smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1Br ZINC000432727815 563591529 /nfs/dbraw/zinc/59/15/29/563591529.db2.gz KWCNXTRPYBHNHE-UHFFFAOYSA-N -2 3 399.197 2.959 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000548265633 564545396 /nfs/dbraw/zinc/54/53/96/564545396.db2.gz GNWHFSQPDWKZIX-CQSZACIVSA-N -2 3 386.763 2.594 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000614336991 565108591 /nfs/dbraw/zinc/10/85/91/565108591.db2.gz BICVCTNLXUEAQF-AWEZNQCLSA-N -2 3 386.763 2.594 20 30 GFEDHL O=C([O-])C(F)(F)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737794089 598434688 /nfs/dbraw/zinc/43/46/88/598434688.db2.gz BNUGLCHXPMOJMB-XCVCLJGOSA-N -2 3 386.314 2.819 20 30 GFEDHL O=C([O-])C(F)(F)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737794089 598434690 /nfs/dbraw/zinc/43/46/90/598434690.db2.gz BNUGLCHXPMOJMB-XCVCLJGOSA-N -2 3 386.314 2.819 20 30 GFEDHL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822842778 599306733 /nfs/dbraw/zinc/30/67/33/599306733.db2.gz YFOOIFJIPGQIRR-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL C[C@@H](Oc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1)C(=O)[O-] ZINC000824737192 609473409 /nfs/dbraw/zinc/47/34/09/609473409.db2.gz CWMPTBYIZZZMMR-SNVBAGLBSA-N -2 3 386.799 2.818 20 30 GFEDHL C[C@@H](Oc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1)C(=O)[O-] ZINC000824737192 609473411 /nfs/dbraw/zinc/47/34/11/609473411.db2.gz CWMPTBYIZZZMMR-SNVBAGLBSA-N -2 3 386.799 2.818 20 30 GFEDHL O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc(O)cc(Br)c1[O-] ZINC000755617766 655886279 /nfs/dbraw/zinc/88/62/79/655886279.db2.gz QCHNSZPSNJPUFM-UHFFFAOYSA-N -2 3 392.234 2.741 20 30 GFEDHL O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc(O)c([O-])c(Br)c1 ZINC000757565447 655913192 /nfs/dbraw/zinc/91/31/92/655913192.db2.gz OQAMYILKKPFVAA-UHFFFAOYSA-N -2 3 392.234 2.741 20 30 GFEDHL N#Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c1 ZINC000318445226 563443917 /nfs/dbraw/zinc/44/39/17/563443917.db2.gz SVQIRMIFTSOCPM-UHFFFAOYSA-N -2 3 381.207 2.820 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1Br ZINC000427302887 563464818 /nfs/dbraw/zinc/46/48/18/563464818.db2.gz VDRRBRPJGIFEBS-UHFFFAOYSA-N -2 3 399.197 2.959 20 30 GFEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000541004302 564263179 /nfs/dbraw/zinc/26/31/79/564263179.db2.gz VTAOZCNBAGWIOT-GFCCVEGCSA-N -2 3 384.866 2.608 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000571170175 564538993 /nfs/dbraw/zinc/53/89/93/564538993.db2.gz WRBCEEXVXLCRAB-VIFPVBQESA-N -2 3 382.663 2.800 20 30 GFEDHL Cc1cc(C)cc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C(=O)[O-])c1 ZINC000548231088 564539892 /nfs/dbraw/zinc/53/98/92/564539892.db2.gz SHWCMJREDNQDHW-INIZCTEOSA-N -2 3 378.837 2.933 20 30 GFEDHL N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000548268518 564546320 /nfs/dbraw/zinc/54/63/20/564546320.db2.gz PXQAINWTJBAGQC-CQSZACIVSA-N -2 3 386.763 2.594 20 30 GFEDHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000574420795 564673797 /nfs/dbraw/zinc/67/37/97/564673797.db2.gz FLSAVPWYTRCYOK-LURJTMIESA-N -2 3 397.268 2.776 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000582047382 564828358 /nfs/dbraw/zinc/82/83/58/564828358.db2.gz YQJSGAWFEPNZTL-SECBINFHSA-N -2 3 382.663 2.800 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000562353667 565025901 /nfs/dbraw/zinc/02/59/01/565025901.db2.gz XYWDKXILNRWDTQ-UHFFFAOYSA-N -2 3 386.763 2.667 20 30 GFEDHL C[C@H](C#N)C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000609919692 566059293 /nfs/dbraw/zinc/05/92/93/566059293.db2.gz AVUUHGZPDISWMD-SNVBAGLBSA-N -2 3 379.825 2.945 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740028277 602241888 /nfs/dbraw/zinc/24/18/88/602241888.db2.gz LZTXWFHTLCLGRG-UHFFFAOYSA-N -2 3 380.404 2.888 20 30 GFEDHL CC(C)(C)c1[n-]n(CCCOc2ccc(-c3nn[n-]n3)cc2)c(=O)c1CCC#N ZINC000824141965 607973205 /nfs/dbraw/zinc/97/32/05/607973205.db2.gz PNEUBRWAIOWKLS-UHFFFAOYSA-N -2 3 395.467 2.992 20 30 GFEDHL N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826387393 608107928 /nfs/dbraw/zinc/10/79/28/608107928.db2.gz SPWJAADXLKRTIC-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826387393 608107929 /nfs/dbraw/zinc/10/79/29/608107929.db2.gz SPWJAADXLKRTIC-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451490257 564318720 /nfs/dbraw/zinc/31/87/20/564318720.db2.gz LNBRZQKRUCMNNR-GFCCVEGCSA-N -2 3 378.491 2.610 20 30 GFEDHL Cc1nc(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)sc1C(=O)[O-] ZINC000547879283 564514863 /nfs/dbraw/zinc/51/48/63/564514863.db2.gz QSASGAMJECLATH-UHFFFAOYSA-N -2 3 399.881 2.586 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2ccccc2n1 ZINC000823387835 606303538 /nfs/dbraw/zinc/30/35/38/606303538.db2.gz ZRYXCGNKMRXODH-MDWZMJQESA-N -2 3 377.385 2.671 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2ccccc2n1 ZINC000823387835 606303540 /nfs/dbraw/zinc/30/35/40/606303540.db2.gz ZRYXCGNKMRXODH-MDWZMJQESA-N -2 3 377.385 2.671 20 30 GFEDHL C[C@H](Oc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1)C(=O)[O-] ZINC000824737191 609473052 /nfs/dbraw/zinc/47/30/52/609473052.db2.gz CWMPTBYIZZZMMR-JTQLQIEISA-N -2 3 386.799 2.818 20 30 GFEDHL C[C@H](Oc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1)C(=O)[O-] ZINC000824737191 609473054 /nfs/dbraw/zinc/47/30/54/609473054.db2.gz CWMPTBYIZZZMMR-JTQLQIEISA-N -2 3 386.799 2.818 20 30 GFEDHL N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)ccc1Cl ZINC000826384499 609526301 /nfs/dbraw/zinc/52/63/01/609526301.db2.gz XWVFCNFZIFEZNY-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1Cl ZINC000826384499 609526303 /nfs/dbraw/zinc/52/63/03/609526303.db2.gz XWVFCNFZIFEZNY-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000740028580 603315290 /nfs/dbraw/zinc/31/52/90/603315290.db2.gz UIBUWOBERXQOJD-CJNGLKHVSA-N -2 3 375.425 2.578 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000596034450 677674236 /nfs/dbraw/zinc/67/42/36/677674236.db2.gz FYGMDKITKVMRMP-VIFPVBQESA-N -2 3 384.763 2.533 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000547940548 564524656 /nfs/dbraw/zinc/52/46/56/564524656.db2.gz PQWVKGHWVPSQRP-CQSZACIVSA-N -2 3 378.837 2.748 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)c(C(F)(F)F)c1 ZINC000548264785 564545227 /nfs/dbraw/zinc/54/52/27/564545227.db2.gz WHMKIVGNQFUNQZ-LBPRGKRZSA-N -2 3 390.364 2.743 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000548575954 564563274 /nfs/dbraw/zinc/56/32/74/564563274.db2.gz DFFLJJNTHWDDGW-AWEZNQCLSA-N -2 3 382.800 2.845 20 30 GFEDHL N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737695889 598496864 /nfs/dbraw/zinc/49/68/64/598496864.db2.gz XCUGGYSBOBKXJP-UHFFFAOYSA-N -2 3 386.462 2.673 20 30 GFEDHL N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737695889 598496865 /nfs/dbraw/zinc/49/68/65/598496865.db2.gz XCUGGYSBOBKXJP-UHFFFAOYSA-N -2 3 386.462 2.673 20 30 GFEDHL Cc1ncc(CO)c(/C=N/[C@@H](CC(=O)[O-])c2ccc(Br)cc2)c1[O-] ZINC000738371934 600494646 /nfs/dbraw/zinc/49/46/46/600494646.db2.gz UPQGNYFKAFHSAT-IGSPZPEDSA-N -2 3 393.237 2.985 20 30 GFEDHL COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc([N+](=O)[O-])c1[O-] ZINC000826178507 609269807 /nfs/dbraw/zinc/26/98/07/609269807.db2.gz AMBGXNOBKKQTLZ-GORDUTHDSA-N -2 3 385.311 2.524 20 30 GFEDHL COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc([N+](=O)[O-])c1[O-] ZINC000826178507 609269808 /nfs/dbraw/zinc/26/98/08/609269808.db2.gz AMBGXNOBKKQTLZ-GORDUTHDSA-N -2 3 385.311 2.524 20 30 GFEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000776589256 656763869 /nfs/dbraw/zinc/76/38/69/656763869.db2.gz UXVYODXNVCQJNP-SNVBAGLBSA-N -2 3 382.663 2.800 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000548595175 564565901 /nfs/dbraw/zinc/56/59/01/564565901.db2.gz WNWKJSAEGZILHJ-CQSZACIVSA-N -2 3 386.763 2.594 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F ZINC000556774012 564839384 /nfs/dbraw/zinc/83/93/84/564839384.db2.gz WSHAJLLAHGHKBT-MRVPVSSYSA-N -2 3 384.763 2.533 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000619546556 565348107 /nfs/dbraw/zinc/34/81/07/565348107.db2.gz NIDDWIFQWMYVCA-GFCCVEGCSA-N -2 3 390.364 2.743 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2ccccc2n1 ZINC000823387597 606388362 /nfs/dbraw/zinc/38/83/62/606388362.db2.gz QANLNCPOLUZADZ-XFXZXTDPSA-N -2 3 377.385 2.671 20 30 GFEDHL C=CCN1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CC1 ZINC000185009435 552350711 /nfs/dbraw/zinc/35/07/11/552350711.db2.gz BCWZYHKDLXZLKL-UHFFFAOYSA-N -2 3 393.292 2.620 20 30 GFEDHL CC#CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000542858488 564329359 /nfs/dbraw/zinc/32/93/59/564329359.db2.gz DZUXYAKEIXKQKZ-AWEZNQCLSA-N -2 3 385.869 2.664 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000547937494 564523489 /nfs/dbraw/zinc/52/34/89/564523489.db2.gz INQXWKYBBKPJLK-CQSZACIVSA-N -2 3 386.763 2.594 20 30 GFEDHL COc1cc([O-])cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000504048339 565033338 /nfs/dbraw/zinc/03/33/38/565033338.db2.gz BFBHPQSCOCOQCH-UHFFFAOYSA-N -2 3 383.223 2.836 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000614337005 565108506 /nfs/dbraw/zinc/10/85/06/565108506.db2.gz CICCDMCUPHIUGD-AWEZNQCLSA-N -2 3 386.763 2.594 20 30 GFEDHL CCCSC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(=O)[O-] ZINC000594673812 565405320 /nfs/dbraw/zinc/40/53/20/565405320.db2.gz XTZUCZROGBRBED-ZDUSSCGKSA-N -2 3 398.531 2.956 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000654786534 566023216 /nfs/dbraw/zinc/02/32/16/566023216.db2.gz DVLLZGMSEOKFAU-NSHDSACASA-N -2 3 392.271 2.546 20 30 GFEDHL C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000657037184 566210981 /nfs/dbraw/zinc/21/09/81/566210981.db2.gz WNNDBNSKONYQJB-WFASDCNBSA-N -2 3 390.502 2.610 20 30 GFEDHL N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822837327 599307285 /nfs/dbraw/zinc/30/72/85/599307285.db2.gz KADRVLCEJKAQMH-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1CC(=O)[O-] ZINC000821770073 607457570 /nfs/dbraw/zinc/45/75/70/607457570.db2.gz OLGJBSASOHWXMF-XQRVVYSFSA-N -2 3 382.351 2.538 20 30 GFEDHL COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1CC(=O)[O-] ZINC000821770073 607457571 /nfs/dbraw/zinc/45/75/71/607457571.db2.gz OLGJBSASOHWXMF-XQRVVYSFSA-N -2 3 382.351 2.538 20 30 GFEDHL O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823645159 606204784 /nfs/dbraw/zinc/20/47/84/606204784.db2.gz OVOKCKMADAKUAD-UHFFFAOYSA-N -2 3 393.285 2.945 20 30 GFEDHL O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823645159 