-] ZINC000109779917 670844624 /nfs/dbraw/zinc/84/46/24/670844624.db2.gz MOMGCOODTCGCOR-UHFFFAOYSA-N -1 3 368.861 2.470 20 10 FECDHM O=S1(=O)CC[C@@H](N(Cc2cc(Br)ccc2[O-])C2CC2)C1 ZINC000156987545 672253134 /nfs/dbraw/zinc/25/31/34/672253134.db2.gz ONARMWKFNSMBMN-CYBMUJFWSA-N -1 3 360.273 2.306 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ncnc3sccc32)CC1 ZINC000192970492 672708264 /nfs/dbraw/zinc/70/82/64/672708264.db2.gz NPHGBDMOSNSGPM-UHFFFAOYSA-N -1 3 356.407 2.065 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CSc3ccccc32)c1 ZINC000735520797 673495790 /nfs/dbraw/zinc/49/57/90/673495790.db2.gz HVWHHRRCUOIFAM-ZDUSSCGKSA-N -1 3 364.448 2.341 20 10 FECDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(Br)cc1[O-] ZINC000824813651 675622903 /nfs/dbraw/zinc/62/29/03/675622903.db2.gz FRXVPQWDAXUOSK-JTQLQIEISA-N -1 3 350.278 2.410 20 10 FECDHM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1ccc(Br)cc1[O-] ZINC000825442066 675653445 /nfs/dbraw/zinc/65/34/45/675653445.db2.gz WIRZFCALANJRLB-OLZOCXBDSA-N -1 3 358.232 2.307 20 10 FECDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000762574356 680754498 /nfs/dbraw/zinc/75/44/98/680754498.db2.gz XXOOYYIRCZBVAD-DGCLKSJQSA-N -1 3 350.415 2.473 20 10 FECDHM O=C1N=C(N2CCOCC2)S/C1=C\c1cccc([O-])c1Br ZINC000840715190 680839455 /nfs/dbraw/zinc/83/94/55/680839455.db2.gz PLCMEYIKNWEKSN-FLIBITNWSA-N -1 3 369.240 2.457 20 10 FECDHM CCC1(CC)[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1OC ZINC000768257268 680942127 /nfs/dbraw/zinc/94/21/27/680942127.db2.gz OUKLAGQLPVFIBU-GJZGRUSLSA-N -1 3 370.471 2.087 20 10 FECDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1SC)C1CCOCC1 ZINC000842588152 680953821 /nfs/dbraw/zinc/95/38/21/680953821.db2.gz LECNZYNJAHYMBZ-AWEZNQCLSA-N -1 3 361.485 2.297 20 10 FECDHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)o1 ZINC000773007788 681121483 /nfs/dbraw/zinc/12/14/83/681121483.db2.gz KGZPRIWRELHVAN-LLVKDONJSA-N -1 3 365.455 2.053 20 10 FECDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000773285524 681134364 /nfs/dbraw/zinc/13/43/64/681134364.db2.gz MCYQEYFBZRMPGO-UHFFFAOYSA-N -1 3 354.403 2.042 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000776150032 681367897 /nfs/dbraw/zinc/36/78/97/681367897.db2.gz KGUMMXDNIFXMLO-UHFFFAOYSA-N -1 3 356.352 2.197 20 10 FECDHM CC(C)(CC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000781806668 681975931 /nfs/dbraw/zinc/97/59/31/681975931.db2.gz MVTVRITUDCMMAX-UHFFFAOYSA-N -1 3 354.350 2.225 20 10 FECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000786960036 682424669 /nfs/dbraw/zinc/42/46/69/682424669.db2.gz UXKFCQHYPBGMBC-JTQLQIEISA-N -1 3 369.464 2.495 20 10 FECDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)OC)cc1 ZINC000790417778 682675080 /nfs/dbraw/zinc/67/50/80/682675080.db2.gz OVMSTAXLOJTLSY-UHFFFAOYSA-N -1 3 365.407 2.307 20 10 FECDHM Cn1nccc1[C@@H]1COCCN1Cc1c([O-])cccc1Br ZINC000862403087 683584798 /nfs/dbraw/zinc/58/47/98/683584798.db2.gz VGQZXJPCDGVLIO-AWEZNQCLSA-N -1 3 352.232 2.462 20 10 FECDHM COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3cc(C)ns3)C2)cc1 ZINC000867428693 684277463 /nfs/dbraw/zinc/27/74/63/684277463.db2.gz NYTBOPVGFXMNJB-CYBMUJFWSA-N -1 3 367.496 2.265 20 10 FECDHM CN(CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)CC(C)(C)C ZINC000911360012 685202585 /nfs/dbraw/zinc/20/25/85/685202585.db2.gz KSXYJJBXCBRYQT-UHFFFAOYSA-N -1 3 356.850 2.437 20 10 FECDHM COC(=O)C1=NO[C@@]2(CCN(Cc3cc(Br)ccc3[O-])C2)C1 ZINC000877715530 686444350 /nfs/dbraw/zinc/44/43/50/686444350.db2.gz XTFSVQNUABRULE-HNNXBMFYSA-N -1 3 369.215 2.049 20 10 FECDHM O=S1(=O)C[C@@H]2CCN(Cc3c([O-])cccc3Br)C[C@@H]2C1 ZINC000877788724 686459917 /nfs/dbraw/zinc/45/99/17/686459917.db2.gz GIUPUWOOXXMSIH-WDEREUQCSA-N -1 3 360.273 2.021 20 10 FECDHM CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000884795370 687935971 /nfs/dbraw/zinc/93/59/71/687935971.db2.gz YWTUGUGQKYZZPL-GFCCVEGCSA-N -1 3 350.415 2.475 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCSC[C@H]2C2CC2)c1 ZINC000888491201 688622865 /nfs/dbraw/zinc/62/28/65/688622865.db2.gz PQVXGLMIPVLLSM-AWEZNQCLSA-N -1 3 370.496 2.121 20 10 FECDHM C[C@H]1CN(CCCNC(=O)NCc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000891728282 689098027 /nfs/dbraw/zinc/09/80/27/689098027.db2.gz MJYBOWDEXKQAHU-STQMWFEESA-N -1 3 355.866 2.344 20 10 FECDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](Cn2ccnn2)C1 ZINC000895229442 689680447 /nfs/dbraw/zinc/68/04/47/689680447.db2.gz VOWIPWOVAXHTPK-SNVBAGLBSA-N -1 3 355.211 2.407 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000056110027 540703860 /nfs/dbraw/zinc/70/38/60/540703860.db2.gz PICLICAPYMICLK-UHFFFAOYSA-N -1 3 356.444 2.202 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)c3ccc[nH]3)CC2)c1[O-] ZINC000079410469 542516788 /nfs/dbraw/zinc/51/67/88/542516788.db2.gz IVOJZKORLDPJEQ-UHFFFAOYSA-N -1 3 359.401 2.410 20 10 FECDHM CCOCCNC(=O)CN(CC)Cc1cc(Br)ccc1[O-] ZINC000084696383 542719384 /nfs/dbraw/zinc/71/93/84/542719384.db2.gz YJCAZXUUXVTLPS-UHFFFAOYSA-N -1 3 359.264 2.129 20 10 FECDHM O=C1NCCN1[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000092188235 542847288 /nfs/dbraw/zinc/84/72/88/542847288.db2.gz IFDFCKWFSOQTKT-CYBMUJFWSA-N -1 3 354.248 2.144 20 10 FECDHM O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1cccc(O)c1[O-] ZINC000804895793 674305575 /nfs/dbraw/zinc/30/55/75/674305575.db2.gz QEWXIBONPJIEQY-UHFFFAOYSA-N -1 3 350.321 2.465 20 10 FECDHM Cc1ccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c([O-])c1O ZINC000182432390 547492214 /nfs/dbraw/zinc/49/22/14/547492214.db2.gz IQNKUSGJKSCERH-UHFFFAOYSA-N -1 3 360.435 2.456 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H](N3CCN(C)CC3)C2)c1[O-] ZINC000182894671 547567738 /nfs/dbraw/zinc/56/77/38/547567738.db2.gz PGMNWRRVHLAALR-SFHVURJKSA-N -1 3 363.477 2.336 20 10 FECDHM O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1cccc(O)c1[O-] ZINC000187027161 548244584 /nfs/dbraw/zinc/24/45/84/548244584.db2.gz LQEVZIGWCYLPSY-INIZCTEOSA-N -1 3 360.385 2.040 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCC1CC1 ZINC000191908742 548352810 /nfs/dbraw/zinc/35/28/10/548352810.db2.gz FRSCAEUTWWLFQN-UHFFFAOYSA-N -1 3 355.232 2.029 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2nc(C3CC3)cs2)c1 ZINC000269087442 550153104 /nfs/dbraw/zinc/15/31/04/550153104.db2.gz YBAWNMQXNZGTTP-UHFFFAOYSA-N -1 3 367.452 2.028 20 10 FECDHM CCCOc1ccc(CN2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)c([O-])c1 ZINC000272524281 550455761 /nfs/dbraw/zinc/45/57/61/550455761.db2.gz LSAGRGFUGPDEOH-XJKSGUPXSA-N -1 3 365.426 2.108 20 10 FECDHM C[C@@H](N[C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276932145 550612680 /nfs/dbraw/zinc/61/26/80/550612680.db2.gz OMPSEYRCTLKNTJ-YGRLFVJLSA-N -1 3 350.369 2.250 20 10 FECDHM COc1c([O-])c(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278209966 550761108 /nfs/dbraw/zinc/76/11/08/550761108.db2.gz KEGLRJPNAXPUFA-TZMCWYRMSA-N -1 3 372.443 2.097 20 10 FECDHM COc1c([O-])c(CNc2cccc(CN3CCOCC3)n2)ccc1[N+](=O)[O-] ZINC000278492186 550792113 /nfs/dbraw/zinc/79/21/13/550792113.db2.gz LOBLTFYPXNLIOT-UHFFFAOYSA-N -1 3 374.397 2.148 20 10 FECDHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279806658 550931182 /nfs/dbraw/zinc/93/11/82/550931182.db2.gz KQFRMDYNYXYTGJ-VXGBXAGGSA-N -1 3 350.415 2.473 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000280710559 551023992 /nfs/dbraw/zinc/02/39/92/551023992.db2.gz PBJSZNUGDVYBRR-CTYIDZIISA-N -1 3 360.435 2.440 20 10 FECDHM Cc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])[C@H](C)S(C)(=O)=O)cc1 ZINC000281051338 551058467 /nfs/dbraw/zinc/05/84/67/551058467.db2.gz SDMIIECSNGBDIH-LRDDRELGSA-N -1 3 363.435 2.310 20 10 FECDHM Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)c([O-])c1O ZINC000282463614 551232921 /nfs/dbraw/zinc/23/29/21/551232921.db2.gz NBGIMQSNOQWKQZ-CQSZACIVSA-N -1 3 355.394 2.442 20 10 FECDHM O=C([C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)N1CCCC1 ZINC000290447517 552480533 /nfs/dbraw/zinc/48/05/33/552480533.db2.gz MFRXTSJTURAKQY-LLVKDONJSA-N -1 3 353.806 2.398 20 10 FECDHM O=S(=O)(C1CC1)N1CCC[C@@H](NCc2cc(Cl)c(F)cc2[O-])C1 ZINC000293837799 552861072 /nfs/dbraw/zinc/86/10/72/552861072.db2.gz GXHTVIRKDDTUBT-LLVKDONJSA-N -1 3 362.854 2.231 20 10 FECDHM CCN(C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)S(C)(=O)=O ZINC000295062626 552955289 /nfs/dbraw/zinc/95/52/89/552955289.db2.gz ADDORGMLNSKTHM-UHFFFAOYSA-N -1 3 364.870 2.431 20 10 FECDHM O=C(CCn1ccnc1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363730868 555173573 /nfs/dbraw/zinc/17/35/73/555173573.db2.gz ROMPNWKOTJKYON-INIZCTEOSA-N -1 3 362.861 2.413 20 10 FECDHM COC(=O)c1cn([C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)nn1 ZINC000364106467 555250810 /nfs/dbraw/zinc/25/08/10/555250810.db2.gz DFDJFRMOHJRFNN-LBPRGKRZSA-N -1 3 350.806 2.261 20 10 FECDHM COc1cc(Br)cc(CN2CC[C@@H](n3cncn3)C2)c1[O-] ZINC000364534960 555331568 /nfs/dbraw/zinc/33/15/68/555331568.db2.gz YYDGEQIGWMNMGT-GFCCVEGCSA-N -1 3 353.220 2.202 20 10 FECDHM O=C(N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1cccc(O)c1[O-] ZINC000366172124 555771212 /nfs/dbraw/zinc/77/12/12/555771212.db2.gz PPEICSQBFRLGTH-ZDUSSCGKSA-N -1 3 368.368 2.240 20 10 FECDHM COc1cc(Br)cc(CN2CC[S@](=O)C[C@H](C)C2)c1[O-] ZINC000369350179 556576389 /nfs/dbraw/zinc/57/63/89/556576389.db2.gz RMRHOINJPWTEOO-SBKAZYGRSA-N -1 3 362.289 2.364 20 10 FECDHM Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(CCc3ccccc3)C2)c([O-])c1O ZINC000371586357 557230750 /nfs/dbraw/zinc/23/07/50/557230750.db2.gz WZJQSFNGSHQCSS-INIZCTEOSA-N -1 3 368.433 2.227 20 10 FECDHM COCc1nc([C@H]2COCCN2Cc2cc(Cl)cc(OC)c2[O-])no1 ZINC000373406268 557687944 /nfs/dbraw/zinc/68/79/44/557687944.db2.gz IKBDNTVIKSLWHP-GFCCVEGCSA-N -1 3 369.805 2.157 20 10 FECDHM COc1ccccc1[C@H](NC(=O)c1cccc(O)c1[O-])c1nccn1C ZINC000375669756 558064743 /nfs/dbraw/zinc/06/47/43/558064743.db2.gz VFXDUGXAANGBIO-INIZCTEOSA-N -1 3 353.378 2.359 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCn3c(nnc3-c3cccnc3)C2)c1[O-] ZINC000377130774 558272385 /nfs/dbraw/zinc/27/23/85/558272385.db2.gz YUOZVBYJKHVQGR-UHFFFAOYSA-N -1 3 367.384 2.403 20 10 FECDHM COc1ccc(OC)c(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737109205 598322462 /nfs/dbraw/zinc/32/24/62/598322462.db2.gz GAGLHONKBPWJOR-UHFFFAOYSA-N -1 3 371.426 2.197 20 10 FECDHM COc1ccc(OC)c(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737109205 598322463 /nfs/dbraw/zinc/32/24/63/598322463.db2.gz GAGLHONKBPWJOR-UHFFFAOYSA-N -1 3 371.426 2.197 20 10 FECDHM CCOCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736623265 598610171 /nfs/dbraw/zinc/61/01/71/598610171.db2.gz CSMCTYOFNDSSNV-UHFFFAOYSA-N -1 3 354.414 2.041 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2CCOc1ccccc1-c1nnn[n-]1 ZINC000821589263 606092786 /nfs/dbraw/zinc/09/27/86/606092786.db2.gz GBORXUZCGFRUMP-UHFFFAOYSA-N -1 3 366.425 2.211 20 10 FECDHM CN(C)c1ccc2c(c1)OCCN2CCOc1ccccc1-c1nn[n-]n1 ZINC000821589263 606092790 /nfs/dbraw/zinc/09/27/90/606092790.db2.gz GBORXUZCGFRUMP-UHFFFAOYSA-N -1 3 366.425 2.211 20 10 FECDHM COc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1O ZINC000821868820 606352705 /nfs/dbraw/zinc/35/27/05/606352705.db2.gz VVFXPPDSMQSIAX-UHFFFAOYSA-N -1 3 358.333 2.042 20 10 FECDHM COc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1O ZINC000821868820 606352707 /nfs/dbraw/zinc/35/27/07/606352707.db2.gz VVFXPPDSMQSIAX-UHFFFAOYSA-N -1 3 358.333 2.042 20 10 FECDHM Cc1ccc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000065620640 670431039 /nfs/dbraw/zinc/43/10/39/670431039.db2.gz RKWHYYWQDVUNCC-UHFFFAOYSA-N -1 3 362.451 2.353 20 10 FECDHM CCc1ccc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000077017082 670558208 /nfs/dbraw/zinc/55/82/08/670558208.db2.gz LPHWMEWHLSYXQX-UHFFFAOYSA-N -1 3 362.451 2.299 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccccc3CC2)c1 ZINC000116454782 670905729 /nfs/dbraw/zinc/90/57/29/670905729.db2.gz ILAIJARRYGWDDH-UHFFFAOYSA-N -1 3 360.435 2.005 20 10 FECDHM N=C1Nc2nc3ccccc3n2[C@@H](c2cc(O)cc(Br)c2[O-])N1 ZINC000124701458 672001026 /nfs/dbraw/zinc/00/10/26/672001026.db2.gz SEUTUJBMEVLJHO-ZDUSSCGKSA-N -1 3 374.198 2.306 20 10 FECDHM Cc1cc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n2ncnc2n1 ZINC000133920989 672116996 /nfs/dbraw/zinc/11/69/96/672116996.db2.gz XRVDACGNSXAXBL-UHFFFAOYSA-N -1 3 358.833 2.114 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000743632497 673766153 /nfs/dbraw/zinc/76/61/53/673766153.db2.gz HAPFNUAHSDKOAK-XJKSGUPXSA-N -1 3 360.435 2.125 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSC3(CCC3)CC2)c1 ZINC000839803098 680780316 /nfs/dbraw/zinc/78/03/16/680780316.db2.gz JUEDEOIBXLZBIT-UHFFFAOYSA-N -1 3 370.496 2.266 20 10 FECDHM COCCCN(Cc1c([O-])cc(C)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000840909222 680851968 /nfs/dbraw/zinc/85/19/68/680851968.db2.gz CQQPNEPUAROEEL-ZDUSSCGKSA-N -1 3 361.891 2.380 20 10 FECDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2COC)cc1 ZINC000840915190 680852737 /nfs/dbraw/zinc/85/27/37/680852737.db2.gz MDQBRUYMGGXVHF-UHFFFAOYSA-N -1 3 367.423 2.365 20 10 FECDHM Cc1cc([O-])c(CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840919169 680853228 /nfs/dbraw/zinc/85/32/28/680853228.db2.gz WNLNRWIDOPEWIG-HNNXBMFYSA-N -1 3 365.905 2.483 20 10 FECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCC(=O)C1 ZINC000843831525 681020993 /nfs/dbraw/zinc/02/09/93/681020993.db2.gz QEVQJRFXTIDWHD-WFASDCNBSA-N -1 3 350.846 2.495 20 10 FECDHM CCOC(=O)c1nn(C)cc1CNCc1cccc(Br)c1[O-] ZINC000775150868 681277981 /nfs/dbraw/zinc/27/79/81/681277981.db2.gz CAGQXQNPJKLLKT-UHFFFAOYSA-N -1 3 368.231 2.355 20 10 FECDHM C[C@H]1C[C@H](NCc2cc(Cl)cc(F)c2[O-])C(=O)N1c1cnn(C)c1 ZINC000776224570 681374503 /nfs/dbraw/zinc/37/45/03/681374503.db2.gz UHEVORMSEJEIQE-XPTSAGLGSA-N -1 3 352.797 2.202 20 10 FECDHM C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1cc(F)cc(F)c1[O-] ZINC000790758008 682699552 /nfs/dbraw/zinc/69/95/52/682699552.db2.gz NEAVSJDUFZKQBV-LLVKDONJSA-N -1 3 371.405 2.287 20 10 FECDHM COCCN(CC(=O)NCc1c([O-])cccc1F)C(=O)OC(C)(C)C ZINC000928704822 683491166 /nfs/dbraw/zinc/49/11/66/683491166.db2.gz DVRHKOXSLXYALQ-UHFFFAOYSA-N -1 3 356.394 2.031 20 10 FECDHM Cc1nc([C@@H]2COCCN2Cc2c([O-])cccc2Br)no1 ZINC000862303189 683568159 /nfs/dbraw/zinc/56/81/59/683568159.db2.gz MHBSNJFWRKSLSV-LBPRGKRZSA-N -1 3 354.204 2.420 20 10 FECDHM [O-]c1c(F)cc(F)cc1CNCc1cnc(N2CCOCC2)c(F)c1 ZINC000883088552 687560879 /nfs/dbraw/zinc/56/08/79/687560879.db2.gz JINWGZPSUDGOHD-UHFFFAOYSA-N -1 3 353.344 2.331 20 10 FECDHM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000886963206 688347989 /nfs/dbraw/zinc/34/79/89/688347989.db2.gz LYKXBKIQXFKQNH-GOEBONIOSA-N -1 3 353.390 2.324 20 10 FECDHM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000893699572 689388400 /nfs/dbraw/zinc/38/84/00/689388400.db2.gz OXMJHZPEUBIANC-JKSUJKDBSA-N -1 3 367.877 2.488 20 10 FECDHM O=C1CC[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])CC[C@H]2N1 ZINC000895258306 689685990 /nfs/dbraw/zinc/68/59/90/689685990.db2.gz CFSDQMWBQIIXJE-NOZJJQNGSA-N -1 3 357.223 2.394 20 10 FECDHM COc1ccc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c(O)c1OC ZINC000895873389 689785641 /nfs/dbraw/zinc/78/56/41/689785641.db2.gz SMUKBAWEAPZCPP-HNNXBMFYSA-N -1 3 362.348 2.052 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@H]1COC(=O)C1 ZINC000128922799 544080644 /nfs/dbraw/zinc/08/06/44/544080644.db2.gz MNRVSIXLNBOXHP-SNVBAGLBSA-N -1 3 356.216 2.456 20 10 FECDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000805066818 674316630 /nfs/dbraw/zinc/31/66/30/674316630.db2.gz APLFXSQLAVWYEB-SNVBAGLBSA-N -1 3 368.484 2.207 20 10 FECDHM COCCN1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805136433 674322207 /nfs/dbraw/zinc/32/22/07/674322207.db2.gz FOPDZZYQUBLZHC-GFCCVEGCSA-N -1 3 362.257 2.219 20 10 FECDHM Cc1occc1C(=O)NC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182313254 547471728 /nfs/dbraw/zinc/47/17/28/547471728.db2.gz NJIUITRSEFHDSN-UHFFFAOYSA-N -1 3 358.394 2.342 20 10 FECDHM COc1cc(Cl)cc(CN2CCC(N3CCCNC3=O)CC2)c1[O-] ZINC000184698957 547867041 /nfs/dbraw/zinc/86/70/41/547867041.db2.gz ZCEOZRPWVPHQLL-UHFFFAOYSA-N -1 3 353.850 2.434 20 10 FECDHM Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c([O-])c1O ZINC000192217256 548361787 /nfs/dbraw/zinc/36/17/87/548361787.db2.gz WNLOUYFUOXTIBZ-OAHLLOKOSA-N -1 3 358.369 2.076 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCC(=O)NC ZINC000266797148 550024127 /nfs/dbraw/zinc/02/41/27/550024127.db2.gz UHUNKULBSKTJRJ-UHFFFAOYSA-N -1 3 372.263 2.212 20 10 FECDHM O=S1(=O)CCN(Cc2cc3c(cc2[O-])OCO3)CC12CCCCC2 ZINC000267867738 550035501 /nfs/dbraw/zinc/03/55/01/550035501.db2.gz KSORMHKFNORLKO-UHFFFAOYSA-N -1 3 353.440 2.054 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCC(=O)N1 ZINC000270406391 550269794 /nfs/dbraw/zinc/26/97/94/550269794.db2.gz QDEXFFUWWAKRSD-LBPRGKRZSA-N -1 3 355.232 2.172 20 10 FECDHM CCOC(=O)CCN(Cc1cccnc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000271240245 550356705 /nfs/dbraw/zinc/35/67/05/550356705.db2.gz DUIHAOZSTMWOLS-UHFFFAOYSA-N -1 3 358.394 2.397 20 10 FECDHM CC(C)C[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCO1 ZINC000271978161 550414195 /nfs/dbraw/zinc/41/41/95/550414195.db2.gz LVWGUDKSIVMMRQ-JSGCOSHPSA-N -1 3 370.471 2.087 20 10 FECDHM Cc1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1[O-] ZINC000272369986 550441571 /nfs/dbraw/zinc/44/15/71/550441571.db2.gz DFMKCCUUNZHJEK-UHFFFAOYSA-N -1 3 360.435 2.188 20 10 FECDHM COCCOCCOCCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000276238460 550577593 /nfs/dbraw/zinc/57/75/93/550577593.db2.gz SUOCDOVWFSDYGF-UHFFFAOYSA-N -1 3 362.810 2.065 20 10 FECDHM COCCOCCOCCN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000276299958 550577915 /nfs/dbraw/zinc/57/79/15/550577915.db2.gz VPFSMCKDGVWERL-UHFFFAOYSA-N -1 3 359.850 2.360 20 10 FECDHM CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000276875467 550605814 /nfs/dbraw/zinc/60/58/14/550605814.db2.gz FIMSEMVFHJDTBI-SNVBAGLBSA-N -1 3 356.394 2.429 20 10 FECDHM CC(C)(C)[S@@](=O)CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277657006 550697489 /nfs/dbraw/zinc/69/74/89/550697489.db2.gz FIOORADJEOMGSZ-DEOSSOPVSA-N -1 3 372.874 2.357 20 10 FECDHM COc1cc(Cl)cc(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1[O-] ZINC000278990664 550843976 /nfs/dbraw/zinc/84/39/76/550843976.db2.gz APXYTYRFDIKXLX-CQSZACIVSA-N -1 3 374.890 2.054 20 10 FECDHM COc1c([O-])c(CN2C[C@@H](C)OC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000280406458 550990461 /nfs/dbraw/zinc/99/04/61/550990461.db2.gz HOFMQLGSHPNTGP-GFCCVEGCSA-N -1 3 352.387 2.079 20 10 FECDHM O=S1(=O)CCC[C@H](CN(Cc2ccccc2[O-])C[C@H]2CCCO2)C1 ZINC000283949849 551455711 /nfs/dbraw/zinc/45/57/11/551455711.db2.gz DKVRQZDUVINOMM-NVXWUHKLSA-N -1 3 353.484 2.198 20 10 FECDHM CON(C)C(=O)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000291311681 552613382 /nfs/dbraw/zinc/61/33/82/552613382.db2.gz RQTVPFFZOGCJMR-UHFFFAOYSA-N -1 3 357.248 2.387 20 10 FECDHM O=S1(=O)CCCN1[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294625852 552921661 /nfs/dbraw/zinc/92/16/61/552921661.db2.gz JLCPHIHVSKUZGA-LBPRGKRZSA-N -1 3 362.854 2.185 20 10 FECDHM O=C(CN1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1)N1CCCC1 ZINC000294978888 552949077 /nfs/dbraw/zinc/94/90/77/552949077.db2.gz SFFNQWLGZFALHQ-UHFFFAOYSA-N -1 3 369.868 2.315 20 10 FECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C(N)=O)CC[C@H]2C(F)(F)F)c1[O-] ZINC000361816096 554936499 /nfs/dbraw/zinc/93/64/99/554936499.db2.gz RRCDRTNHHSXNRF-ZANVPECISA-N -1 3 362.323 2.362 20 10 FECDHM CCOC(=O)c1c[n-]n(C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1=N ZINC000361906859 554937578 /nfs/dbraw/zinc/93/75/78/554937578.db2.gz JIYVPSPCLLBJQO-UHFFFAOYSA-N -1 3 362.405 2.154 20 10 FECDHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C(F)F)C1 ZINC000366474137 555853905 /nfs/dbraw/zinc/85/39/05/555853905.db2.gz OBFOSLCMJCVYJH-NSHDSACASA-N -1 3 372.368 2.424 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(Cc3ccccc3)C2)c1 ZINC000368015093 556195181 /nfs/dbraw/zinc/19/51/81/556195181.db2.gz FPJNZDASBSETTE-UHFFFAOYSA-N -1 3 360.435 2.078 20 10 FECDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368619619 556365319 /nfs/dbraw/zinc/36/53/19/556365319.db2.gz QPYNJMGCDNCRRS-CHWSQXEVSA-N -1 3 374.268 2.361 20 10 FECDHM O=[N+]([O-])c1cnc(NCCCSc2nccs2)c(-c2nnn[n-]2)c1 ZINC000738374952 598914701 /nfs/dbraw/zinc/91/47/01/598914701.db2.gz UVFOWTYHOUBIPS-UHFFFAOYSA-N -1 3 364.416 2.221 20 10 FECDHM O=[N+]([O-])c1cnc(NCCCSc2nccs2)c(-c2nn[n-]n2)c1 ZINC000738374952 598914702 /nfs/dbraw/zinc/91/47/02/598914702.db2.gz UVFOWTYHOUBIPS-UHFFFAOYSA-N -1 3 364.416 2.221 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737270775 599017005 /nfs/dbraw/zinc/01/70/05/599017005.db2.gz PMXSJJRGGALIPG-UHFFFAOYSA-N -1 3 350.426 2.100 20 10 FECDHM Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737270775 599017007 /nfs/dbraw/zinc/01/70/07/599017007.db2.gz PMXSJJRGGALIPG-UHFFFAOYSA-N -1 3 350.426 2.100 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737105105 598772656 /nfs/dbraw/zinc/77/26/56/598772656.db2.gz DIYPHGVNZVQGNS-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737105105 598772659 /nfs/dbraw/zinc/77/26/59/598772659.db2.gz DIYPHGVNZVQGNS-LLVKDONJSA-N -1 3 368.397 2.141 20 10 FECDHM C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374836 