606204785 /nfs/dbraw/zinc/20/47/85/606204785.db2.gz OVOKCKMADAKUAD-UHFFFAOYSA-N -2 3 393.285 2.945 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CCSc2ccccc2)C(=O)[O-])s1 ZINC000569979191 564486650 /nfs/dbraw/zinc/48/66/50/564486650.db2.gz OHNDXKISOMZUKP-CYBMUJFWSA-N -2 3 382.488 2.534 20 30 GFEDHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000570535270 564510504 /nfs/dbraw/zinc/51/05/04/564510504.db2.gz YXVXHILURRGWJS-LURJTMIESA-N -2 3 397.268 2.776 20 30 GFEDHL O=C([O-])c1cccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000814741625 598201103 /nfs/dbraw/zinc/20/11/03/598201103.db2.gz IPQWSXXXKKCEPK-HNNXBMFYSA-N -2 3 382.401 2.660 20 30 GFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1)C(=O)[O-] ZINC000820536121 607459347 /nfs/dbraw/zinc/45/93/47/607459347.db2.gz SCHOUQKNNIERQN-SKVAFPRGSA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1)C(=O)[O-] ZINC000820536121 607459349 /nfs/dbraw/zinc/45/93/49/607459349.db2.gz SCHOUQKNNIERQN-SKVAFPRGSA-N -2 3 382.351 2.754 20 30 GFEDHL COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc([N+](=O)[O-])c1[O-] ZINC000826178506 609269791 /nfs/dbraw/zinc/26/97/91/609269791.db2.gz AMBGXNOBKKQTLZ-DJWKRKHSSA-N -2 3 385.311 2.524 20 30 GFEDHL COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc([N+](=O)[O-])c1[O-] ZINC000826178506 609269792 /nfs/dbraw/zinc/26/97/92/609269792.db2.gz AMBGXNOBKKQTLZ-DJWKRKHSSA-N -2 3 385.311 2.524 20 30 GFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000823932331 609524791 /nfs/dbraw/zinc/52/47/91/609524791.db2.gz VDPZJBMWNJSYTJ-UHFFFAOYSA-N -2 3 391.840 2.886 20 30 GFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000823932331 609524793 /nfs/dbraw/zinc/52/47/93/609524793.db2.gz VDPZJBMWNJSYTJ-UHFFFAOYSA-N -2 3 391.840 2.886 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c1ccccc1 ZINC000548264194 564545429 /nfs/dbraw/zinc/54/54/29/564545429.db2.gz PSPMQNOMUGNSPZ-AWEZNQCLSA-N -2 3 378.837 2.748 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000654787589 566023038 /nfs/dbraw/zinc/02/30/38/566023038.db2.gz MPULLOWJRZAVNL-MRVPVSSYSA-N -2 3 382.663 2.800 20 30 GFEDHL C[C@@H](Oc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1)C(=O)[O-] ZINC000820536417 599112491 /nfs/dbraw/zinc/11/24/91/599112491.db2.gz SVIRALAOWZFXAZ-KMHUVPDISA-N -2 3 390.399 2.931 20 30 GFEDHL C[C@@H](Oc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1)C(=O)[O-] ZINC000820536417 599112492 /nfs/dbraw/zinc/11/24/92/599112492.db2.gz SVIRALAOWZFXAZ-KMHUVPDISA-N -2 3 390.399 2.931 20 30 GFEDHL C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506724938 600888454 /nfs/dbraw/zinc/88/84/54/600888454.db2.gz FENSZOVSCXRHLE-UHFFFAOYSA-N -2 3 389.433 2.802 20 30 GFEDHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1-c1nn[n-]n1 ZINC000826303709 607538353 /nfs/dbraw/zinc/53/83/53/607538353.db2.gz BAODZEFIPNZTSF-UHFFFAOYSA-N -2 3 398.448 2.635 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)[C@@H]1CCCCN1C(=O)[O-] ZINC000829821929 603599189 /nfs/dbraw/zinc/59/91/89/603599189.db2.gz ZYJIKNJOKGGPGJ-CJNGLKHVSA-N -2 3 375.425 2.673 20 30 GFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000819758997 606865368 /nfs/dbraw/zinc/86/53/68/606865368.db2.gz KISPJMNXXKFXNI-UHFFFAOYSA-N -2 3 393.375 2.511 20 30 GFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000819758997 606865369 /nfs/dbraw/zinc/86/53/69/606865369.db2.gz KISPJMNXXKFXNI-UHFFFAOYSA-N -2 3 393.375 2.511 20 30 GFEDHL C[C@@H](Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1)C(=O)[O-] ZINC000824739669 609273443 /nfs/dbraw/zinc/27/34/43/609273443.db2.gz ZBXQZQSOFOOHAR-AYLMVEPYSA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@@H](Oc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1)C(=O)[O-] ZINC000824739669 609273445 /nfs/dbraw/zinc/27/34/45/609273445.db2.gz ZBXQZQSOFOOHAR-AYLMVEPYSA-N -2 3 382.351 2.754 20 30 GFEDHL N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826385448 660454260 /nfs/dbraw/zinc/45/42/60/660454260.db2.gz MVSDQSBDXJPECV-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826385448 660454261 /nfs/dbraw/zinc/45/42/61/660454261.db2.gz MVSDQSBDXJPECV-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL N#Cc1cc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)ccc1Cl ZINC000551910949 564668131 /nfs/dbraw/zinc/66/81/31/564668131.db2.gz NBJNMCFJIUBZCU-SECBINFHSA-N -2 3 384.763 2.533 20 30 GFEDHL C=CCCSCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000594718894 565410625 /nfs/dbraw/zinc/41/06/25/565410625.db2.gz FBJAIVMKYBWXPV-UHFFFAOYSA-N -2 3 379.887 2.634 20 30 GFEDHL O=C([O-])CCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000823387664 599117436 /nfs/dbraw/zinc/11/74/36/599117436.db2.gz SZKVZJJSFUZDMH-GDNBJRDFSA-N -2 3 390.399 2.933 20 30 GFEDHL O=C([O-])CCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000823387664 599117440 /nfs/dbraw/zinc/11/74/40/599117440.db2.gz SZKVZJJSFUZDMH-GDNBJRDFSA-N -2 3 390.399 2.933 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000738228794 600855463 /nfs/dbraw/zinc/85/54/63/600855463.db2.gz AONLQBUPPYEBNY-AWEZNQCLSA-N -2 3 379.416 2.813 20 30 GFEDHL Cc1cccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1-c1nnn[n-]1 ZINC000826304096 607535342 /nfs/dbraw/zinc/53/53/42/607535342.db2.gz VXRGZZWFBFHDCS-UHFFFAOYSA-N -2 3 398.448 2.659 20 30 GFEDHL Cc1cccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1-c1nn[n-]n1 ZINC000826304096 607535344 /nfs/dbraw/zinc/53/53/44/607535344.db2.gz VXRGZZWFBFHDCS-UHFFFAOYSA-N -2 3 398.448 2.659 20 30 GFEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2NC(=O)[O-])ccc1F ZINC000738491030 602174502 /nfs/dbraw/zinc/17/45/02/602174502.db2.gz HAVDLPZIRYOQIK-UHFFFAOYSA-N -2 3 393.396 2.632 20 30 GFEDHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1C#N ZINC000833506886 604747283 /nfs/dbraw/zinc/74/72/83/604747283.db2.gz SMOLRDDZEGVETC-UHFFFAOYSA-N -2 3 378.381 2.984 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2ccccc2n1 ZINC000826461016 608874804 /nfs/dbraw/zinc/87/48/04/608874804.db2.gz BVYOBHRENYKKFS-GXDHUFHOSA-N -2 3 389.346 2.748 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2ccccc2n1 ZINC000826461016 608874805 /nfs/dbraw/zinc/87/48/05/608874805.db2.gz BVYOBHRENYKKFS-GXDHUFHOSA-N -2 3 389.346 2.748 20 30 GFEDHL CC[C@@H](C#N)S(=O)(=O)[N-]c1cc([O-])c(Br)cc1Br ZINC000416968178 563864789 /nfs/dbraw/zinc/86/47/89/563864789.db2.gz YFPHICKGMPJDNC-LURJTMIESA-N -2 3 398.076 2.961 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]CCC[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000570029469 564488859 /nfs/dbraw/zinc/48/88/59/564488859.db2.gz UCWVXSPNOOJIHY-AWEZNQCLSA-N -2 3 378.475 2.622 20 30 GFEDHL COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000821712478 599113059 /nfs/dbraw/zinc/11/30/59/599113059.db2.gz ITFSPEXFHBJVTD-WUXMJOGZSA-N -2 3 393.359 2.702 20 30 GFEDHL COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000821712478 599113060 /nfs/dbraw/zinc/11/30/60/599113060.db2.gz ITFSPEXFHBJVTD-WUXMJOGZSA-N -2 3 393.359 2.702 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000738229594 601039370 /nfs/dbraw/zinc/03/93/70/601039370.db2.gz LGTXWJAQMPEKAN-UHFFFAOYSA-N -2 3 386.433 2.559 20 30 GFEDHL C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000029330346 601319885 /nfs/dbraw/zinc/31/98/85/601319885.db2.gz MKIAXXLWOOHUFZ-UHFFFAOYSA-N -2 3 393.396 2.632 20 30 GFEDHL O=C([O-])c1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[nH]1 ZINC000749816024 601337222 /nfs/dbraw/zinc/33/72/22/601337222.db2.gz VCFRORZQUNCQMD-UHFFFAOYSA-N -2 3 384.417 2.960 20 30 GFEDHL COc1ccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1-c1nnn[n-]1 ZINC000826208723 607973507 /nfs/dbraw/zinc/97/35/07/607973507.db2.gz XTPUSPDYFRMRGG-UHFFFAOYSA-N -2 3 381.440 2.579 20 30 GFEDHL COc1ccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1-c1nn[n-]n1 ZINC000826208723 607973508 /nfs/dbraw/zinc/97/35/08/607973508.db2.gz XTPUSPDYFRMRGG-UHFFFAOYSA-N -2 3 381.440 2.579 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826386186 609526406 /nfs/dbraw/zinc/52/64/06/609526406.db2.gz SSNWTQBMEXNLBE-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826386186 609526408 /nfs/dbraw/zinc/52/64/08/609526408.db2.gz SSNWTQBMEXNLBE-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL C=CCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000754865602 655875544 /nfs/dbraw/zinc/87/55/44/655875544.db2.gz ZADDPTVTCAGJTH-VIFPVBQESA-N -2 3 382.663 2.800 20 30 GFEDHL C=CCN1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CC1 ZINC000185009577 552351197 /nfs/dbraw/zinc/35/11/97/552351197.db2.gz MLIZVSDJRZDUPC-UHFFFAOYSA-N -2 3 393.292 2.620 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1c(F)cccc1F ZINC000548265632 564545749 /nfs/dbraw/zinc/54/57/49/564545749.db2.gz GNWHFSQPDWKZIX-AWEZNQCLSA-N -2 3 386.763 2.594 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000548592029 564565259 /nfs/dbraw/zinc/56/52/59/564565259.db2.gz LAVZOCFYFLYDIQ-AWEZNQCLSA-N -2 3 385.228 2.969 20 30 GFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000594671341 565404152 /nfs/dbraw/zinc/40/41/52/565404152.db2.gz MXSDXKAJBLUOSH-SNVBAGLBSA-N -2 3 388.417 2.716 20 30 GFEDHL Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000737306164 598930676 /nfs/dbraw/zinc/93/06/76/598930676.db2.gz OHUUTSVQJMOXRQ-UHFFFAOYSA-N -2 3 398.448 2.635 20 30 GFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1)C(=O)[O-] ZINC000820536126 607459376 /nfs/dbraw/zinc/45/93/76/607459376.db2.gz SCHOUQKNNIERQN-WSKFYRRCSA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1)C(=O)[O-] ZINC000820536126 607459379 /nfs/dbraw/zinc/45/93/79/607459379.db2.gz SCHOUQKNNIERQN-WSKFYRRCSA-N -2 3 382.351 2.754 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(CNC(=O)[O-])CCCC[C@@H]1C ZINC000740028064 602430401 /nfs/dbraw/zinc/43/04/01/602430401.db2.gz CMISFAFDAZWUIU-FKIZINRSSA-N -2 3 388.468 2.541 20 30 GFEDHL Cc1c(C(=O)[O-])oc2c1C(=NNc1cc(-c3nn[n-]n3)cc(Cl)n1)CCC2 ZINC000826235006 608539120 /nfs/dbraw/zinc/53/91/20/608539120.db2.gz ZBAAHMGEGHUHBU-UHFFFAOYSA-N -2 3 387.787 2.667 20 30 GFEDHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000277251616 655309785 /nfs/dbraw/zinc/30/97/85/655309785.db2.gz LXTXMTAFMFCSIU-SSDOTTSWSA-N -2 3 383.241 2.528 20 30 GFEDHL COc1ccc(C=CC(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737081543 599155457 /nfs/dbraw/zinc/15/54/57/599155457.db2.gz OOUWVLIRWKJKOP-XYLWRLHESA-N -2 3 394.387 2.623 20 30 GFEDHL COc1ccc(C=CC(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737081543 599155460 /nfs/dbraw/zinc/15/54/60/599155460.db2.gz