599471676 /nfs/dbraw/zinc/47/16/76/599471676.db2.gz RCGMMLQLCAKDEN-CYBMUJFWSA-N -1 3 365.441 2.493 20 10 FECDHM C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374836 599471679 /nfs/dbraw/zinc/47/16/79/599471679.db2.gz RCGMMLQLCAKDEN-CYBMUJFWSA-N -1 3 365.441 2.493 20 10 FECDHM COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000833733698 605127206 /nfs/dbraw/zinc/12/72/06/605127206.db2.gz MQKRWBJSARLDBM-VIFPVBQESA-N -1 3 350.396 2.450 20 10 FECDHM O=C([O-])NC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000834215747 605554169 /nfs/dbraw/zinc/55/41/69/605554169.db2.gz NWASLKIXZQNUKV-HNNXBMFYSA-N -1 3 351.422 2.142 20 10 FECDHM CCN(CC)c1ccc(CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821197091 606247664 /nfs/dbraw/zinc/24/76/64/606247664.db2.gz FZWXSTJBYZTKDB-UHFFFAOYSA-N -1 3 353.430 2.313 20 10 FECDHM CCN(CC)c1ccc(CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821197091 606247666 /nfs/dbraw/zinc/24/76/66/606247666.db2.gz FZWXSTJBYZTKDB-UHFFFAOYSA-N -1 3 353.430 2.313 20 10 FECDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000822215100 607227180 /nfs/dbraw/zinc/22/71/80/607227180.db2.gz LUBFTHINYULQCK-UHFFFAOYSA-N -1 3 351.414 2.019 20 10 FECDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000822215100 607227181 /nfs/dbraw/zinc/22/71/81/607227181.db2.gz LUBFTHINYULQCK-UHFFFAOYSA-N -1 3 351.414 2.019 20 10 FECDHM COc1ccc(N2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)cc1F ZINC000826209977 608294993 /nfs/dbraw/zinc/29/49/93/608294993.db2.gz YSTLTHVGVFSMGU-UHFFFAOYSA-N -1 3 369.404 2.044 20 10 FECDHM COc1ccc(N2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)cc1F ZINC000826209977 608294995 /nfs/dbraw/zinc/29/49/95/608294995.db2.gz YSTLTHVGVFSMGU-UHFFFAOYSA-N -1 3 369.404 2.044 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(F)cccc3C2)c1 ZINC000129735190 672066317 /nfs/dbraw/zinc/06/63/17/672066317.db2.gz NXSXMNGRSBXMOH-UHFFFAOYSA-N -1 3 364.398 2.101 20 10 FECDHM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2c([O-])cccc2Cl)C1 ZINC000130184300 672072092 /nfs/dbraw/zinc/07/20/92/672072092.db2.gz YMEOOTNUEYWXPI-ZDUSSCGKSA-N -1 3 368.861 2.279 20 10 FECDHM Cc1cc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n2ncnc2n1 ZINC000133935706 672117414 /nfs/dbraw/zinc/11/74/14/672117414.db2.gz CEHQMUQFPXTYCH-UHFFFAOYSA-N -1 3 358.833 2.114 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000743654056 673767466 /nfs/dbraw/zinc/76/74/66/673767466.db2.gz CHUSFFVGEFXPEO-HIFRSBDPSA-N -1 3 352.456 2.462 20 10 FECDHM Cc1ccc(CC[C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])o1 ZINC000743717823 673770348 /nfs/dbraw/zinc/77/03/48/673770348.db2.gz IDBXQQVDRBTLOP-LLVKDONJSA-N -1 3 366.439 2.416 20 10 FECDHM CN(CC(=O)NCc1ccco1)Cc1ccc(Br)cc1[O-] ZINC000824528788 675608757 /nfs/dbraw/zinc/60/87/57/675608757.db2.gz CIQSHCILNXSINA-UHFFFAOYSA-N -1 3 353.216 2.496 20 10 FECDHM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccc(Br)cc1[O-] ZINC000825442065 675653453 /nfs/dbraw/zinc/65/34/53/675653453.db2.gz WIRZFCALANJRLB-CHWSQXEVSA-N -1 3 358.232 2.307 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC[C@H]2C2CC2)c1 ZINC000839808197 680780571 /nfs/dbraw/zinc/78/05/71/680780571.db2.gz UWAFXDOKEYPLLL-OCCSQVGLSA-N -1 3 352.456 2.320 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H]2Cc2ccccc2)c1 ZINC000748420740 679961524 /nfs/dbraw/zinc/96/15/24/679961524.db2.gz LLSGFTVNRUBAIL-OAHLLOKOSA-N -1 3 360.435 2.221 20 10 FECDHM CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756758393 680496457 /nfs/dbraw/zinc/49/64/57/680496457.db2.gz DURLSOCROJKVEU-GWCFXTLKSA-N -1 3 357.432 2.093 20 10 FECDHM COC(=O)CN(Cc1cc(C(C)=O)no1)Cc1cc(Cl)ccc1[O-] ZINC000846824170 681295322 /nfs/dbraw/zinc/29/53/22/681295322.db2.gz JDAUDRCRMCNFGY-UHFFFAOYSA-N -1 3 352.774 2.411 20 10 FECDHM Cn1ccnc1CN1CCC[C@@H](NCc2c([O-])ccc(Cl)c2F)C1=O ZINC000790986183 682718184 /nfs/dbraw/zinc/71/81/84/682718184.db2.gz IMMATBBSALLQTR-CYBMUJFWSA-N -1 3 366.824 2.199 20 10 FECDHM CC(C)N(CCS(C)(=O)=O)Cc1c([O-])cccc1Br ZINC000862249521 683559067 /nfs/dbraw/zinc/55/90/67/683559067.db2.gz SCPVQVZJADQHRF-UHFFFAOYSA-N -1 3 350.278 2.410 20 10 FECDHM COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)NCc2c([O-])cccc2F)C1 ZINC000922052702 683647172 /nfs/dbraw/zinc/64/71/72/683647172.db2.gz WUVYRSRUPZAILC-NEPJUHHUSA-N -1 3 353.394 2.197 20 10 FECDHM O=C([O-])c1cnn2c1[nH]c(CN1CCC3(CCSCC3)CC1)cc2=O ZINC000872160495 684924019 /nfs/dbraw/zinc/92/40/19/684924019.db2.gz HCZHSSQJPJMESK-UHFFFAOYSA-N -1 3 362.455 2.242 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H](OC)C1CCOCC1 ZINC000876716050 686252228 /nfs/dbraw/zinc/25/22/28/686252228.db2.gz VWYIJNVBQJDISC-QGZVFWFLSA-N -1 3 371.861 2.462 20 10 FECDHM O=S1(=O)C[C@H]2CCN(Cc3c([O-])cccc3Br)C[C@H]2C1 ZINC000877788720 686460053 /nfs/dbraw/zinc/46/00/53/686460053.db2.gz GIUPUWOOXXMSIH-MNOVXSKESA-N -1 3 360.273 2.021 20 10 FECDHM COC(=O)[C@H](Cc1cncs1)NCc1cc(Br)ccc1[O-] ZINC000877800229 686466447 /nfs/dbraw/zinc/46/64/47/686466447.db2.gz FAQUODMOZIYSQP-LBPRGKRZSA-N -1 3 371.256 2.485 20 10 FECDHM C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1c([O-])cccc1F ZINC000886598784 688281570 /nfs/dbraw/zinc/28/15/70/688281570.db2.gz JZSZHENDEXEUCH-LBPRGKRZSA-N -1 3 353.415 2.148 20 10 FECDHM CC(=O)c1cn(C2CN(Cc3c([O-])cccc3Br)C2)nn1 ZINC000897940806 690104543 /nfs/dbraw/zinc/10/45/43/690104543.db2.gz BVSDNHKPYASKMB-UHFFFAOYSA-N -1 3 351.204 2.006 20 10 FECDHM CC(=O)c1cn(C2CN(Cc3ccc(Br)cc3[O-])C2)nn1 ZINC000897941392 690105247 /nfs/dbraw/zinc/10/52/47/690105247.db2.gz ZNVIGOBGAQHHGT-UHFFFAOYSA-N -1 3 351.204 2.006 20 10 FECDHM O=C(NC[C@@H](O)c1cccc(Br)c1)c1cccc(O)c1[O-] ZINC000802313574 674177131 /nfs/dbraw/zinc/17/71/31/674177131.db2.gz RIMDLWFWJIFVLQ-CYBMUJFWSA-N -1 3 352.184 2.324 20 10 FECDHM CCN(Cc1cccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000120647915 543683202 /nfs/dbraw/zinc/68/32/02/543683202.db2.gz DICYAKFGVANVBJ-UHFFFAOYSA-N -1 3 354.453 2.488 20 10 FECDHM CN(Cc1cc(Cl)cn1C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000137697502 544392183 /nfs/dbraw/zinc/39/21/83/544392183.db2.gz FSVYGDBUFAUSNB-UHFFFAOYSA-N -1 3 371.846 2.028 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3cccc(O)c3)CC2)c1[O-] ZINC000175701584 546336608 /nfs/dbraw/zinc/33/66/08/546336608.db2.gz MWXJRUWGRUVLMJ-UHFFFAOYSA-N -1 3 372.396 2.398 20 10 FECDHM Cn1ccc(N2CCC[C@@H](NCc3c([O-])ccc(Cl)c3F)C2=O)n1 ZINC000191218644 548341276 /nfs/dbraw/zinc/34/12/76/548341276.db2.gz NSSGWAACMDGVTJ-GFCCVEGCSA-N -1 3 352.797 2.203 20 10 FECDHM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1(C)C ZINC000271395210 550372120 /nfs/dbraw/zinc/37/21/20/550372120.db2.gz MSCZFRXZHPGFAT-GJZGRUSLSA-N -1 3 370.471 2.039 20 10 FECDHM O=C(CNC(=O)c1cccc([O-])c1)NCc1c(O)ccc2c1CCCC2 ZINC000275102794 550570651 /nfs/dbraw/zinc/57/06/51/550570651.db2.gz COKWLSJBBIXBAI-UHFFFAOYSA-N -1 3 354.406 2.023 20 10 FECDHM CCO[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)[C@H]1OC ZINC000277976433 550734723 /nfs/dbraw/zinc/73/47/23/550734723.db2.gz SYESQTABKDDMQX-XNRPHZJLSA-N -1 3 368.817 2.002 20 10 FECDHM COc1c([O-])c(CNc2cccc(CS(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000278947402 