OOUWVLIRWKJKOP-XYLWRLHESA-N -2 3 394.387 2.623 20 30 GFEDHL N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000737706134 599561424 /nfs/dbraw/zinc/56/14/24/599561424.db2.gz WDLHKGUKBRVSFC-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL Cc1ccc([C@@H](CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(=O)[O-])cc1 ZINC000738552963 600158595 /nfs/dbraw/zinc/15/85/95/600158595.db2.gz CGIUSCWYTBTKMR-GOSISDBHSA-N -2 3 381.432 2.501 20 30 GFEDHL CSc1nc(C2CC2)cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)c1C#N ZINC000738207538 600205635 /nfs/dbraw/zinc/20/56/35/600205635.db2.gz FXEXGVJKBCMPSN-UHFFFAOYSA-N -2 3 389.462 2.674 20 30 GFEDHL CC(C)(C)c1[n-]n(CCCOc2cccc(-c3nnn[n-]3)c2)c(=O)c1CCC#N ZINC000824141507 607973186 /nfs/dbraw/zinc/97/31/86/607973186.db2.gz IWTIRXSBNDSVAV-UHFFFAOYSA-N -2 3 395.467 2.992 20 30 GFEDHL CC(C)(C)c1[n-]n(CCCOc2cccc(-c3nn[n-]n3)c2)c(=O)c1CCC#N ZINC000824141507 607973187 /nfs/dbraw/zinc/97/31/87/607973187.db2.gz IWTIRXSBNDSVAV-UHFFFAOYSA-N -2 3 395.467 2.992 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2ccccc2n1 ZINC000826461017 608874747 /nfs/dbraw/zinc/87/47/47/608874747.db2.gz BVYOBHRENYKKFS-UVTDQMKNSA-N -2 3 389.346 2.748 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2ccccc2n1 ZINC000826461017 608874748 /nfs/dbraw/zinc/87/47/48/608874748.db2.gz BVYOBHRENYKKFS-UVTDQMKNSA-N -2 3 389.346 2.748 20 30 GFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1)C(=O)[O-] ZINC000824738767 608879469 /nfs/dbraw/zinc/87/94/69/608879469.db2.gz RBXITPWRFMYOGJ-LXSSAFMLSA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1)C(=O)[O-] ZINC000824738767 608879470 /nfs/dbraw/zinc/87/94/70/608879470.db2.gz RBXITPWRFMYOGJ-LXSSAFMLSA-N -2 3 382.351 2.754 20 30 GFEDHL C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000797816776 659053626 /nfs/dbraw/zinc/05/36/26/659053626.db2.gz VICNFKXTTLUPEW-OTYXRUKQSA-N -2 3 394.276 2.951 20 30 GFEDHL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427339795 563466039 /nfs/dbraw/zinc/46/60/39/563466039.db2.gz XDQLPDARHPAGAB-UHFFFAOYSA-N -2 3 399.197 2.959 20 30 GFEDHL C=C(Cl)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Br ZINC000736094339 600238066 /nfs/dbraw/zinc/23/80/66/600238066.db2.gz BXEUWBUFKCNYGM-UHFFFAOYSA-N -2 3 389.054 2.832 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2n1 ZINC000823387820 607457070 /nfs/dbraw/zinc/45/70/70/607457070.db2.gz ZHIWNAOASKJCPV-NTEUORMPSA-N -2 3 389.346 2.748 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2n1 ZINC000823387820 607457072 /nfs/dbraw/zinc/45/70/72/607457072.db2.gz ZHIWNAOASKJCPV-NTEUORMPSA-N -2 3 389.346 2.748 20 30 GFEDHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccc(C#N)c1 ZINC000827756139 602161029 /nfs/dbraw/zinc/16/10/29/602161029.db2.gz WGNQNWIHESOXOP-QMMMGPOBSA-N -2 3 399.222 2.651 20 30 GFEDHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]CC(F)(C(F)(F)F)C(F)(F)F ZINC000899097001 663675475 /nfs/dbraw/zinc/67/54/75/663675475.db2.gz JGAIAPCRNYYCNI-YFKPBYRVSA-N -2 3 394.209 2.639 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000176432933 552140422 /nfs/dbraw/zinc/14/04/22/552140422.db2.gz ROFLVWKJTYKFJA-UHFFFAOYSA-N -2 3 390.237 2.903 20 30 GFEDHL N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000436998904 563687531 /nfs/dbraw/zinc/68/75/31/563687531.db2.gz ZQNSOBSARNPROS-UHFFFAOYSA-N -3 3 378.431 2.897 20 30 GFEDHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000460840435 564781967 /nfs/dbraw/zinc/78/19/67/564781967.db2.gz OCRAANRQSRGKNO-UHFFFAOYSA-N -2 3 399.881 2.692 20 30 GFEDHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC000584128823 564922586 /nfs/dbraw/zinc/92/25/86/564922586.db2.gz GVFOLCIJBVSOJH-SSDOTTSWSA-N -2 3 397.268 2.776 20 30 GFEDHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-] ZINC000614351147 565109540 /nfs/dbraw/zinc/10/95/40/565109540.db2.gz APLBHMFTQXNDGZ-NSHDSACASA-N -2 3 378.372 2.745 20 30 GFEDHL COc1ccc(C=CC(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737081534 599155009 /nfs/dbraw/zinc/15/50/09/599155009.db2.gz OOUWVLIRWKJKOP-VFFGBVLKSA-N -2 3 394.387 2.623 20 30 GFEDHL COc1ccc(C=CC(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737081534 599155012 /nfs/dbraw/zinc/15/50/12/599155012.db2.gz OOUWVLIRWKJKOP-VFFGBVLKSA-N -2 3 394.387 2.623 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000822832892 599307226 /nfs/dbraw/zinc/30/72/26/599307226.db2.gz ICORDSWKKUWOMK-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000822832892 599307229 /nfs/dbraw/zinc/30/72/29/599307229.db2.gz ICORDSWKKUWOMK-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(CNC(=O)[O-])CCCC[C@H]1C ZINC000740028065 602430443 /nfs/dbraw/zinc/43/04/43/602430443.db2.gz CMISFAFDAZWUIU-MPBGBICISA-N -2 3 388.468 2.541 20 30 GFEDHL C=CCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000776589253 656763506 /nfs/dbraw/zinc/76/35/06/656763506.db2.gz UXVYODXNVCQJNP-JTQLQIEISA-N -2 3 382.663 2.800 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000548575955 564563237 /nfs/dbraw/zinc/56/32/37/564563237.db2.gz DFFLJJNTHWDDGW-CQSZACIVSA-N -2 3 382.800 2.845 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c(C(F)(F)F)c1 ZINC000614318585 565106962 /nfs/dbraw/zinc/10/69/62/565106962.db2.gz NZOZQLFDCSJFGB-GFCCVEGCSA-N -2 3 390.364 2.743 20 30 GFEDHL COc1ccc(C=CC(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737081541 599155421 /nfs/dbraw/zinc/15/54/21/599155421.db2.gz OOUWVLIRWKJKOP-WMADIVHISA-N -2 3 394.387 2.623 20 30 GFEDHL COc1ccc(C=CC(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737081541 599155425 /nfs/dbraw/zinc/15/54/25/599155425.db2.gz OOUWVLIRWKJKOP-WMADIVHISA-N -2 3 394.387 2.623 20 30 GFEDHL O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1[O-] ZINC000738358979 598315276 /nfs/dbraw/zinc/31/52/76/598315276.db2.gz HHFXRNLUTBNWFV-UHFFFAOYSA-N -2 3 393.285 2.945 20 30 GFEDHL O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1[O-] ZINC000738358979 598315278 /nfs/dbraw/zinc/31/52/78/598315278.db2.gz HHFXRNLUTBNWFV-UHFFFAOYSA-N -2 3 393.285 2.945 20 30 GFEDHL O=[N+]([O-])c1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1[O-] ZINC000738360521 598316499 /nfs/dbraw/zinc/31/64/99/598316499.db2.gz QLTHEBOZZJDTIG-UHFFFAOYSA-N -2 3 393.285 2.945 20 30 GFEDHL O=[N+]([O-])c1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1[O-] ZINC000738360521 598316500 /nfs/dbraw/zinc/31/65/00/598316500.db2.gz QLTHEBOZZJDTIG-UHFFFAOYSA-N -2 3 393.285 2.945 20 30 GFEDHL N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000737729983 599560989 /nfs/dbraw/zinc/56/09/89/599560989.db2.gz BQXYNYFIWLPERL-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000737729983 599560991 /nfs/dbraw/zinc/56/09/91/599560991.db2.gz BQXYNYFIWLPERL-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1 ZINC000740028075 602484409 /nfs/dbraw/zinc/48/44/09/602484409.db2.gz CVXVFCKNRCQIDF-KRWDZBQOSA-N -2 3 388.468 2.541 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000042258858 654636958 /nfs/dbraw/zinc/63/69/58/654636958.db2.gz WHRAIQRANOSVNF-UHFFFAOYSA-N -2 3 399.881 2.856 20 30 GFEDHL C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000797816783 659053344 /nfs/dbraw/zinc/05/33/44/659053344.db2.gz VICNFKXTTLUPEW-YMTOWFKASA-N -2 3 394.276 2.951 20 30 GFEDHL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000153990728 551465060 /nfs/dbraw/zinc/46/50/60/551465060.db2.gz KTIYGPYIQKWYAM-UHFFFAOYSA-N -2 3 399.197 2.959 20 30 GFEDHL CC#CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000541004303 564263224 /nfs/dbraw/zinc/26/32/24/564263224.db2.gz VTAOZCNBAGWIOT-LBPRGKRZSA-N -2 3 384.866 2.608 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000547937493 564523627 /nfs/dbraw/zinc/52/36/27/564523627.db2.gz INQXWKYBBKPJLK-AWEZNQCLSA-N -2 3 386.763 2.594 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000548594623 564565823 /nfs/dbraw/zinc/56/58/23/564565823.db2.gz UUMAQFXQGQUVQR-CQSZACIVSA-N -2 3 385.228 2.969 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000619546583 565348732 /nfs/dbraw/zinc/34/87/32/565348732.db2.gz ZEBBZQFPELKMQK-LLVKDONJSA-N -2 3 384.866 2.810 20 30 GFEDHL O=C([O-])CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000823387008 599114360 /nfs/dbraw/zinc/11/43/60/599114360.db2.gz BAANENBDQDQEFF-PTNGSMBKSA-N -2 3 390.399 2.933 20 30 GFEDHL O=C([O-])CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000823387008 599114363 /nfs/dbraw/zinc/11/43/63/599114363.db2.gz BAANENBDQDQEFF-PTNGSMBKSA-N -2 3 390.399 2.933 20 30 GFEDHL C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000735390953 599559630 /nfs/dbraw/zinc/55/96/30/599559630.db2.gz JFLNTOAHDOGKKP-UHFFFAOYSA-N -2 3 393.350 2.668 20 30 GFEDHL C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000735390953 599559633 /nfs/dbraw/zinc/55/96/33/599559633.db2.gz JFLNTOAHDOGKKP-UHFFFAOYSA-N -2 3 393.350 2.668 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000832843431 601587473 /nfs/dbraw/zinc/58/74/73/601587473.db2.gz WWMHWILIIJWNJV-KRWDZBQOSA-N -2 3 387.823 2.804 20 30 GFEDHL CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(C(=O)[O-])c(F)c1 ZINC000823954074 609160120 /nfs/dbraw/zinc/16/01/20/609160120.db2.gz YGGNEYJZDZEAPD-UHFFFAOYSA-N -2 3 375.751 2.589 20 30 GFEDHL CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(C(=O)[O-])c(F)c1 ZINC000823954074 609160121 /nfs/dbraw/zinc/16/01/21/609160121.db2.gz YGGNEYJZDZEAPD-UHFFFAOYSA-N -2 3 375.751 2.589 20 30 GFEDHL O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000748248128 655789086 /nfs/dbraw/zinc/78/90/86/655789086.db2.gz HGRUYZDCVDJDNY-UHFFFAOYSA-N -2 3 390.204 2.920 20 30 GFEDHL CC[C@H](C#N)S(=O)(=O)[N-]c1cc([O-])c(Br)cc1Br ZINC000416968179 563864874 /nfs/dbraw/zinc/86/48/74/563864874.db2.gz YFPHICKGMPJDNC-ZCFIWIBFSA-N -2 3 398.076 2.961 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccc1F ZINC000548573187 564563318 /nfs/dbraw/zinc/56/33/18/564563318.db2.gz HFWQVRGMKZZDBL-CQSZACIVSA-N -2 3 382.800 2.845 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1Cl ZINC000530526114 564885571 /nfs/dbraw/zinc/88/55/71/564885571.db2.gz YOGYPGBCQQEDFT-CQSZACIVSA-N -2 3 385.228 2.969 20 30 GFEDHL N#Cc1sccc1S(=O)(=O)[N-]CCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000593270549 565322876 /nfs/dbraw/zinc/32/28/76/565322876.db2.gz YSXMSOWQBWDFOX-AWEZNQCLSA-N -2 3 378.475 2.622 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832843421 601297470 /nfs/dbraw/zinc/29/74/70/601297470.db2.gz WSKKGVZPNYJLOE-BFUOFWGJSA-N -2 3 381.432 2.787 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000740028582 603315401 /nfs/dbraw/zinc/31/54/01/603315401.db2.gz