550839051 /nfs/dbraw/zinc/83/90/51/550839051.db2.gz YTAZJERIGPUHIW-UHFFFAOYSA-N -1 3 366.395 2.466 20 10 FECDHM Cc1ccc(C(=O)NCCCn2cc(Br)cn2)c([O-])c1O ZINC000291699963 552652411 /nfs/dbraw/zinc/65/24/11/552652411.db2.gz JZYRKTZAXOUEKK-UHFFFAOYSA-N -1 3 354.204 2.185 20 10 FECDHM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292788517 552758604 /nfs/dbraw/zinc/75/86/04/552758604.db2.gz MFBIIXPMTWCJOQ-NSHDSACASA-N -1 3 353.271 2.165 20 10 FECDHM Cn1ccnc1[C@@]([O-])(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])C(F)(F)F ZINC000293667199 552845519 /nfs/dbraw/zinc/84/55/19/552845519.db2.gz QBQJNDOAFAMJHS-ZDUSSCGKSA-N -1 3 367.730 2.458 20 10 FECDHM CC(C)[C@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC12CCC2 ZINC000293712280 552849526 /nfs/dbraw/zinc/84/95/26/552849526.db2.gz RQTLWUJHHBYULH-OAHLLOKOSA-N -1 3 352.456 2.414 20 10 FECDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000295307555 552985056 /nfs/dbraw/zinc/98/50/56/552985056.db2.gz MWZKOYPXGOSATR-ZDUSSCGKSA-N -1 3 350.415 2.473 20 10 FECDHM COC1CCN(c2ccc(CN3CCC[C@H](c4n[n-]c(=O)o4)C3)cc2)CC1 ZINC000295407716 553001574 /nfs/dbraw/zinc/00/15/74/553001574.db2.gz SJTKYKBCNMDUDT-INIZCTEOSA-N -1 3 372.469 2.358 20 10 FECDHM CC(=O)c1cc(F)cc(CN2C[C@H](C(N)=O)CC[C@H]2C(F)(F)F)c1[O-] ZINC000361816093 554936480 /nfs/dbraw/zinc/93/64/80/554936480.db2.gz RRCDRTNHHSXNRF-RNCFNFMXSA-N -1 3 362.323 2.362 20 10 FECDHM COc1c([O-])c(CNCc2cccnc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000364620010 555354297 /nfs/dbraw/zinc/35/42/97/555354297.db2.gz SQTIUIYWKRIEBT-UHFFFAOYSA-N -1 3 355.354 2.180 20 10 FECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CCO[C@H]1C1CC1 ZINC000365315721 555539819 /nfs/dbraw/zinc/53/98/19/555539819.db2.gz DWLLMVXNHRTQRQ-BBRMVZONSA-N -1 3 350.802 2.377 20 10 FECDHM C[C@@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000365758774 555660974 /nfs/dbraw/zinc/66/09/74/555660974.db2.gz PKWIPUBFEFRXFK-HNAYVOBHSA-N -1 3 370.449 2.459 20 10 FECDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000366151511 555766160 /nfs/dbraw/zinc/76/61/60/555766160.db2.gz LHSLTLIJHHUFNV-LBPRGKRZSA-N -1 3 367.365 2.305 20 10 FECDHM CCn1nc2c(cc1=O)CN(Cc1cc(Br)ccc1[O-])CC2 ZINC000371326602 557147580 /nfs/dbraw/zinc/14/75/80/557147580.db2.gz JKQURNFHSWLPTR-UHFFFAOYSA-N -1 3 364.243 2.290 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H]1CCCOCC1 ZINC000373263777 557661471 /nfs/dbraw/zinc/66/14/71/557661471.db2.gz LGYSAPINSBWMBB-GFCCVEGCSA-N -1 3 355.818 2.364 20 10 FECDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCCc3c2cnn3CCO)c1[O-] ZINC000377169252 558280774 /nfs/dbraw/zinc/28/07/74/558280774.db2.gz VRUBVWFQYYYCAC-ZDUSSCGKSA-N -1 3 366.805 2.310 20 10 FECDHM CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2cc(Cl)ccc2[O-])cn1 ZINC000377840678 558432790 /nfs/dbraw/zinc/43/27/90/558432790.db2.gz UNXZSXGIUXDXSX-OAHLLOKOSA-N -1 3 369.874 2.234 20 10 FECDHM Fc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1N1CCOCC1 ZINC000737643289 598439931 /nfs/dbraw/zinc/43/99/31/598439931.db2.gz FBQGRZJZGTYWDF-DAFODLJHSA-N -1 3 352.373 2.408 20 10 FECDHM Fc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1N1CCOCC1 ZINC000737643289 598439933 /nfs/dbraw/zinc/43/99/33/598439933.db2.gz FBQGRZJZGTYWDF-DAFODLJHSA-N -1 3 352.373 2.408 20 10 FECDHM CC(=O)C(=O)COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000808527555 674461537 /nfs/dbraw/zinc/46/15/37/674461537.db2.gz JOKMAEJRJMRBCP-UHFFFAOYSA-N -1 3 351.156 2.154 20 10 FECDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823253255 606554610 /nfs/dbraw/zinc/55/46/10/606554610.db2.gz FKITUHMXQYMSMD-UHFFFAOYSA-N -1 3 354.439 2.458 20 10 FECDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823253255 606554611 /nfs/dbraw/zinc/55/46/11/606554611.db2.gz FKITUHMXQYMSMD-UHFFFAOYSA-N -1 3 354.439 2.458 20 10 FECDHM CCc1nnc(N(C)Cc2ccc(N(C)C)cc2)c(-c2nnn[n-]2)c1CC ZINC000821521026 606916775 /nfs/dbraw/zinc/91/67/75/606916775.db2.gz DAUHKLBGXKHDAJ-UHFFFAOYSA-N -1 3 366.473 2.484 20 10 FECDHM CCc1nnc(N(C)Cc2ccc(N(C)C)cc2)c(-c2nn[n-]n2)c1CC ZINC000821521026 606916776 /nfs/dbraw/zinc/91/67/76/606916776.db2.gz DAUHKLBGXKHDAJ-UHFFFAOYSA-N -1 3 366.473 2.484 20 10 FECDHM COc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)c1O ZINC000826216181 608377209 /nfs/dbraw/zinc/37/72/09/608377209.db2.gz NIJAHEDSHLPHGV-UHFFFAOYSA-N -1 3 362.393 2.472 20 10 FECDHM COc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cccc32)c1O ZINC000826216181 608377211 /nfs/dbraw/zinc/37/72/11/608377211.db2.gz NIJAHEDSHLPHGV-UHFFFAOYSA-N -1 3 362.393 2.472 20 10 FECDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000023398025 670048469 /nfs/dbraw/zinc/04/84/69/670048469.db2.gz RBUCIOUYIHVAGC-UHFFFAOYSA-N -1 3 354.453 2.476 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(F)ccc3C2)c1 ZINC000092101164 670734516 /nfs/dbraw/zinc/73/45/16/670734516.db2.gz DCCZNOUXHDESDT-UHFFFAOYSA-N -1 3 364.398 2.101 20 10 FECDHM O=C(CN1CCCC1)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093046889 670748492 /nfs/dbraw/zinc/74/84/92/670748492.db2.gz ZTSMWQJGWRNSJJ-UHFFFAOYSA-N -1 3 372.296 2.439 20 10 FECDHM O=C1OCCN1C[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000824451250 675603700 /nfs/dbraw/zinc/60/37/00/675603700.db2.gz QEHGIWKBTPPBEA-JTQLQIEISA-N -1 3 355.778 2.228 20 10 FECDHM O=C1CN(Cc2ccc(Br)cc2[O-])CCN1CC(F)(F)F ZINC000825892131 675673191 /nfs/dbraw/zinc/67/31/91/675673191.db2.gz AGPNLCCYFKHVSB-UHFFFAOYSA-N -1 3 367.165 2.361 20 10 FECDHM COc1ccccc1[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000765421225 680841749 /nfs/dbraw/zinc/84/17/49/680841749.db2.gz SNLZWXVERMHLRB-LLVKDONJSA-N -1 3 364.423 2.263 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750838138 680135659 /nfs/dbraw/zinc/13/56/59/680135659.db2.gz MXGGCYZTALHGRC-OAHLLOKOSA-N -1 3 353.390 2.276 20 10 FECDHM Cc1cnc([C@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000756863025 680502405 /nfs/dbraw/zinc/50/24/05/680502405.db2.gz HJHMNZYFSZCFMO-SECBINFHSA-N -1 3 369.468 2.062 20 10 FECDHM Cc1ccc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000760125710 680677375 /nfs/dbraw/zinc/67/73/75/680677375.db2.gz BECGRZUYLSTCGJ-UHFFFAOYSA-N -1 3 363.439 2.132 20 10 FECDHM Cc1ccc(CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C2CC2)o1 ZINC000769709212 680992391 /nfs/dbraw/zinc/99/23/91/680992391.db2.gz MXOAWMMFPYYVFO-UHFFFAOYSA-N -1 3 364.423 2.470 20 10 FECDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000773303110 681135168 /nfs/dbraw/zinc/13/51/68/681135168.db2.gz ROASKORSUWRQTM-UHFFFAOYSA-N -1 3 364.467 2.275 20 10 FECDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1cc(Cl)ccc1O ZINC000845999743 681171760 /nfs/dbraw/zinc/17/17/60/681171760.db2.gz ZPIKUDACGNPQSV-UHFFFAOYSA-N -1 3 350.227 2.219 20 10 FECDHM COc1c([O-])c(CNCc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000775002536 681266304 /nfs/dbraw/zinc/26/63/04/681266304.db2.gz HODIYYMJBOBLQL-UHFFFAOYSA-N -1 3 360.292 2.358 20 10 FECDHM COC(=O)CN(CCCc1cncn1C)Cc1cc(Cl)ccc1[O-] ZINC000846824178 681295378 /nfs/dbraw/zinc/29/53/78/681295378.db2.gz JPYAUNMKWHLMGN-UHFFFAOYSA-N -1 3 351.834 2.387 20 10 FECDHM CCN(CC)CC(=O)N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775676656 681323701 /nfs/dbraw/zinc/32/37/01/681323701.db2.gz WYPLWDYUOQBFDE-UHFFFAOYSA-N -1 3 357.857 2.171 20 10 FECDHM COc1ccc(O)c([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000776254086 681376653 /nfs/dbraw/zinc/37/66/53/681376653.db2.gz OIUPYBGSTJDPSY-SSDOTTSWSA-N -1 3 359.308 2.098 20 10 FECDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1OC ZINC000799124511 683425118 /nfs/dbraw/zinc/42/51/18/683425118.db2.gz SLDYAWCEHSBRDO-UHFFFAOYSA-N -1 3 355.343 2.127 20 10 FECDHM COCCOc1ccc(F)cc1S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452732 683473059 /nfs/dbraw/zinc/47/30/59/683473059.db2.gz XRHUTLWXFDMJAH-UHFFFAOYSA-N -1 3 373.377 2.174 20 10 FECDHM CCOC(=O)C1(O)CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862248027 683558400 /nfs/dbraw/zinc/55/84/00/683558400.db2.gz PQYIVXBSOKDODM-UHFFFAOYSA-N -1 3 358.232 2.045 20 10 FECDHM CC(C)(C)OC(=O)NC1(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000896886737 689944128 /nfs/dbraw/zinc/94/41/28/689944128.db2.gz AUJQBNGSZFZBOZ-UHFFFAOYSA-N -1 3 353.394 2.388 20 10 FECDHM [O-]c1ccc(F)cc1CN1CCn2ncc(I)c2C1 ZINC000897289085 690000793 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CCc1nc(CN2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cs1 ZINC000177676005 546665080 /nfs/dbraw/zinc/66/50/80/546665080.db2.gz SNOZLZPUGOFWJX-UHFFFAOYSA-N -1 3 361.467 2.383 20 10 FECDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC000180548521 547128536 /nfs/dbraw/zinc/12/85/36/547128536.db2.gz YYHAOCXWWCVNTK-LNSITVRQSA-N -1 3 352.456 2.414 20 10 FECDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC000180548508 547128658 /nfs/dbraw/zinc/12/86/58/547128658.db2.gz YYHAOCXWWCVNTK-KYOSRNDESA-N -1 3 352.456 2.414 20 10 FECDHM O=C(c1ccc(F)cc1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192975393 548376546 /nfs/dbraw/zinc/37/65/46/548376546.db2.gz BCAWAWPLNNFWCX-UHFFFAOYSA-N -1 3 358.369 2.225 20 10 FECDHM Cc1noc(CCCN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000277636687 550695068 /nfs/dbraw/zinc/69/50/68/550695068.db2.gz DEWUEEGGOGDTPG-UHFFFAOYSA-N -1 3 364.789 2.134 20 10 FECDHM COc1c([O-])c(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143726 550754107 /nfs/dbraw/zinc/75/41/07/550754107.db2.gz BJEYLRAKHNKVCF-ZWNOBZJWSA-N -1 3 350.293 2.197 20 10 FECDHM COc1c([O-])c(CNCC(=O)N2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278941409 550838308 /nfs/dbraw/zinc/83/83/08/550838308.db2.gz XUHJZYJZGKFBKZ-UHFFFAOYSA-N -1 3 371.393 2.378 20 10 FECDHM Cc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])[C@@H](C)S(C)(=O)=O)cc1 ZINC000281051344 551058434 /nfs/dbraw/zinc/05/84/34/551058434.db2.gz SDMIIECSNGBDIH-WBMJQRKESA-N -1 3 363.435 2.310 20 10 FECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1cnn(CCF)c1 ZINC000291801623 552663077 /nfs/dbraw/zinc/66/30/77/552663077.db2.gz ZIIXECHBVZUFEF-UHFFFAOYSA-N -1 3 369.780 2.027 20 10 FECDHM CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC000292614332 552743228 /nfs/dbraw/zinc/74/32/28/552743228.db2.gz RLOVAZPQDDOTLQ-OLZOCXBDSA-N -1 3 362.426 2.427 20 10 FECDHM COc1cc(Cl)cc(CN(C)Cc2ccccc2S(N)(=O)=O)c1[O-] ZINC000293824054 552859794 /nfs/dbraw/zinc/85/97/94/552859794.db2.gz GBLYUXOWHCOKAX-UHFFFAOYSA-N -1 3 370.858 2.334 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1ncn(C)n1 ZINC000296712398 553201515 /nfs/dbraw/zinc/20/15/15/553201515.db2.gz JTZDFUQLTGJHAY-UHFFFAOYSA-N -1 3 354.208 2.337 20 10 FECDHM CNC(=O)CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000364172417 555263090 /nfs/dbraw/zinc/26/30/90/555263090.db2.gz QKRJFKIRHLWZEP-OAHLLOKOSA-N -1 3 367.877 2.043 20 10 FECDHM COc1c([O-])c(CNCc2ccnc(-n3ccnc3)c2)ccc1[N+](=O)[O-] ZINC000365819676 555674836 /nfs/dbraw/zinc/67/48/36/555674836.db2.gz KBIYUXNHYGZJGT-UHFFFAOYSA-N -1 3 355.354 2.180 20 10 FECDHM Cc1cc([C@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])no1 ZINC000367440754 556049436 /nfs/dbraw/zinc/04/94/36/556049436.db2.gz KLHZGDAANNCMBS-CQSZACIVSA-N -1 3 365.411 2.037 20 10 FECDHM O=C(NC1CCN(C(=O)c2cccc(O)c2[O-])CC1)c1ccccc1F ZINC000369567218 556633170 /nfs/dbraw/zinc/63/31/70/556633170.db2.gz SAWUGZUAGOYEAG-UHFFFAOYSA-N -1 3 358.369 2.272 20 10 FECDHM COCCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821688763 607402547 /nfs/dbraw/zinc/40/25/47/607402547.db2.gz ZCRCVRIKHCNFAC-FPYGCLRLSA-N -1 3 364.409 2.263 20 10 FECDHM COCCN(C(=O)C=Cc1cncc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821688763 607402548 /nfs/dbraw/zinc/40/25/48/607402548.db2.gz ZCRCVRIKHCNFAC-FPYGCLRLSA-N -1 3 364.409 2.263 20 10 FECDHM NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000809728681 674507466 /nfs/dbraw/zinc/50/74/66/674507466.db2.gz FKQZZOZPBXWXPP-GOSISDBHSA-N -1 3 359.857 2.390 20 10 FECDHM CCCN1CCC[C@H]1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000826922280 603027167 /nfs/dbraw/zinc/02/71/67/603027167.db2.gz WCBOWGQEIILTOE-SJORKVTESA-N -1 3 362.474 2.052 20 10 FECDHM Cc1ccc(-c2nnn[n-]2)nc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826280609 608545041 /nfs/dbraw/zinc/54/50/41/608545041.db2.gz IWLRXXMSOZCRPL-UHFFFAOYSA-N -1 3 369.404 2.158 20 10 FECDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824458293 609417551 /nfs/dbraw/zinc/41/75/51/609417551.db2.gz VEAVZBGULDTLDT-SECBINFHSA-N -1 3 356.342 2.229 20 10 FECDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824458293 609417554 /nfs/dbraw/zinc/41/75/54/609417554.db2.gz VEAVZBGULDTLDT-SECBINFHSA-N -1 3 356.342 2.229 20 10 FECDHM Cc1ccnc(N(C)Cc2ccc(N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826309672 609524902 /nfs/dbraw/zinc/52/49/02/609524902.db2.gz XPBUWDCVSNWIKN-UHFFFAOYSA-N -1 3 365.441 2.043 20 10 FECDHM Cc1ccnc(N(C)Cc2ccc(N3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC000826309672 609524905 /nfs/dbraw/zinc/52/49/05/609524905.db2.gz XPBUWDCVSNWIKN-UHFFFAOYSA-N -1 3 365.441 2.043 20 10 FECDHM COc1cc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1C ZINC000055343067 670349965 /nfs/dbraw/zinc/34/99/65/670349965.db2.gz YWWLEORAUBBFSC-UHFFFAOYSA-N -1 3 364.423 2.011 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CC23CCSCC3)c1 ZINC000817620766 675154488 /nfs/dbraw/zinc/15/44/88/675154488.db2.gz JZAUSDMIIASBDN-LLVKDONJSA-N -1 3 370.496 2.027 20 10 FECDHM Cc1cccc(C)c1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000151339880 672160750 /nfs/dbraw/zinc/16/07/50/672160750.db2.gz LBOUFXDCDRHXNC-UHFFFAOYSA-N -1 3 362.451 2.353 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2cccc(F)c2F)c1 ZINC000732835084 673385892 /nfs/dbraw/zinc/38/58/92/673385892.db2.gz VIVNGDCWFNUBKE-UHFFFAOYSA-N -1 3 370.377 2.014 20 10 FECDHM COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3cnc(C)s3)C2)cc1 ZINC000819886912 675319166 /nfs/dbraw/zinc/31/91/66/675319166.db2.gz FBPRAFFEPIPLRC-CYBMUJFWSA-N -1 3 367.496 2.265 20 10 FECDHM CN(C)C(=O)N[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000825278775 675644824 /nfs/dbraw/zinc/64/48/24/675644824.db2.gz IRWUQQYIVPFNFM-CYBMUJFWSA-N -1 3 356.264 2.390 20 10 FECDHM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1cscn1 ZINC000827007724 675722824 /nfs/dbraw/zinc/72/28/24/675722824.db2.gz ABWIGODPHOEZPU-UHFFFAOYSA-N -1 3 355.510 2.175 20 10 FECDHM CC1(S(=O)(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000830627261 677051458 /nfs/dbraw/zinc/05/14/58/677051458.db2.gz HEUKZPUFCCXNFA-CQSZACIVSA-N -1 3 358.891 2.482 20 10 FECDHM CC(C)c1csc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000764348526 680807112 /nfs/dbraw/zinc/80/71/12/680807112.db2.gz KDXYDTRGUAMXPK-UHFFFAOYSA-N -1 3 369.468 2.274 20 10 FECDHM O=C(NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cccc(O)c1[O-] ZINC000768334562 680944363 /nfs/dbraw/zinc/94/43/63/680944363.db2.gz HYZNNHXEAZAJGU-JTQLQIEISA-N -1 3 355.312 2.096 20 10 FECDHM CC[C@@H](C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000769094439 680970751 /nfs/dbraw/zinc/97/07/51/680970751.db2.gz FRFGKDBROGDNSV-PELKAZGASA-N -1 3 368.377 2.471 20 10 FECDHM CC(C)(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000769927357 681000942 /nfs/dbraw/zinc/00/09/42/681000942.db2.gz FBOVGBMASZRWBK-LBPRGKRZSA-N -1 3 368.377 2.471 20 10 FECDHM O=C(C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCOCC1 ZINC000775647238 681321210 /nfs/dbraw/zinc/32/12/10/681321210.db2.gz SHFSKGNUZZLZMO-UHFFFAOYSA-N -1 3 356.825 2.256 20 10 FECDHM CN(C)c1ccc(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1F ZINC000776126809 681364687 /nfs/dbraw/zinc/36/46/87/681364687.db2.gz HDHJODKHEFTQMQ-UHFFFAOYSA-N -1 3 360.315 2.028 20 10 FECDHM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cnc(C)s3)C2)cc1 ZINC000849415515 681723189 /nfs/dbraw/zinc/72/31/89/681723189.db2.gz BBSXVYNMRVNLNW-GFCCVEGCSA-N -1 3 353.469 2.017 20 10 FECDHM COc1ncc(S(=O)(=O)[N-]CCCSc2nccs2)s1 ZINC000914106062 685494751 /nfs/dbraw/zinc/49/47/51/685494751.db2.gz WPHCNWZERPXQPA-UHFFFAOYSA-N -1 3 351.500 2.069 20 10 FECDHM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1c([O-])cccc1F ZINC000928708989 683491525 /nfs/dbraw/zinc/49/15/25/683491525.db2.gz UTIUUHIENKKEBI-LLVKDONJSA-N -1 3 356.394 2.077 20 10 FECDHM COC[C@]1(C(=O)OC)CCCN1Cc1c([O-])cccc1Br ZINC000862419028 683588697 /nfs/dbraw/zinc/58/86/97/683588697.db2.gz NCNNUULRIXGJEH-HNNXBMFYSA-N -1 3 358.232 2.309 20 10 FECDHM COC(=O)[C@@]1(OC)CCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000862475548 683594784 /nfs/dbraw/zinc/59/47/84/683594784.db2.gz OFUCNTBRWPSOHQ-OAHLLOKOSA-N -1 3 358.232 2.227 20 10 FECDHM COC(=O)CN(Cc1nnc(OC)s1)Cc1cc(Cl)ccc1[O-] ZINC000929977037 683664292 /nfs/dbraw/zinc/66/42/92/683664292.db2.gz QUWRKIYZOHCRTP-UHFFFAOYSA-N -1 3 357.819 2.081 20 10 FECDHM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)NCc1c([O-])cccc1F)O2 ZINC000924049038 684395269 /nfs/dbraw/zinc/39/52/69/684395269.db2.gz DEDYZTNJVIBECG-OVSNFEJUSA-N -1 3 352.406 2.303 20 10 FECDHM Cc1cc([O-])c(CN2CCn3c(nnc3-c3cn(C)cn3)C2)cc1Cl ZINC000877740829 686447800 /nfs/dbraw/zinc/44/78/00/686447800.db2.gz QXLSYQCWOPKLQG-UHFFFAOYSA-N -1 3 358.833 2.362 20 10 FECDHM COC(=O)[C@@H](Cc1cncs1)NCc1ccc(Br)cc1[O-] ZINC000877804055 686468210 /nfs/dbraw/zinc/46/82/10/686468210.db2.gz NARLUSYCSCLDEQ-GFCCVEGCSA-N -1 3 371.256 2.485 20 10 FECDHM CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC(F)F ZINC000881534231 687164690 /nfs/dbraw/zinc/16/46/90/687164690.db2.gz JGOYFTGGWVOGAA-UHFFFAOYSA-N -1 3 350.387 2.175 20 10 FECDHM COc1ccc(N2CCC([N-]S(=O)(=O)c3cccnc3F)CC2)cc1 ZINC000881855681 687235371 /nfs/dbraw/zinc/23/53/71/687235371.db2.gz UGHBOZVUVRXYME-UHFFFAOYSA-N -1 3 365.430 2.177 20 10 FECDHM COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Br)ccc1[O-] ZINC000895863100 689784308 /nfs/dbraw/zinc/78/43/08/689784308.db2.gz KVRSSCQOWPSPMG-CHWSQXEVSA-N -1 3 358.232 2.355 20 10 FECDHM COC(=O)c1ccsc1N1CC[C@H](N(C)Cc2ccccc2[O-])C1=O ZINC000072517876 541824940 /nfs/dbraw/zinc/82/49/40/541824940.db2.gz KKCGVDSLYJJKGQ-AWEZNQCLSA-N -1 3 360.435 2.478 20 10 FECDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000827000209 675722327 /nfs/dbraw/zinc/72/23/27/675722327.db2.gz IJEQRZKOQSQBPJ-GFCCVEGCSA-N -1 3 355.232 2.490 20 10 FECDHM COc1ccc(NCc2c(O)cccc2OC)cc1[N-]S(C)(=O)=O ZINC000802643115 674189283 /nfs/dbraw/zinc/18/92/83/674189283.db2.gz JPUGDCVZBMOFMJ-UHFFFAOYSA-N -1 3 352.412 2.393 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)[C@H](C)COC ZINC000123903476 543790822 /nfs/dbraw/zinc/79/08/22/543790822.db2.gz RLEVMPDEXIIAEE-SNVBAGLBSA-N -1 3 366.277 2.341 20 10 FECDHM O=S(=O)(C[C@H](O)CNCc1c([O-])cccc1Cl)c1cccs1 ZINC000129442303 544113314 /nfs/dbraw/zinc/11/33/14/544113314.db2.gz BRVKRZTUAKDCAP-SNVBAGLBSA-N -1 3 361.872 2.032 20 10 FECDHM COC(=O)Cc1nnc(NC(=O)c2sccc2-n2c(C)ccc2C)[n-]1 ZINC000135172286 544337151 /nfs/dbraw/zinc/33/71/51/544337151.db2.gz HCPJLXYECJYKRY-UHFFFAOYSA-N -1 3 359.411 2.242 20 10 FECDHM COC(=O)Cc1n[n-]c(NC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000135172286 544337153 /nfs/dbraw/zinc/33/71/53/544337153.db2.gz HCPJLXYECJYKRY-UHFFFAOYSA-N -1 3 359.411 2.242 20 10 FECDHM COC(=O)Cc1nc(NC(=O)c2sccc2-n2c(C)ccc2C)n[n-]1 ZINC000135172286 544337156 /nfs/dbraw/zinc/33/71/56/544337156.db2.gz HCPJLXYECJYKRY-UHFFFAOYSA-N -1 3 359.411 2.242 20 10 FECDHM Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158089722 545821343 /nfs/dbraw/zinc/82/13/43/545821343.db2.gz UVXRICHFEUXYCN-OAHLLOKOSA-N -1 3 362.861 2.482 20 10 FECDHM CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC2 ZINC000175715607 546338459 /nfs/dbraw/zinc/33/84/59/546338459.db2.gz WGMBYJZBLCKTCV-IRXDYDNUSA-N -1 3 351.418 2.486 20 10 FECDHM Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c([O-])c1O ZINC000182942404 547576564 /nfs/dbraw/zinc/57/65/64/547576564.db2.gz NRHNQOJJZQSDHV-HNNXBMFYSA-N -1 3 354.406 2.185 20 10 FECDHM C[C@@H](NCc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(F)cc1[O-] ZINC000185339747 547972676 /nfs/dbraw/zinc/97/26/76/547972676.db2.gz YNTNVILJAGVJAP-CYBMUJFWSA-N -1 3 372.444 2.479 20 10 FECDHM CC[C@@]1(c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)CCC(=O)NC1=O ZINC000274916396 550564871 /nfs/dbraw/zinc/56/48/71/550564871.db2.gz WFAIOZPADQRKQZ-FQEVSTJZSA-N -1 3 368.389 2.435 20 10 FECDHM CN(C)c1ccc(CN[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000277234834 550646054 /nfs/dbraw/zinc/64/60/54/550646054.db2.gz ISPNQVCHKKQKIP-SFHVURJKSA-N -1 3 356.422 2.429 20 10 FECDHM CC[C@H](C)NC(=O)CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277442091 550671124 /nfs/dbraw/zinc/67/11/24/550671124.db2.gz SIFLHWCOHYXNHZ-NSHDSACASA-N -1 3 367.833 2.115 20 10 FECDHM CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2 ZINC000278272239 550767567 /nfs/dbraw/zinc/76/75/67/550767567.db2.gz RUHSQYVFPPWIOA-HUUCEWRRSA-N -1 3 366.414 2.061 20 10 FECDHM CC(=O)c1cc(F)cc(CN2CCN(C3CCOCC3)C[C@@H]2C)c1[O-] ZINC000278410922 550782781 /nfs/dbraw/zinc/78/27/81/550782781.db2.gz HNLDTMXOVLYFEW-ZDUSSCGKSA-N -1 3 350.434 2.419 20 10 FECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000279413472 550887360 /nfs/dbraw/zinc/88/73/60/550887360.db2.gz XLBXPXYSWMQLRC-AAEUAGOBSA-N -1 3 350.415 2.473 20 10 FECDHM CCN(Cc1cc(Br)ccc1[O-])C[C@H]1CCS(=O)(=O)C1 ZINC000280147960 550965259 /nfs/dbraw/zinc/96/52/59/550965259.db2.gz XABBKNOXVHKECX-LLVKDONJSA-N -1 3 362.289 2.411 20 10 FECDHM CNC(=O)OC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290247064 