UIBUWOBERXQOJD-XJKSGUPXSA-N -2 3 375.425 2.578 20 30 GFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1)C(=O)[O-] ZINC000824738760 608879565 /nfs/dbraw/zinc/87/95/65/608879565.db2.gz RBXITPWRFMYOGJ-IOCXFXADSA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1)C(=O)[O-] ZINC000824738760 608879566 /nfs/dbraw/zinc/87/95/66/608879566.db2.gz RBXITPWRFMYOGJ-IOCXFXADSA-N -2 3 382.351 2.754 20 30 GFEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000790589655 658000576 /nfs/dbraw/zinc/00/05/76/658000576.db2.gz MBLKVLTWARQTGA-SECBINFHSA-N -2 3 382.663 2.800 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)cc1Cl ZINC000284940495 563495979 /nfs/dbraw/zinc/49/59/79/563495979.db2.gz CULVMPVUMTVOJH-VIFPVBQESA-N -2 3 384.763 2.533 20 30 GFEDHL C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451576626 564328683 /nfs/dbraw/zinc/32/86/83/564328683.db2.gz BSUACMDUURPTTC-UHFFFAOYSA-N -2 3 392.518 2.858 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(F)c1 ZINC000547932393 564523021 /nfs/dbraw/zinc/52/30/21/564523021.db2.gz BICMQXNKFRWDAW-CQSZACIVSA-N -2 3 386.763 2.594 20 30 GFEDHL C[C@H](Oc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1)C(=O)[O-] ZINC000820536419 599112195 /nfs/dbraw/zinc/11/21/95/599112195.db2.gz SVIRALAOWZFXAZ-ZENNRRHLSA-N -2 3 390.399 2.931 20 30 GFEDHL C[C@H](Oc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1)C(=O)[O-] ZINC000820536419 599112196 /nfs/dbraw/zinc/11/21/96/599112196.db2.gz SVIRALAOWZFXAZ-ZENNRRHLSA-N -2 3 390.399 2.931 20 30 GFEDHL CC(C)NC(=O)C(C#N)=C([O-])c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735881983 598726710 /nfs/dbraw/zinc/72/67/10/598726710.db2.gz MKYDWJKHMDWCIW-QGZVFWFLSA-N -2 3 390.403 2.506 20 30 GFEDHL N#CC(=C([O-])c1cccc(NC(=O)[O-])c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000739073970 600056368 /nfs/dbraw/zinc/05/63/68/600056368.db2.gz GHRVQXCOUUXKDH-AWEZNQCLSA-N -2 3 389.375 2.777 20 30 GFEDHL O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000739573489 600473179 /nfs/dbraw/zinc/47/31/79/600473179.db2.gz DYAXMQNPQXKCCL-OAHLLOKOSA-N -2 3 384.388 2.633 20 30 GFEDHL COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1OCCC(=O)[O-] ZINC000826178923 608143489 /nfs/dbraw/zinc/14/34/89/608143489.db2.gz RCMFAPKDZRLCKI-KRXBUXKQSA-N -2 3 394.387 2.625 20 30 GFEDHL COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1OCCC(=O)[O-] ZINC000826178923 608143490 /nfs/dbraw/zinc/14/34/90/608143490.db2.gz RCMFAPKDZRLCKI-KRXBUXKQSA-N -2 3 394.387 2.625 20 30 GFEDHL N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)ccc1Cl ZINC000826384306 660453741 /nfs/dbraw/zinc/45/37/41/660453741.db2.gz PVPDGVLYSHQSNT-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL C#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000733248245 655610479 /nfs/dbraw/zinc/61/04/79/655610479.db2.gz RLWVBEBSAMLOMR-UHFFFAOYSA-N -2 3 378.837 2.600 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000738230042 599935793 /nfs/dbraw/zinc/93/57/93/599935793.db2.gz NCDRDLXXUGVAQB-SFHVURJKSA-N -2 3 381.432 2.931 20 30 GFEDHL CC(C)(C)c1[n-]n(Cc2cn3ccccc3c2-c2nnn[n-]2)c(=O)c1CCC#N ZINC000824142462 607973376 /nfs/dbraw/zinc/97/33/76/607973376.db2.gz UGPYPPGICWUDSI-UHFFFAOYSA-N -2 3 390.451 2.823 20 30 GFEDHL CC(C)(C)c1[n-]n(Cc2cn3ccccc3c2-c2nn[n-]n2)c(=O)c1CCC#N ZINC000824142462 607973377 /nfs/dbraw/zinc/97/33/77/607973377.db2.gz UGPYPPGICWUDSI-UHFFFAOYSA-N -2 3 390.451 2.823 20 30 GFEDHL N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826385519 660454257 /nfs/dbraw/zinc/45/42/57/660454257.db2.gz PTASSXMAEABNIW-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000571170171 564538781 /nfs/dbraw/zinc/53/87/81/564538781.db2.gz WRBCEEXVXLCRAB-SECBINFHSA-N -2 3 382.663 2.800 20 30 GFEDHL Cc1cc(C)cc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C(=O)[O-])c1 ZINC000548231089 564539827 /nfs/dbraw/zinc/53/98/27/564539827.db2.gz SHWCMJREDNQDHW-MRXNPFEDSA-N -2 3 378.837 2.933 20 30 GFEDHL CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(I)ccc1[O-] ZINC000593210196 565320915 /nfs/dbraw/zinc/32/09/15/565320915.db2.gz NLGSCCRJASUTCS-UHFFFAOYSA-N -2 3 394.234 2.678 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000629305334 565840389 /nfs/dbraw/zinc/84/03/89/565840389.db2.gz ZIAKPOIURMBWJH-VIFPVBQESA-N -2 3 380.235 2.594 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656518852 566133176 /nfs/dbraw/zinc/13/31/76/566133176.db2.gz ZSGALVPVFIWKJP-SNVBAGLBSA-N -2 3 382.663 2.800 20 30 GFEDHL CCCCCCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000792562510 658300759 /nfs/dbraw/zinc/30/07/59/658300759.db2.gz LQJVPXUIBYPHSP-GFCCVEGCSA-N -2 3 379.910 2.864 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F ZINC000596034502 677674222 /nfs/dbraw/zinc/67/42/22/677674222.db2.gz HBQHJEOQJOSYRG-VIFPVBQESA-N -2 3 384.763 2.533 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCSc2ccccc2)C(=O)[O-])s1 ZINC000569979192 564486541 /nfs/dbraw/zinc/48/65/41/564486541.db2.gz OHNDXKISOMZUKP-ZDUSSCGKSA-N -2 3 382.488 2.534 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)c(Cl)c1 ZINC000547936396 564523228 /nfs/dbraw/zinc/52/32/28/564523228.db2.gz KMJZRKSAGGOGBL-AWEZNQCLSA-N -2 3 385.228 2.969 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832843423 601297376 /nfs/dbraw/zinc/29/73/76/601297376.db2.gz WSKKGVZPNYJLOE-DJJJIMSYSA-N -2 3 381.432 2.787 20 30 GFEDHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1C#N ZINC000826303878 607538191 /nfs/dbraw/zinc/53/81/91/607538191.db2.gz KGAMINQQCYLAQH-UHFFFAOYSA-N -2 3 398.448 2.635 20 30 GFEDHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1C#N ZINC000826303878 607538193 /nfs/dbraw/zinc/53/81/93/607538193.db2.gz KGAMINQQCYLAQH-UHFFFAOYSA-N -2 3 398.448 2.635 20 30 GFEDHL N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822837911 606340102 /nfs/dbraw/zinc/34/01/02/606340102.db2.gz YDMAUXZUVVXLIA-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1CC(=O)[O-] ZINC000826187205 607915714 /nfs/dbraw/zinc/91/57/14/607915714.db2.gz FUBOECKQYWNZGZ-ZZXKWVIFSA-N -2 3 382.351 2.538 20 30 GFEDHL COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1CC(=O)[O-] ZINC000826187205 607915715 /nfs/dbraw/zinc/91/57/15/607915715.db2.gz FUBOECKQYWNZGZ-ZZXKWVIFSA-N -2 3 382.351 2.538 20 30 GFEDHL N#Cc1ccc(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)s1 ZINC000486669334 531457882 /nfs/dbraw/zinc/45/78/82/531457882.db2.gz DQCPIRKCLIKYLF-UHFFFAOYSA-N -2 3 391.459 2.524 20 30 GFEDHL N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c1 ZINC000316215632 563441853 /nfs/dbraw/zinc/44/18/53/563441853.db2.gz NUTFBTGZOWMHFI-UHFFFAOYSA-N -2 3 381.207 2.820 20 30 GFEDHL Cc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)cc1C#N ZINC000324280556 563452459 /nfs/dbraw/zinc/45/24/59/563452459.db2.gz PRLWKCIIIFQYEQ-UHFFFAOYSA-N -2 3 396.222 2.523 20 30 GFEDHL N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000547909699 564520110 /nfs/dbraw/zinc/52/01/10/564520110.db2.gz OZMGGARWNMECKW-AWEZNQCLSA-N -2 3 382.800 2.845 20 30 GFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F ZINC000594671340 565404334 /nfs/dbraw/zinc/40/43/34/565404334.db2.gz MXSDXKAJBLUOSH-JTQLQIEISA-N -2 3 388.417 2.716 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650421637 565820551 /nfs/dbraw/zinc/82/05/51/565820551.db2.gz VLXVTITYWYJNCB-VIFPVBQESA-N -2 3 387.763 2.936 20 30 GFEDHL Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000737230547 598949242 /nfs/dbraw/zinc/94/92/42/598949242.db2.gz HWFBTWZZCCCQNX-UHFFFAOYSA-N -2 3 398.448 2.635 20 30 GFEDHL O=C([O-])COc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000823387318 599117480 /nfs/dbraw/zinc/11/74/80/599117480.db2.gz IHBZEOUDKPAFCN-RIYZIHGNSA-N -2 3 376.372 2.543 20 30 GFEDHL O=C([O-])COc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000823387318 599117483 /nfs/dbraw/zinc/11/74/83/599117483.db2.gz IHBZEOUDKPAFCN-RIYZIHGNSA-N -2 3 376.372 2.543 20 30 GFEDHL CN(C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-])C1(C#N)CCCCC1 ZINC000737324132 600144238 /nfs/dbraw/zinc/14/42/38/600144238.db2.gz LBRZYWBSBKAXQH-UHFFFAOYSA-N -2 3 393.871 2.617 20 30 GFEDHL Cc1ncc(CO)c(/C=N\[C@@H](CC(=O)[O-])c2ccc(Br)cc2)c1[O-] ZINC000738371610 600494728 /nfs/dbraw/zinc/49/47/28/600494728.db2.gz UPQGNYFKAFHSAT-DZWVFDFXSA-N -2 3 393.237 2.985 20 30 GFEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000738491209 602502717 /nfs/dbraw/zinc/50/27/17/602502717.db2.gz JELRASXETFPZDD-UHFFFAOYSA-N -2 3 393.396 2.632 20 30 GFEDHL O=C([O-])CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826461450 609272968 /nfs/dbraw/zinc/27/29/68/609272968.db2.gz VOPBJNOROVLOQZ-QPJJXVBHSA-N -2 3 382.351 2.755 20 30 GFEDHL O=C([O-])CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826461450 609272969 /nfs/dbraw/zinc/27/29/69/609272969.db2.gz VOPBJNOROVLOQZ-QPJJXVBHSA-N -2 3 382.351 2.755 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826383417 609338723 /nfs/dbraw/zinc/33/87/23/609338723.db2.gz ZLXNGAGYOBZRIJ-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826383417 609338725 /nfs/dbraw/zinc/33/87/25/609338725.db2.gz ZLXNGAGYOBZRIJ-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC000326259328 563454544 /nfs/dbraw/zinc/45/45/44/563454544.db2.gz QSTMGYQJLLOGLH-CQSZACIVSA-N -2 3 385.228 2.969 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000563853287 564210045 /nfs/dbraw/zinc/21/00/45/564210045.db2.gz MFYOOCPHNNEUDH-UHFFFAOYSA-N -2 3 386.763 2.667 20 30 GFEDHL C=CCC1(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCC1 ZINC000451951121 564371947 /nfs/dbraw/zinc/37/19/47/564371947.db2.gz JYBJAQOLJXDQTB-UHFFFAOYSA-N -2 3 390.502 2.612 20 30 GFEDHL CC[C@](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)(C(=O)[O-])c1ccccc1 ZINC000736908712 600132038 /nfs/dbraw/zinc/13/20/38/600132038.db2.gz ZLLGTDQBJWNORI-OAQYLSRUSA-N -2 3 381.432 2.715 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000832842461 601366413 /nfs/dbraw/zinc/36/64/13/601366413.db2.gz BVFKQRSQOKIDCS-UHFFFAOYSA-N -2 3 394.387 2.721 20 30 GFEDHL COc1ccc(CN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1-c1nnn[n-]1 ZINC000826195766 607527482 /nfs/dbraw/zinc/52/74/82/607527482.db2.gz FBXOPEZOPWYCHF-QGMBQPNBSA-N -2 3 388.771 2.762 20 30 GFEDHL COc1ccc(CN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1-c1nn[n-]n1 ZINC000826195766 607527483 /nfs/dbraw/zinc/52/74/83/607527483.db2.gz FBXOPEZOPWYCHF-QGMBQPNBSA-N -2 3 388.771 2.762 20 30 GFEDHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1C#N ZINC000771904701 605009879 /nfs/dbraw/zinc/00/98/79/605009879.db2.gz KHMQUOJWJDJGQQ-UHFFFAOYSA-N -2 3 378.381 2.984 20 30 GFEDHL CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(F)cc(F)c2[O-])o1 ZINC000819783251 606856321 /nfs/dbraw/zinc/85/63/21/606856321.db2.gz UGCIWHMHBREGSI-UHFFFAOYSA-N -2 3 377.355 2.873 20 30 GFEDHL CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(F)cc(F)c2[O-])o1 ZINC000819783251 606856322 /nfs/dbraw/zinc/85/63/22/606856322.db2.gz UGCIWHMHBREGSI-UHFFFAOYSA-N -2 3 377.355 2.873 20 30 GFEDHL COc1cc(C(=O)[O-])ccc1N=NCc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000826177414 607931083 /nfs/dbraw/zinc/93/10/83/607931083.db2.gz HHWRPKMNLPGKGM-UHFFFAOYSA-N -2 3 377.364 2.501 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1Br ZINC000432758670 563592253 /nfs/dbraw/zinc/59/22/53/563592253.db2.gz QXVBJDNPXSTPOB-UHFFFAOYSA-N -2 3 399.197 2.959 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000548562424 564560781 /nfs/dbraw/zinc/56/07/81/564560781.db2.gz SCQBUOAPDZKYPN-AWEZNQCLSA-N -2 3 399.255 2.839 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1F ZINC000548573186 564563320 /nfs/dbraw/zinc/56/33/20/564563320.db2.gz HFWQVRGMKZZDBL-AWEZNQCLSA-N -2 3 382.800 2.845 20 30 GFEDHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C(=O)[O-])c1C ZINC000548619311 564567655 /nfs/dbraw/zinc/56/76/55/564567655.db2.gz OUVBBTVKSKIPKB-MRXNPFEDSA-N -2 3 378.837 2.933 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000596036983 565506480 /nfs/dbraw/zinc/50/64/80/565506480.db2.gz VQFYSZFBYNEZHU-MRVPVSSYSA-N -2 3 384.763 2.533 20 30 GFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1)C(=O)[O-] ZINC000820536120 607459705 /nfs/dbraw/zinc/45/97/05/607459705.db2.gz SCHOUQKNNIERQN-AEZGRPFRSA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1)C(=O)[O-] ZINC000820536120 607459706 /nfs/dbraw/zinc/45/97/06/607459706.db2.gz SCHOUQKNNIERQN-AEZGRPFRSA-N -2 3 382.351 2.754 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)[C@H]1CCCCN1C(=O)[O-] ZINC000829821931 603599367 /nfs/dbraw/zinc/59/93/67/603599367.db2.gz ZYJIKNJOKGGPGJ-CZUORRHYSA-N -2 3 375.425 2.673 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1Cl ZINC000826386042 608107726 /nfs/dbraw/zinc/10/77/26/608107726.db2.gz MNNKYEPWMGYQBS-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL O=C([O-])CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826461523 609272909 /nfs/dbraw/zinc/27/29/09/609272909.db2.gz YEQRJAASOHTFKN-FPYGCLRLSA-N -2 3 382.351 2.755 20 30 GFEDHL O=C([O-])CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826461523 609272910 /nfs/dbraw/zinc/27/29/10/609272910.db2.gz YEQRJAASOHTFKN-FPYGCLRLSA-N -2 3 382.351 2.755 20 30 GFEDHL N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1Cl ZINC000826384183 609338852 /nfs/dbraw/zinc/33/88/52/609338852.db2.gz KKVSYZNTTOILNY-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)cc1Cl ZINC000826385865 660454269 /nfs/dbraw/zinc/45/42/69/660454269.db2.gz FPCFNDWNSXKAOH-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C(=O)[O-])c1 ZINC000547879178 564514880 /nfs/dbraw/zinc/51/48/80/564514880.db2.gz IPGHNLXBLFWKEJ-UHFFFAOYSA-N -2 3 379.825 2.777 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Cl)c1 ZINC000486532242 564655642 /nfs/dbraw/zinc/65/56/42/564655642.db2.gz RQEJEUUEMHTITG-UHFFFAOYSA-N -2 3 381.753 2.619 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)cc1F ZINC000555629404 564800607 /nfs/dbraw/zinc/80/06/07/564800607.db2.gz LWUMIQZFSJGUSK-UHFFFAOYSA-N -2 3 399.197 2.959 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000832843432 601587414 /nfs/dbraw/zinc/58/74/14/601587414.db2.gz WWMHWILIIJWNJV-QGZVFWFLSA-N -2 3 387.823 2.804 20 30 GFEDHL COc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000832231528 604855111 /nfs/dbraw/zinc/85/51/11/604855111.db2.gz UMRHQGRYPMWDOF-SFHVURJKSA-N -2 3 397.431 2.549 20 30 GFEDHL C=CCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000315729538 563440809 /nfs/dbraw/zinc/44/08/09/563440809.db2.gz DYGBHDVTFFYBHO-NSHDSACASA-N -2 3 392.271 2.546 20 30 GFEDHL N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000548268517 564546214 /nfs/dbraw/zinc/54/62/14/564546214.db2.gz PXQAINWTJBAGQC-AWEZNQCLSA-N -2 3 386.763 2.594 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1c(F)cccc1F ZINC000548595174 564565723 /nfs/dbraw/zinc/56/57/23/564565723.db2.gz WNWKJSAEGZILHJ-AWEZNQCLSA-N -2 3 386.763 2.594 20 30 GFEDHL N#Cc1cc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)ccc1Cl ZINC000551910950 564668311 /nfs/dbraw/zinc/66/83/11/564668311.db2.gz NBJNMCFJIUBZCU-VIFPVBQESA-N -2 3 384.763 2.533 20 30 GFEDHL C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735402086 598844791 /nfs/dbraw/zinc/84/47/91/598844791.db2.gz HLQDYFUSEKZYKC-UHFFFAOYSA-N -2 3 389.412 2.762 20 30 GFEDHL C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735402086 598844792 /nfs/dbraw/zinc/84/47/92/598844792.db2.gz HLQDYFUSEKZYKC-UHFFFAOYSA-N -2 3 389.412 2.762 20 30 GFEDHL O=C([O-])C(F)(F)Oc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737795778 598435227 /nfs/dbraw/zinc/43/52/27/598435227.db2.gz LSQAVTNENGDYER-RMKNXTFCSA-N -2 3 386.314 2.819 20 30 GFEDHL O=C([O-])C(F)(F)Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737795778 598435229 /nfs/dbraw/zinc/43/52/29/598435229.db2.gz LSQAVTNENGDYER-RMKNXTFCSA-N -2 3 386.314 2.819 20 30 GFEDHL Cc1ncc(CO)c(/C=N/[C@H](CC(=O)[O-])c2ccc(Br)cc2)c1[O-] ZINC000738371937 600494936 /nfs/dbraw/zinc/49/49/36/600494936.db2.gz UPQGNYFKAFHSAT-SOQIOHJVSA-N -2 3 393.237 2.985 20 30 GFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1)C(=O)[O-] ZINC000820536123 607459516 /nfs/dbraw/zinc/45/95/16/607459516.db2.gz SCHOUQKNNIERQN-TVRMLOFPSA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1)C(=O)[O-] ZINC000820536123 607459517 /nfs/dbraw/zinc/45/95/17/607459517.db2.gz SCHOUQKNNIERQN-TVRMLOFPSA-N -2 3 382.351 2.754 20 30 GFEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccc1F ZINC000825692146 601061576 /nfs/dbraw/zinc/06/15/76/601061576.db2.gz KNXVXWRPBUCDGY-UHFFFAOYSA-N -2 3 392.408 2.549 20 30 GFEDHL C=CCCS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000119639480 655309624 /nfs/dbraw/zinc/30/96/24/655309624.db2.gz WAFQSPZEHUCJBQ-UHFFFAOYSA-N -2 3 384.454 2.944 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)c(Cl)c1 ZINC000326228607 563454668 /nfs/dbraw/zinc/45/46/68/563454668.db2.gz ILEAZWZKYNALQV-CQSZACIVSA-N -2 3 385.228 2.969 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(F)c1 ZINC000547932392 564522837 /nfs/dbraw/zinc/52/28/37/564522837.db2.gz BICMQXNKFRWDAW-AWEZNQCLSA-N -2 3 386.763 2.594 20 30 GFEDHL CC(C)(C)c1[n-]n(CCOc2ccc(-c3nn[n-]n3)cc2)c(=O)c1CCC#N ZINC000819971422 606841574 /nfs/dbraw/zinc/84/15/74/606841574.db2.gz KPXPYIISXLBNFT-UHFFFAOYSA-N -2 3 381.440 2.601 20 30 GFEDHL COc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1OCCC(=O)[O-] ZINC000826178623 608143445 /nfs/dbraw/zinc/14/34/45/608143445.db2.gz FRTIOKHTRGHWBW-FNORWQNLSA-N -2 3 394.387 2.625 20 30 GFEDHL COc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1OCCC(=O)[O-] ZINC000826178623 608143446 /nfs/dbraw/zinc/14/34/46/608143446.db2.gz FRTIOKHTRGHWBW-FNORWQNLSA-N -2 3 394.387 2.625 20 30 GFEDHL N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826385233 660453717 /nfs/dbraw/zinc/45/37/17/660453717.db2.gz CHBYJYOHQAELQU-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826385233 660453718 /nfs/dbraw/zinc/45/37/18/660453718.db2.gz CHBYJYOHQAELQU-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840895196 661202100 /nfs/dbraw/zinc/20/21/00/661202100.db2.gz XZTGPSPQMHFRFY-MNOVXSKESA-N -2 3 380.249 2.704 20 30 GFEDHL O=C([N-]CC1CCC([N-]C(=O)C(F)(F)C(F)F)CC1)C(F)(F)C(F)F ZINC000841411213 661262003 /nfs/dbraw/zinc/26/20/03/661262003.db2.gz KTHYHLAUOUEYHJ-UHFFFAOYSA-N -2 3 384.267 2.578 20 30 GFEDHL Cc1cccc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C(=O)[O-])c1C ZINC000548619310 564567722 /nfs/dbraw/zinc/56/77/22/564567722.db2.gz OUVBBTVKSKIPKB-INIZCTEOSA-N -2 3 378.837 2.933 20 30 GFEDHL C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000657037182 566210681 /nfs/dbraw/zinc/21/06/81/566210681.db2.gz WNNDBNSKONYQJB-IUODEOHRSA-N -2 3 390.502 2.610 20 30 GFEDHL O=C([O-])CCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000823387665 599117493 /nfs/dbraw/zinc/11/74/93/599117493.db2.gz SZKVZJJSFUZDMH-XNTDXEJSSA-N -2 3 390.399 2.933 20 30 GFEDHL O=C([O-])CCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000823387665 599117495 /nfs/dbraw/zinc/11/74/95/599117495.db2.gz SZKVZJJSFUZDMH-XNTDXEJSSA-N -2 3 390.399 2.933 20 30 GFEDHL O=[N+]([O-])c1cc(Cl)cc(C=NCc2ccc(-c3nnn[n-]3)cc2F)c1[O-] ZINC000738358926 598296573 /nfs/dbraw/zinc/29/65/73/598296573.db2.gz FKLBTRCXVXPETE-WSVATBPTSA-N -2 3 376.735 2.892 20 30 GFEDHL O=[N+]([O-])c1cc(Cl)cc(C=NCc2ccc(-c3nn[n-]n3)cc2F)c1[O-] ZINC000738358926 598296574 /nfs/dbraw/zinc/29/65/74/598296574.db2.gz FKLBTRCXVXPETE-WSVATBPTSA-N -2 3 376.735 2.892 20 30 GFEDHL C[C@@H](Oc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1)C(=O)[O-] ZINC000794908400 604397464 /nfs/dbraw/zinc/39/74/64/604397464.db2.gz IOAQYPLEFUXNKH-LLVKDONJSA-N -2 3 398.423 2.585 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000826386162 608107809 /nfs/dbraw/zinc/10/78/09/608107809.db2.gz RLKQTVHKPGTQNQ-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1OCCC(=O)[O-] ZINC000826178924 608143507 /nfs/dbraw/zinc/14/35/07/608143507.db2.gz RCMFAPKDZRLCKI-WAPJZHGLSA-N -2 3 394.387 2.625 20 30 GFEDHL COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1OCCC(=O)[O-] ZINC000826178924 608143508 /nfs/dbraw/zinc/14/35/08/608143508.db2.gz RCMFAPKDZRLCKI-WAPJZHGLSA-N -2 3 394.387 2.625 20 30 GFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1)C(=O)[O-] ZINC000824738764 608879223 /nfs/dbraw/zinc/87/92/23/608879223.db2.gz RBXITPWRFMYOGJ-JYKYSHPRSA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@H](Oc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1)C(=O)[O-] ZINC000824738764 608879226 /nfs/dbraw/zinc/87/92/26/608879226.db2.gz RBXITPWRFMYOGJ-JYKYSHPRSA-N -2 3 382.351 2.754 20 30 GFEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000754865601 655875529 /nfs/dbraw/zinc/87/55/29/655875529.db2.gz ZADDPTVTCAGJTH-SECBINFHSA-N -2 3 382.663 2.800 20 30 GFEDHL Cc1nc(CCC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)sc1C(=O)[O-] ZINC000548535500 564556660 /nfs/dbraw/zinc/55/66/60/564556660.db2.gz NMSQRMVKRFVQFM-UHFFFAOYSA-N -2 3 399.881 2.586 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000572601680 564601585 /nfs/dbraw/zinc/60/15/85/564601585.db2.gz KDGVQMUASVVJCO-QMMMGPOBSA-N -2 3 382.663 2.800 20 30 GFEDHL N#CC1(CS(=O)(=O)[N-]c2cccc(Br)c2C(=O)[O-])CCCC1 ZINC000530143943 564866846 /nfs/dbraw/zinc/86/68/46/564866846.db2.gz VTODTZZMSKDPHA-UHFFFAOYSA-N -2 3 387.255 2.973 20 30 GFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735436014 598866532 /nfs/dbraw/zinc/86/65/32/598866532.db2.gz CLJXPOWTASSXIJ-UHFFFAOYSA-N -2 3 391.840 2.886 20 30 GFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735436014 598866533 /nfs/dbraw/zinc/86/65/33/598866533.db2.gz CLJXPOWTASSXIJ-UHFFFAOYSA-N -2 3 391.840 2.886 20 30 GFEDHL C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1 ZINC000833376447 605184550 /nfs/dbraw/zinc/18/45/50/605184550.db2.gz GAZOFGYWWYQQSZ-UHFFFAOYSA-N -2 3 389.433 2.802 20 30 GFEDHL Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(Br)cc(F)c2[O-])o1 ZINC000823962857 660383346 /nfs/dbraw/zinc/38/33/46/660383346.db2.gz PVKKXHAXUIDNBB-UHFFFAOYSA-N -2 3 396.180 2.606 20 30 GFEDHL Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(Br)cc(F)c2[O-])o1 ZINC000823962857 660383349 /nfs/dbraw/zinc/38/33/49/660383349.db2.gz PVKKXHAXUIDNBB-UHFFFAOYSA-N -2 3 396.180 2.606 20 30 GFEDHL C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000797816775 659053488 /nfs/dbraw/zinc/05/34/88/659053488.db2.gz VICNFKXTTLUPEW-LKFCYVNXSA-N -2 3 394.276 2.951 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000596034501 677674229 /nfs/dbraw/zinc/67/42/29/677674229.db2.gz HBQHJEOQJOSYRG-SECBINFHSA-N -2 3 384.763 2.533 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000737721220 599561481 /nfs/dbraw/zinc/56/14/81/599561481.db2.gz IDKNJIFLYQVOEB-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000737721220 599561484 /nfs/dbraw/zinc/56/14/84/599561484.db2.gz IDKNJIFLYQVOEB-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(OC)c1C(=O)[O-] ZINC000833734724 604862049 /nfs/dbraw/zinc/86/20/49/604862049.db2.gz VBORFVNDXJPJIE-UHFFFAOYSA-N -2 3 396.808 2.728 20 30 GFEDHL COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1CC(=O)[O-] ZINC000826187204 607915875 /nfs/dbraw/zinc/91/58/75/607915875.db2.gz FUBOECKQYWNZGZ-UTCJRWHESA-N -2 3 382.351 2.538 20 30 GFEDHL COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1CC(=O)[O-] ZINC000826187204 607915876 /nfs/dbraw/zinc/91/58/76/607915876.db2.gz FUBOECKQYWNZGZ-UTCJRWHESA-N -2 3 382.351 2.538 20 30 GFEDHL O=C([O-])CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826461449 609273148 /nfs/dbraw/zinc/27/31/48/609273148.db2.gz VOPBJNOROVLOQZ-DAXSKMNVSA-N -2 3 382.351 2.755 20 30 GFEDHL O=C([O-])CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826461449 609273150 /nfs/dbraw/zinc/27/31/50/609273150.db2.gz VOPBJNOROVLOQZ-DAXSKMNVSA-N -2 3 382.351 2.755 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000574161962 655425842 /nfs/dbraw/zinc/42/58/42/655425842.db2.gz NNVPBZUXXHGVIS-QMMMGPOBSA-N -2 3 382.663 2.800 20 30 GFEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000797429545 659020706 /nfs/dbraw/zinc/02/07/06/659020706.db2.gz WDKGVCAXRMQTKE-SNVBAGLBSA-N -2 3 382.663 2.800 20 30 GFEDHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479485314 564441670 /nfs/dbraw/zinc/44/16/70/564441670.db2.gz CHVWGKJOWWEPPT-UHFFFAOYSA-N -2 3 399.881 2.692 20 30 GFEDHL C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000625325883 565618615 /nfs/dbraw/zinc/61/86/15/565618615.db2.gz JQTNFVGVONNKOZ-UHFFFAOYSA-N -2 3 392.518 2.858 20 30 GFEDHL C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000657037181 566210948 /nfs/dbraw/zinc/21/09/48/566210948.db2.gz WNNDBNSKONYQJB-DOMZBBRYSA-N -2 3 390.502 2.610 20 30 GFEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2scc(C(=O)[O-])c2C)ccc1F ZINC000833376901 605158331 /nfs/dbraw/zinc/15/83/31/605158331.db2.gz VGMPTNSCPQTPHP-UHFFFAOYSA-N -2 3 398.437 2.610 20 30 GFEDHL N#Cc1ccc([O-])c(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000822832938 606295960 /nfs/dbraw/zinc/29/59/60/606295960.db2.gz JFSPXBPIQCPSGD-UHFFFAOYSA-N -2 3 399.370 2.884 20 30 GFEDHL N#Cc1ccc([O-])c(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000822832938 606295961 /nfs/dbraw/zinc/29/59/61/606295961.db2.gz JFSPXBPIQCPSGD-UHFFFAOYSA-N -2 3 399.370 2.884 20 30 GFEDHL C=CCC1([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCCC1 ZINC000451935359 564370331 /nfs/dbraw/zinc/37/03/31/564370331.db2.gz FAMSNSURRQQBOA-UHFFFAOYSA-N -2 3 390.502 2.755 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)c(C(F)(F)F)c1 ZINC000548264784 564545707 /nfs/dbraw/zinc/54/57/07/564545707.db2.gz WHMKIVGNQFUNQZ-GFCCVEGCSA-N -2 3 390.364 2.743 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)cc1F ZINC000573872873 564657894 /nfs/dbraw/zinc/65/78/94/564657894.db2.gz YWPQYYKOPLIBML-UHFFFAOYSA-N -2 3 399.197 2.959 20 30 GFEDHL C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000775383860 656635257 /nfs/dbraw/zinc/63/52/57/656635257.db2.gz NHUAKPTYJBJJBM-LLVKDONJSA-N -2 3 378.837 2.598 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000572601679 564601331 /nfs/dbraw/zinc/60/13/31/564601331.db2.gz KDGVQMUASVVJCO-MRVPVSSYSA-N -2 3 382.663 2.800 20 30 GFEDHL COc1ccc([C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593259676 565323327 /nfs/dbraw/zinc/32/33/27/565323327.db2.gz JDRPBMJVFKXJJO-CYBMUJFWSA-N -2 3 380.447 2.513 20 30 GFEDHL Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)c1C#N ZINC000826303727 607534522 /nfs/dbraw/zinc/53/45/22/607534522.db2.gz BQBLNYORQUHZCX-UHFFFAOYSA-N -2 3 398.448 2.635 20 30 GFEDHL COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c(Br)c1[O-] ZINC000435340109 563648104 /nfs/dbraw/zinc/64/81/04/563648104.db2.gz CEXDYNGRJPDUAU-VURMDHGXSA-N -2 3 376.210 2.987 20 30 GFEDHL COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c(Br)c1[O-] ZINC000435340108 563648212 /nfs/dbraw/zinc/64/82/12/563648212.db2.gz CEXDYNGRJPDUAU-SOFGYWHQSA-N -2 3 376.210 2.987 20 30 GFEDHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000547895032 564517688 /nfs/dbraw/zinc/51/76/88/564517688.db2.gz PWHWXFCZTOFMDE-JTQLQIEISA-N -2 3 378.372 2.889 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1F ZINC000548244499 564542403 /nfs/dbraw/zinc/54/24/03/564542403.db2.gz OHQGWZLEDBWGJG-AWEZNQCLSA-N -2 3 382.800 2.845 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650421636 565820433 /nfs/dbraw/zinc/82/04/33/565820433.db2.gz VLXVTITYWYJNCB-SECBINFHSA-N -2 3 387.763 2.936 20 30 GFEDHL N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737695857 598496484 /nfs/dbraw/zinc/49/64/84/598496484.db2.gz WUGRLSHIJKKRJX-UHFFFAOYSA-N -2 3 386.462 2.673 20 30 GFEDHL Cc1cccc(C[C@@H](CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(=O)[O-])c1 ZINC000738701812 600071574 /nfs/dbraw/zinc/07/15/74/600071574.db2.gz GHNAWAAUDNNSJJ-KRWDZBQOSA-N -2 3 395.459 2.576 20 30 GFEDHL C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000823877794 607535357 /nfs/dbraw/zinc/53/53/57/607535357.db2.gz FOZDSVBMEUGKNK-UHFFFAOYSA-N -2 3 385.449 2.931 20 30 GFEDHL C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000823877794 607535359 /nfs/dbraw/zinc/53/53/59/607535359.db2.gz FOZDSVBMEUGKNK-UHFFFAOYSA-N -2 3 385.449 2.931 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000548594621 564565561 /nfs/dbraw/zinc/56/55/61/564565561.db2.gz UUMAQFXQGQUVQR-AWEZNQCLSA-N -2 3 385.228 2.969 20 30 GFEDHL CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000462068984 564815426 /nfs/dbraw/zinc/81/54/26/564815426.db2.gz DUZCGJYKEURTGY-OAHLLOKOSA-N -2 3 379.463 2.531 20 30 GFEDHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-] ZINC000614351146 565109883 /nfs/dbraw/zinc/10/98/83/565109883.db2.gz APLBHMFTQXNDGZ-LLVKDONJSA-N -2 3 378.372 2.745 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656518851 566133266 /nfs/dbraw/zinc/13/32/66/566133266.db2.gz ZSGALVPVFIWKJP-JTQLQIEISA-N -2 3 382.663 2.800 20 30 GFEDHL COc1ccc(C=C2CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1-c1nnn[n-]1 ZINC000737083374 599156293 /nfs/dbraw/zinc/15/62/93/599156293.db2.gz NNUJVODMIWUKEW-YRNVUSSQSA-N -2 3 380.360 2.687 20 30 GFEDHL COc1ccc(C=C2CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1-c1nn[n-]n1 ZINC000737083374 599156296 /nfs/dbraw/zinc/15/62/96/599156296.db2.gz NNUJVODMIWUKEW-YRNVUSSQSA-N -2 3 380.360 2.687 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2n1 ZINC000823387821 607457183 /nfs/dbraw/zinc/45/71/83/607457183.db2.gz ZHIWNAOASKJCPV-ZROIWOOFSA-N -2 3 389.346 2.748 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2n1 ZINC000823387821 607457184 /nfs/dbraw/zinc/45/71/84/607457184.db2.gz ZHIWNAOASKJCPV-ZROIWOOFSA-N -2 3 389.346 2.748 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738228795 600855291 /nfs/dbraw/zinc/85/52/91/600855291.db2.gz AONLQBUPPYEBNY-CQSZACIVSA-N -2 3 379.416 2.813 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)[O-])Cc2ccccc21 ZINC000740028306 602245452 /nfs/dbraw/zinc/24/54/52/602245452.db2.gz NCXVAIMRLNEXCQ-UHFFFAOYSA-N -2 3 394.431 2.735 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)[C@H]1CCCCN1C(=O)[O-] ZINC000829821932 603599075 /nfs/dbraw/zinc/59/90/75/603599075.db2.gz ZYJIKNJOKGGPGJ-XJKSGUPXSA-N -2 3 375.425 2.673 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829820833 603945790 /nfs/dbraw/zinc/94/57/90/603945790.db2.gz JQJPKTBUNFIOFF-UHFFFAOYSA-N -2 3 380.404 2.888 20 30 GFEDHL CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCN(C(=O)[O-])CC1 ZINC000826862432 605824786 /nfs/dbraw/zinc/82/47/86/605824786.db2.gz HYIRKXWCKVCMFJ-UHFFFAOYSA-N -2 3 388.468 2.589 20 30 GFEDHL O=C([O-])CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826461522 609273077 /nfs/dbraw/zinc/27/30/77/609273077.db2.gz YEQRJAASOHTFKN-BAQGIRSFSA-N -2 3 382.351 2.755 20 30 GFEDHL O=C([O-])CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826461522 609273078 /nfs/dbraw/zinc/27/30/78/609273078.db2.gz YEQRJAASOHTFKN-BAQGIRSFSA-N -2 3 382.351 2.755 20 30 GFEDHL CC(=[NH+][N-]c1ncnc2[n-]cnc21)c1c[n-]c2ccc(Br)cc2c1=O ZINC000799875695 659237600 /nfs/dbraw/zinc/23/76/00/659237600.db2.gz AOYCUKGLDWWELP-UHFFFAOYSA-N -2 3 398.224 2.793 20 30 GFEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000315729537 563440664 /nfs/dbraw/zinc/44/06/64/563440664.db2.gz DYGBHDVTFFYBHO-LLVKDONJSA-N -2 3 392.271 2.546 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F ZINC000284913378 563494934 /nfs/dbraw/zinc/49/49/34/563494934.db2.gz BJNQWMYVJZWSFV-SECBINFHSA-N -2 3 384.763 2.533 20 30 GFEDHL N#CCc1ccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000570048924 564489261 /nfs/dbraw/zinc/48/92/61/564489261.db2.gz DVRDEVXZEVKVDK-SNVBAGLBSA-N -2 3 398.790 2.728 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)c(Cl)c1 ZINC000547932585 564522940 /nfs/dbraw/zinc/52/29/40/564522940.db2.gz IUAPJXSJUWCCQO-AWEZNQCLSA-N -2 3 386.763 2.594 20 30 GFEDHL O=C([O-])COc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000823387319 599117307 /nfs/dbraw/zinc/11/73/07/599117307.db2.gz IHBZEOUDKPAFCN-ZSOIEALJSA-N -2 3 376.372 2.543 20 30 GFEDHL O=C([O-])COc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000823387319 599117309 /nfs/dbraw/zinc/11/73/09/599117309.db2.gz IHBZEOUDKPAFCN-ZSOIEALJSA-N -2 3 376.372 2.543 20 30 GFEDHL C[C@H](Oc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1)C(=O)[O-] ZINC000794908404 604397735 /nfs/dbraw/zinc/39/77/35/604397735.db2.gz IOAQYPLEFUXNKH-NSHDSACASA-N -2 3 398.423 2.585 20 30 GFEDHL C#CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000761289525 604636394 /nfs/dbraw/zinc/63/63/94/604636394.db2.gz UBNJHOUFCFHOOG-NSHDSACASA-N -2 3 398.234 2.783 20 30 GFEDHL CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccccc1OCC(=O)[O-] ZINC000833387271 605330085 /nfs/dbraw/zinc/33/00/85/605330085.db2.gz ZLGBKKCMMIVMHF-UHFFFAOYSA-N -2 3 398.423 2.586 20 30 GFEDHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000277251618 655309707 /nfs/dbraw/zinc/30/97/07/655309707.db2.gz LXTXMTAFMFCSIU-ZETCQYMHSA-N -2 3 383.241 2.528 20 30 GFEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000542858489 564329694 /nfs/dbraw/zinc/32/96/94/564329694.db2.gz DZUXYAKEIXKQKZ-CQSZACIVSA-N -2 3 385.869 2.664 20 30 GFEDHL Cc1nc(CCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)sc1C(=O)[O-] ZINC000548529180 564555776 /nfs/dbraw/zinc/55/57/76/564555776.db2.gz RLZBQUKKCVMIHY-UHFFFAOYSA-N -2 3 399.881 2.586 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000548569650 564562447 /nfs/dbraw/zinc/56/24/47/564562447.db2.gz MOPYTWFDGYCJRH-AWEZNQCLSA-N -2 3 382.800 2.845 20 30 GFEDHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000486522343 564654750 /nfs/dbraw/zinc/65/47/50/564654750.db2.gz TZMDMHHQAFPILE-UHFFFAOYSA-N -2 3 380.809 2.648 20 30 GFEDHL N#Cc1cc([O-])cc(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000589185928 565155282 /nfs/dbraw/zinc/15/52/82/565155282.db2.gz YYSPQIZTVFYOTM-UHFFFAOYSA-N -2 3 380.141 2.826 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000619546557 565348454 /nfs/dbraw/zinc/34/84/54/565348454.db2.gz NIDDWIFQWMYVCA-LBPRGKRZSA-N -2 3 390.364 2.743 20 30 GFEDHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000737225758 598949476 /nfs/dbraw/zinc/94/94/76/598949476.db2.gz RBQHUDJMSHTUOZ-UHFFFAOYSA-N -2 3 398.448 2.635 20 30 GFEDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000737225758 598949478 /nfs/dbraw/zinc/94/94/78/598949478.db2.gz RBQHUDJMSHTUOZ-UHFFFAOYSA-N -2 3 398.448 2.635 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)[C@@H]1CCCCN1C(=O)[O-] ZINC000829821913 603599241 /nfs/dbraw/zinc/59/92/41/603599241.db2.gz ZYJIKNJOKGGPGJ-BBRMVZONSA-N -2 3 375.425 2.673 20 30 GFEDHL CCOC(=O)Nc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1-c1nnn[n-]1 ZINC000825521941 607679568 /nfs/dbraw/zinc/67/95/68/607679568.db2.gz AGHQKOJCRNCDKX-UHFFFAOYSA-N -2 3 397.351 2.800 20 30 GFEDHL CCOC(=O)Nc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1-c1nn[n-]n1 ZINC000825521941 607679571 /nfs/dbraw/zinc/67/95/71/607679571.db2.gz AGHQKOJCRNCDKX-UHFFFAOYSA-N -2 3 397.351 2.800 20 30 GFEDHL C#CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000761289524 604636664 /nfs/dbraw/zinc/63/66/64/604636664.db2.gz UBNJHOUFCFHOOG-LLVKDONJSA-N -2 3 398.234 2.783 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826383231 660453531 /nfs/dbraw/zinc/45/35/31/660453531.db2.gz QJFRJFJRTFVAPU-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000582471197 564848113 /nfs/dbraw/zinc/84/81/13/564848113.db2.gz HQSYUJZTQRQBMO-QMMMGPOBSA-N -2 3 382.663 2.800 20 30 GFEDHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000504037001 565033413 /nfs/dbraw/zinc/03/34/13/565033413.db2.gz TUNWLWCTMNRUSX-UHFFFAOYSA-N -2 3 399.881 2.692 20 30 GFEDHL N#Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1[O-] ZINC000615484674 565162183 /nfs/dbraw/zinc/16/21/83/565162183.db2.gz SPIRJTQJNNZXRQ-UHFFFAOYSA-N -2 3 380.141 2.826 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000654786533 566023094 /nfs/dbraw/zinc/02/30/94/566023094.db2.gz DVLLZGMSEOKFAU-LLVKDONJSA-N -2 3 392.271 2.546 20 30 GFEDHL N#CC(=C([O-])c1cccc(NC(=O)[O-])c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000739073976 600056383 /nfs/dbraw/zinc/05/63/83/600056383.db2.gz GHRVQXCOUUXKDH-CQSZACIVSA-N -2 3 389.375 2.777 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CNC(=O)[O-])C1CCCCC1 ZINC000740028076 602484413 /nfs/dbraw/zinc/48/44/13/602484413.db2.gz CVXVFCKNRCQIDF-QGZVFWFLSA-N -2 3 388.468 2.541 20 30 GFEDHL O=C([O-])CCOc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826461347 609474762 /nfs/dbraw/zinc/47/47/62/609474762.db2.gz QUNJIGXRBBCWEI-UHFFFAOYSA-N -2 3 386.799 2.820 20 30 GFEDHL O=C([O-])CCOc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826461347 609474763 /nfs/dbraw/zinc/47/47/63/609474763.db2.gz QUNJIGXRBBCWEI-UHFFFAOYSA-N -2 3 386.799 2.820 20 30 GFEDHL O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(Cl)c([O-])cc1Cl ZINC000758119712 655923214 /nfs/dbraw/zinc/92/32/14/655923214.db2.gz YUYUVEIGZZLVJF-UHFFFAOYSA-N -2 3 390.204 2.920 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)cc1Cl ZINC000284940493 563496080 /nfs/dbraw/zinc/49/60/80/563496080.db2.gz CULVMPVUMTVOJH-SECBINFHSA-N -2 3 384.763 2.533 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000547940547 564524642 /nfs/dbraw/zinc/52/46/42/564524642.db2.gz PQWVKGHWVPSQRP-AWEZNQCLSA-N -2 3 378.837 2.748 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)c(C(F)(F)F)c1 ZINC000614318587 565107144 /nfs/dbraw/zinc/10/71/44/565107144.db2.gz NZOZQLFDCSJFGB-LBPRGKRZSA-N -2 3 390.364 2.743 20 30 GFEDHL COc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1OCCC(=O)[O-] ZINC000826178622 608143501 /nfs/dbraw/zinc/14/35/01/608143501.db2.gz FRTIOKHTRGHWBW-ALCCZGGFSA-N -2 3 394.387 2.625 20 30 GFEDHL COc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1OCCC(=O)[O-] ZINC000826178622 608143502 /nfs/dbraw/zinc/14/35/02/608143502.db2.gz FRTIOKHTRGHWBW-ALCCZGGFSA-N -2 3 394.387 2.625 20 30 GFEDHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000548591107 564564403 /nfs/dbraw/zinc/56/44/03/564564403.db2.gz DBICRAYBUBFALU-GFCCVEGCSA-N -2 3 378.372 2.745 20 30 GFEDHL O=C(N=c1[n-]nc(C(F)(F)C(F)(F)F)s1)[N-]CC(F)(F)C(F)F ZINC000640385149 565305955 /nfs/dbraw/zinc/30/59/55/565305955.db2.gz ABDCKMUAIVUUOJ-UHFFFAOYSA-N -2 3 376.204 2.636 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)c1 ZINC000596035309 565506884 /nfs/dbraw/zinc/50/68/84/565506884.db2.gz MCAAKGAODDYVBP-VIFPVBQESA-N -2 3 384.763 2.533 20 30 GFEDHL O=C([O-])C(F)(F)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737794086 598434742 /nfs/dbraw/zinc/43/47/42/598434742.db2.gz BNUGLCHXPMOJMB-KMKOMSMNSA-N -2 3 386.314 2.819 20 30 GFEDHL O=C([O-])C(F)(F)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737794086 598434744 /nfs/dbraw/zinc/43/47/44/598434744.db2.gz BNUGLCHXPMOJMB-KMKOMSMNSA-N -2 3 386.314 2.819 20 30 GFEDHL Cc1ccc([C@H](CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(=O)[O-])cc1 ZINC000738552964 600158442 /nfs/dbraw/zinc/15/84/42/600158442.db2.gz CGIUSCWYTBTKMR-SFHVURJKSA-N -2 3 381.432 2.501 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832843425 601297423 /nfs/dbraw/zinc/29/74/23/601297423.db2.gz WSKKGVZPNYJLOE-YJYMSZOUSA-N -2 3 381.432 2.787 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)cc1 ZINC000389110120 563521078 /nfs/dbraw/zinc/52/10/78/563521078.db2.gz AGZYSSLGXVDOJI-UHFFFAOYSA-N -2 3 381.207 2.820 20 30 GFEDHL C=CCCCC[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451424060 564312473 /nfs/dbraw/zinc/31/24/73/564312473.db2.gz WSAQKLCFRHWBJA-UHFFFAOYSA-N -2 3 378.491 2.612 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000548266746 564545390 /nfs/dbraw/zinc/54/53/90/564545390.db2.gz FABQHAZHZKAFMJ-AWEZNQCLSA-N -2 3 378.837 2.748 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000548264202 564545530 /nfs/dbraw/zinc/54/55/30/564545530.db2.gz PSPMQNOMUGNSPZ-CQSZACIVSA-N -2 3 378.837 2.748 20 30 GFEDHL O=C([O-])COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000823387305 599112254 /nfs/dbraw/zinc/11/22/54/599112254.db2.gz IDOPMGZETUBEDN-NTEUORMPSA-N -2 3 376.372 2.543 20 30 GFEDHL O=C([O-])COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000823387305 599112256 /nfs/dbraw/zinc/11/22/56/599112256.db2.gz IDOPMGZETUBEDN-NTEUORMPSA-N -2 3 376.372 2.543 20 30 GFEDHL O=C([O-])C(F)(F)Oc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737795780 598435377 /nfs/dbraw/zinc/43/53/77/598435377.db2.gz LSQAVTNENGDYER-TWGQIWQCSA-N -2 3 386.314 2.819 20 30 GFEDHL O=C([O-])C(F)(F)Oc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737795780 598435379 /nfs/dbraw/zinc/43/53/79/598435379.db2.gz LSQAVTNENGDYER-TWGQIWQCSA-N -2 3 386.314 2.819 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000738230039 599935748 /nfs/dbraw/zinc/93/57/48/599935748.db2.gz NCDRDLXXUGVAQB-GOSISDBHSA-N -2 3 381.432 2.931 20 30 GFEDHL N#Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(F)cc1Br ZINC000739141882 600898352 /nfs/dbraw/zinc/89/83/52/600898352.db2.gz BTWWZMZBJGEAAB-UHFFFAOYSA-N -2 3 399.197 2.959 20 30 GFEDHL COc1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc(Br)c1[O-] ZINC000254716375 655435717 /nfs/dbraw/zinc/43/57/17/655435717.db2.gz QGCJOGZZTICXPQ-UHFFFAOYSA-N -2 3 397.176 2.945 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000654787590 566023175 /nfs/dbraw/zinc/02/31/75/566023175.db2.gz MPULLOWJRZAVNL-QMMMGPOBSA-N -2 3 382.663 2.800 20 30 GFEDHL C[C@@H](C#N)C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000609919691 566059104 /nfs/dbraw/zinc/05/91/04/566059104.db2.gz AVUUHGZPDISWMD-JTQLQIEISA-N -2 3 379.825 2.945 20 30 GFEDHL COc1ccc(C=CC(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737081539 599155519 /nfs/dbraw/zinc/15/55/19/599155519.db2.gz OOUWVLIRWKJKOP-WAFBPQNNSA-N -2 3 394.387 2.623 20 30 GFEDHL COc1ccc(C=CC(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000737081539 599155521 /nfs/dbraw/zinc/15/55/21/599155521.db2.gz OOUWVLIRWKJKOP-WAFBPQNNSA-N -2 3 394.387 2.623 20 30 GFEDHL CC(C)NC(=O)C(C#N)=C([O-])c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735881980 598727045 /nfs/dbraw/zinc/72/70/45/598727045.db2.gz MKYDWJKHMDWCIW-KRWDZBQOSA-N -2 3 390.403 2.506 20 30 GFEDHL CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000736191675 600126188 /nfs/dbraw/zinc/12/61/88/600126188.db2.gz ZSMNKBZXJGORGM-UHFFFAOYSA-N -2 3 382.372 2.715 20 30 GFEDHL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825332887 