552447789 /nfs/dbraw/zinc/44/77/89/552447789.db2.gz VGVJDSQPENCAGY-LBPRGKRZSA-N -1 3 353.375 2.020 20 10 FECDHM Cn1ccc(N2CCC[C@@H](NCc3cc(Cl)c(F)cc3[O-])C2=O)n1 ZINC000293686507 552847300 /nfs/dbraw/zinc/84/73/00/552847300.db2.gz RWLIKLHSPZLLSY-CYBMUJFWSA-N -1 3 352.797 2.203 20 10 FECDHM CN(C)CCOc1ccc(CCNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000294791262 552934364 /nfs/dbraw/zinc/93/43/64/552934364.db2.gz DIOZKIHKPNJEKV-UHFFFAOYSA-N -1 3 362.401 2.150 20 10 FECDHM CN(C(=O)c1cccc(O)c1[O-])[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000295307550 552984958 /nfs/dbraw/zinc/98/49/58/552984958.db2.gz MWZKOYPXGOSATR-CYBMUJFWSA-N -1 3 350.415 2.473 20 10 FECDHM O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363706154 555168132 /nfs/dbraw/zinc/16/81/32/555168132.db2.gz AEPZZRWNKALUGG-SWLSCSKDSA-N -1 3 366.845 2.079 20 10 FECDHM CC(=O)CSCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000365513537 555595846 /nfs/dbraw/zinc/59/58/46/555595846.db2.gz XZPYFJGHCYNDFK-OAHLLOKOSA-N -1 3 370.902 2.448 20 10 FECDHM COc1c([O-])c(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000365683305 555640094 /nfs/dbraw/zinc/64/00/94/555640094.db2.gz YCUVOBYVDWSFQL-PRXAMGSTSA-N -1 3 352.387 2.077 20 10 FECDHM CCOC(=O)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000367176126 556002915 /nfs/dbraw/zinc/00/29/15/556002915.db2.gz GUNFFHDVESWYBW-AWEZNQCLSA-N -1 3 354.834 2.079 20 10 FECDHM C[C@@H]1CC[C@]2(CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)C1 ZINC000376873062 558232309 /nfs/dbraw/zinc/23/23/09/558232309.db2.gz XEZJNYKTUMIFRU-PXAZEXFGSA-N -1 3 352.456 2.416 20 10 FECDHM O=C(NCc1cc(Cl)ccc1[O-])c1ccc(C(=O)N2CCOCC2)cc1 ZINC000529511632 562375967 /nfs/dbraw/zinc/37/59/67/562375967.db2.gz KADIHIIWSFHLNR-UHFFFAOYSA-N -1 3 374.824 2.448 20 10 FECDHM COc1cccc(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1O ZINC000821867608 599682700 /nfs/dbraw/zinc/68/27/00/599682700.db2.gz FUVNLCHAYCGGLC-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM COc1cccc(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000821867608 599682701 /nfs/dbraw/zinc/68/27/01/599682701.db2.gz FUVNLCHAYCGGLC-NSHDSACASA-N -1 3 368.397 2.141 20 10 FECDHM CN(C)c1ccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821589676 606662759 /nfs/dbraw/zinc/66/27/59/606662759.db2.gz YLDGPKOCHHSTHC-UHFFFAOYSA-N -1 3 358.352 2.141 20 10 FECDHM CN(C)c1ccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821589676 606662760 /nfs/dbraw/zinc/66/27/60/606662760.db2.gz YLDGPKOCHHSTHC-UHFFFAOYSA-N -1 3 358.352 2.141 20 10 FECDHM CC[C@H](O)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820932132 606941582 /nfs/dbraw/zinc/94/15/82/606941582.db2.gz LCPSAQYLPPXRJK-INIZCTEOSA-N -1 3 368.441 2.165 20 10 FECDHM COc1ccc(N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000821832068 606959822 /nfs/dbraw/zinc/95/98/22/606959822.db2.gz YGLFLIPBMKUBTG-UHFFFAOYSA-N -1 3 368.416 2.337 20 10 FECDHM COc1ccc(N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000821832068 606959824 /nfs/dbraw/zinc/95/98/24/606959824.db2.gz YGLFLIPBMKUBTG-UHFFFAOYSA-N -1 3 368.416 2.337 20 10 FECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ccccc2Cl)c1 ZINC000063700499 670410451 /nfs/dbraw/zinc/41/04/51/670410451.db2.gz BHROZTBEVFJQHG-UHFFFAOYSA-N -1 3 368.842 2.390 20 10 FECDHM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2cc(Cl)ccc2[O-])C1 ZINC000092964617 670746952 /nfs/dbraw/zinc/74/69/52/670746952.db2.gz GYAYXPTZQKWUQN-ZDUSSCGKSA-N -1 3 368.861 2.279 20 10 FECDHM O=S(=O)(c1ccccc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179876368 672406751 /nfs/dbraw/zinc/40/67/51/672406751.db2.gz QGBJUEPFJAYSEL-UHFFFAOYSA-N -1 3 350.415 2.038 20 10 FECDHM CS(=O)(=O)[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1C(F)(F)F ZINC000826893860 675714087 /nfs/dbraw/zinc/71/40/87/675714087.db2.gz DKKZZJBQYKPLST-BXKDBHETSA-N -1 3 357.781 2.453 20 10 FECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccccc2S(C)(=O)=O)c1 ZINC000840867521 680847870 /nfs/dbraw/zinc/84/78/70/680847870.db2.gz QOISVXLEZITYFJ-LBPRGKRZSA-N -1 3 363.435 2.433 20 10 FECDHM COC[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000874043204 685277908 /nfs/dbraw/zinc/27/79/08/685277908.db2.gz QLXJAIADZLBIIM-HNNXBMFYSA-N -1 3 374.231 2.086 20 10 FECDHM COC[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000874043204 685277915 /nfs/dbraw/zinc/27/79/15/685277915.db2.gz QLXJAIADZLBIIM-HNNXBMFYSA-N -1 3 374.231 2.086 20 10 FECDHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1C ZINC000758170248 680559134 /nfs/dbraw/zinc/55/91/34/680559134.db2.gz KNPUFUWNKZNEMN-UHFFFAOYSA-N -1 3 356.375 2.454 20 10 FECDHM CCC1(CC)[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1OC ZINC000768257267 680942135 /nfs/dbraw/zinc/94/21/35/680942135.db2.gz OUKLAGQLPVFIBU-CABCVRRESA-N -1 3 370.471 2.087 20 10 FECDHM COC(=O)CN(Cc1c[nH]c(C(=O)OC)c1)Cc1cc(Cl)ccc1[O-] ZINC000769380354 680980135 /nfs/dbraw/zinc/98/01/35/680980135.db2.gz UUBHSBHHSGDJSN-UHFFFAOYSA-N -1 3 366.801 2.336 20 10 FECDHM CCS[C@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769947117 681001529 /nfs/dbraw/zinc/00/15/29/681001529.db2.gz CIXUOSXJKJIGKN-OCCSQVGLSA-N -1 3 358.485 2.168 20 10 FECDHM COc1c([O-])c(CN2CCC([C@H](O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000774904974 681248435 /nfs/dbraw/zinc/24/84/35/681248435.db2.gz YLIDSOLZXLNIBP-AWEZNQCLSA-N -1 3 364.320 2.444 20 10 FECDHM COCCO[C@H]1C[C@H](CO)CN(Cc2cccc(Br)c2[O-])C1 ZINC000775204518 681284612 /nfs/dbraw/zinc/28/46/12/681284612.db2.gz ORJWNAWUZBHYKA-JSGCOSHPSA-N -1 3 374.275 2.001 20 10 FECDHM Cc1ccc(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c([O-])c1O ZINC000780919443 681887047 /nfs/dbraw/zinc/88/70/47/681887047.db2.gz HQJWDVRFRSBPPZ-UHFFFAOYSA-N -1 3 365.407 2.082 20 10 FECDHM COc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000919811744 683300464 /nfs/dbraw/zinc/30/04/64/683300464.db2.gz HOPJMSNDOABNKH-NSHDSACASA-N -1 3 364.423 2.263 20 10 FECDHM O=C(NCc1c([O-])cccc1F)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000928713060 683492928 /nfs/dbraw/zinc/49/29/28/683492928.db2.gz ZRYFXBWBSJSRLR-GXSJLCMTSA-N -1 3 351.296 2.132 20 10 FECDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)[C@H]2CCC[C@@H]21 ZINC000862388079 683581996 /nfs/dbraw/zinc/58/19/96/683581996.db2.gz WTUPPTIBTONISC-JSGCOSHPSA-N -1 3 360.273 2.306 20 10 FECDHM COc1cc(O)c(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1OC ZINC000872753044 685012962 /nfs/dbraw/zinc/01/29/62/685012962.db2.gz IPFBCEBXTWTUKE-HNNXBMFYSA-N -1 3 362.348 2.052 20 10 FECDHM COC(=O)C1=NO[C@@]2(CCN(Cc3ccc(Br)cc3[O-])C2)C1 ZINC000877712731 686443009 /nfs/dbraw/zinc/44/30/09/686443009.db2.gz SLQUOOITGGGCQS-HNNXBMFYSA-N -1 3 369.215 2.049 20 10 FECDHM COc1c([O-])c([C@@H]2NC(=O)c3cc(F)c(F)cc3N2)ccc1[N+](=O)[O-] ZINC000877859939 686474490 /nfs/dbraw/zinc/47/44/90/686474490.db2.gz WAHQMDSPSZVHSV-AWEZNQCLSA-N -1 3 351.265 2.441 20 10 FECDHM COc1c([O-])c(CN2CC[C@@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895578278 689739274 /nfs/dbraw/zinc/73/92/74/689739274.db2.gz YALCVIGAWKZCLH-ZDUSSCGKSA-N -1 3 350.293 2.462 20 10 FECDHM