607534857 /nfs/dbraw/zinc/53/48/57/607534857.db2.gz OCMQLDVLLDWCIX-UHFFFAOYSA-N -2 3 397.464 2.670 20 30 GFEDHL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825332887 607534858 /nfs/dbraw/zinc/53/48/58/607534858.db2.gz OCMQLDVLLDWCIX-UHFFFAOYSA-N -2 3 397.464 2.670 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(CNC(=O)[O-])CCCC[C@H]1C ZINC000740028066 602430490 /nfs/dbraw/zinc/43/04/90/602430490.db2.gz CMISFAFDAZWUIU-ODXCJYRJSA-N -2 3 388.468 2.541 20 30 GFEDHL N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000853071143 661880825 /nfs/dbraw/zinc/88/08/25/661880825.db2.gz FBAOODKBDGFZDK-SECBINFHSA-N -2 3 384.763 2.533 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000569929012 564484805 /nfs/dbraw/zinc/48/48/05/564484805.db2.gz WTFCFSLLBKXRPS-SECBINFHSA-N -2 3 382.663 2.800 20 30 GFEDHL CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000462068983 564814845 /nfs/dbraw/zinc/81/48/45/564814845.db2.gz DUZCGJYKEURTGY-HNNXBMFYSA-N -2 3 379.463 2.531 20 30 GFEDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000737301470 598930156 /nfs/dbraw/zinc/93/01/56/598930156.db2.gz OXYCDFHCQDNWIV-UHFFFAOYSA-N -2 3 398.448 2.635 20 30 GFEDHL O=C([O-])c1cccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000814741626 598201065 /nfs/dbraw/zinc/20/10/65/598201065.db2.gz IPQWSXXXKKCEPK-OAHLLOKOSA-N -2 3 382.401 2.660 20 30 GFEDHL CC[C@@](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)(C(=O)[O-])c1ccccc1 ZINC000736908709 600132081 /nfs/dbraw/zinc/13/20/81/600132081.db2.gz ZLLGTDQBJWNORI-NRFANRHFSA-N -2 3 381.432 2.715 20 30 GFEDHL COc1cc(C(=O)[O-])cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1OC ZINC000737852938 600875814 /nfs/dbraw/zinc/87/58/14/600875814.db2.gz ZUUGAIRJAPZQIV-UHFFFAOYSA-N -2 3 399.403 2.562 20 30 GFEDHL CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833473320 604539863 /nfs/dbraw/zinc/53/98/63/604539863.db2.gz BBCIGJVTSVQEGQ-MRVPVSSYSA-N -2 3 393.234 2.503 20 30 GFEDHL COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1C(=O)[O-] ZINC000435145624 605009578 /nfs/dbraw/zinc/00/95/78/605009578.db2.gz SAQXTWNMEJFNTG-UHFFFAOYSA-N -2 3 390.417 2.853 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1Cl ZINC000826386114 608107865 /nfs/dbraw/zinc/10/78/65/608107865.db2.gz PMHLJBGPQVYKIJ-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1Cl ZINC000826386114 608107866 /nfs/dbraw/zinc/10/78/66/608107866.db2.gz PMHLJBGPQVYKIJ-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000596034449 677674231 /nfs/dbraw/zinc/67/42/31/677674231.db2.gz FYGMDKITKVMRMP-SECBINFHSA-N -2 3 384.763 2.533 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000548562425 564560726 /nfs/dbraw/zinc/56/07/26/564560726.db2.gz SCQBUOAPDZKYPN-CQSZACIVSA-N -2 3 399.255 2.839 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000548592037 564565780 /nfs/dbraw/zinc/56/57/80/564565780.db2.gz LAVZOCFYFLYDIQ-CQSZACIVSA-N -2 3 385.228 2.969 20 30 GFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000594673541 565405025 /nfs/dbraw/zinc/40/50/25/565405025.db2.gz ODGLJJXLQWRIAK-SNVBAGLBSA-N -2 3 392.380 2.765 20 30 GFEDHL C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000657037183 566210850 /nfs/dbraw/zinc/21/08/50/566210850.db2.gz WNNDBNSKONYQJB-SWLSCSKDSA-N -2 3 390.502 2.610 20 30 GFEDHL COc1ccc(C=C2CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1-c1nnn[n-]1 ZINC000737083145 599155727 /nfs/dbraw/zinc/15/57/27/599155727.db2.gz NNUJVODMIWUKEW-XFFZJAGNSA-N -2 3 380.360 2.687 20 30 GFEDHL COc1ccc(C=C2CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1-c1nn[n-]n1 ZINC000737083145 599155729 /nfs/dbraw/zinc/15/57/29/599155729.db2.gz NNUJVODMIWUKEW-XFFZJAGNSA-N -2 3 380.360 2.687 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000832843711 601748777 /nfs/dbraw/zinc/74/87/77/601748777.db2.gz ZPDXUSCRTGLSNT-UHFFFAOYSA-N -2 3 388.449 2.711 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2ccccc2n1 ZINC000823387834 606303606 /nfs/dbraw/zinc/30/36/06/606303606.db2.gz ZRYXCGNKMRXODH-JYRVWZFOSA-N -2 3 377.385 2.671 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2ccccc2n1 ZINC000823387834 606303608 /nfs/dbraw/zinc/30/36/08/606303608.db2.gz ZRYXCGNKMRXODH-JYRVWZFOSA-N -2 3 377.385 2.671 20 30 GFEDHL C=C(C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000806565138 659835939 /nfs/dbraw/zinc/83/59/39/659835939.db2.gz IAQVYJXVYKYUSY-UHFFFAOYSA-N -2 3 386.223 2.732 20 30 GFEDHL N#CCc1ccc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000570048923 564489685 /nfs/dbraw/zinc/48/96/85/564489685.db2.gz DVRDEVXZEVKVDK-JTQLQIEISA-N -2 3 398.790 2.728 20 30 GFEDHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC000584128824 564922316 /nfs/dbraw/zinc/92/23/16/564922316.db2.gz GVFOLCIJBVSOJH-ZETCQYMHSA-N -2 3 397.268 2.776 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000614337008 565108552 /nfs/dbraw/zinc/10/85/52/565108552.db2.gz CPWFGUGWOGEFKC-CQSZACIVSA-N -2 3 386.763 2.594 20 30 GFEDHL COc1ccc([C@H](CCC(=O)[O-])[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593259677 565322725 /nfs/dbraw/zinc/32/27/25/565322725.db2.gz JDRPBMJVFKXJJO-ZDUSSCGKSA-N -2 3 380.447 2.513 20 30 GFEDHL N#Cc1cc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)ccc1Cl ZINC000596036902 565506757 /nfs/dbraw/zinc/50/67/57/565506757.db2.gz UCAMJZFWVKNAJB-SECBINFHSA-N -2 3 384.763 2.533 20 30 GFEDHL Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(Br)c(F)cc2[O-])o1 ZINC000823961933 607530409 /nfs/dbraw/zinc/53/04/09/607530409.db2.gz CGCVEBWXNISKFQ-UHFFFAOYSA-N -2 3 396.180 2.606 20 30 GFEDHL Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(Br)c(F)cc2[O-])o1 ZINC000823961933 607530411 /nfs/dbraw/zinc/53/04/11/607530411.db2.gz CGCVEBWXNISKFQ-UHFFFAOYSA-N -2 3 396.180 2.606 20 30 GFEDHL COc1cc(-c2nnn[n-]2)ccc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000826173990 608325320 /nfs/dbraw/zinc/32/53/20/608325320.db2.gz DKZLXDRRENPFDB-UHFFFAOYSA-N -2 3 381.440 2.579 20 30 GFEDHL COc1cc(-c2nn[n-]n2)ccc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000826173990 608325322 /nfs/dbraw/zinc/32/53/22/608325322.db2.gz DKZLXDRRENPFDB-UHFFFAOYSA-N -2 3 381.440 2.579 20 30 GFEDHL [O-]c1c(O)cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1Br ZINC000757559372 655913218 /nfs/dbraw/zinc/91/32/18/655913218.db2.gz BXEWGKSWVAMUQO-UHFFFAOYSA-N -2 3 383.149 2.642 20 30 GFEDHL C=CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000797429544 659020504 /nfs/dbraw/zinc/02/05/04/659020504.db2.gz WDKGVCAXRMQTKE-JTQLQIEISA-N -2 3 382.663 2.800 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000326331090 563455056 /nfs/dbraw/zinc/45/50/56/563455056.db2.gz ROSZAUBCSNCIIM-VIFPVBQESA-N -2 3 384.763 2.533 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)c(Cl)c1 ZINC000548240995 564541443 /nfs/dbraw/zinc/54/14/43/564541443.db2.gz JXLKABYGVDFHHN-CQSZACIVSA-N -2 3 382.800 2.845 20 30 GFEDHL Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000594673540 565405257 /nfs/dbraw/zinc/40/52/57/565405257.db2.gz ODGLJJXLQWRIAK-JTQLQIEISA-N -2 3 392.380 2.765 20 30 GFEDHL O=[N+]([O-])c1cc(Cl)cc(C=NCc2cc(-c3nnn[n-]3)ccc2F)c1[O-] ZINC000823635474 599231866 /nfs/dbraw/zinc/23/18/66/599231866.db2.gz XNHCZHJFPGFTRO-CNHKJKLMSA-N -2 3 376.735 2.892 20 30 GFEDHL O=[N+]([O-])c1cc(Cl)cc(C=NCc2cc(-c3nn[n-]n3)ccc2F)c1[O-] ZINC000823635474 599231868 /nfs/dbraw/zinc/23/18/68/599231868.db2.gz XNHCZHJFPGFTRO-CNHKJKLMSA-N -2 3 376.735 2.892 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000740028581 603315797 /nfs/dbraw/zinc/31/57/97/603315797.db2.gz UIBUWOBERXQOJD-CZUORRHYSA-N -2 3 375.425 2.578 20 30 GFEDHL C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000775383861 656635517 /nfs/dbraw/zinc/63/55/17/656635517.db2.gz NHUAKPTYJBJJBM-NSHDSACASA-N -2 3 378.837 2.598 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c(Cl)c1 ZINC000486501106 564654766 /nfs/dbraw/zinc/65/47/66/564654766.db2.gz RYYISLOIDFSJOQ-UHFFFAOYSA-N -2 3 384.772 2.615 20 30 GFEDHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000574420796 564673747 /nfs/dbraw/zinc/67/37/47/564673747.db2.gz FLSAVPWYTRCYOK-ZCFIWIBFSA-N -2 3 397.268 2.776 20 30 GFEDHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000460835377 564782225 /nfs/dbraw/zinc/78/22/25/564782225.db2.gz KKUPIOTXAPTRBG-UHFFFAOYSA-N -2 3 399.881 2.692 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)c(Cl)c1 ZINC000614337441 565107827 /nfs/dbraw/zinc/10/78/27/565107827.db2.gz PCWXUKSSWKYCFB-AWEZNQCLSA-N -2 3 386.763 2.594 20 30 GFEDHL O=C([O-])CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000823387009 599114014 /nfs/dbraw/zinc/11/40/14/599114014.db2.gz BAANENBDQDQEFF-RVDMUPIBSA-N -2 3 390.399 2.933 20 30 GFEDHL O=C([O-])CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000823387009 599114016 /nfs/dbraw/zinc/11/40/16/599114016.db2.gz BAANENBDQDQEFF-RVDMUPIBSA-N -2 3 390.399 2.933 20 30 GFEDHL Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cc(-c2nnn[n-]2)cs1 ZINC000822010169 606460428 /nfs/dbraw/zinc/46/04/28/606460428.db2.gz QMUWHGIJSAHYDU-LBPRGKRZSA-N -2 3 376.401 2.923 20 30 GFEDHL Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cc(-c2nn[n-]n2)cs1 ZINC000822010169 606460430 /nfs/dbraw/zinc/46/04/30/606460430.db2.gz QMUWHGIJSAHYDU-LBPRGKRZSA-N -2 3 376.401 2.923 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1Cl ZINC000826386176 609338976 /nfs/dbraw/zinc/33/89/76/609338976.db2.gz SIOLUTJDTHRAKJ-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1Cl ZINC000826386176 609338978 /nfs/dbraw/zinc/33/89/78/609338978.db2.gz SIOLUTJDTHRAKJ-UHFFFAOYSA-N -2 3 395.231 2.846 20 30 GFEDHL O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000768366090 656237885 /nfs/dbraw/zinc/23/78/85/656237885.db2.gz ZEUDWMDMVGNWPG-UHFFFAOYSA-N -2 3 387.776 2.546 20 30 GFEDHL CCCCCCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000792562512 658300917 /nfs/dbraw/zinc/30/09/17/658300917.db2.gz LQJVPXUIBYPHSP-LBPRGKRZSA-N -2 3 379.910 2.864 20 30 GFEDHL CC(C)(CCC#N)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000806566565 659836020 /nfs/dbraw/zinc/83/60/20/659836020.db2.gz KORVKJYFIWWKBX-UHFFFAOYSA-N -2 3 395.300 2.817 20 30 GFEDHL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000153971814 551464179 /nfs/dbraw/zinc/46/41/79/551464179.db2.gz WVAWYRJVPUNCTJ-UHFFFAOYSA-N -2 3 399.197 2.959 20 30 GFEDHL N#Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000318662574 563443711 /nfs/dbraw/zinc/44/37/11/563443711.db2.gz CFAGHGFWWSUKPP-UHFFFAOYSA-N -2 3 381.207 2.820 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000619546584 565348114 /nfs/dbraw/zinc/34/81/14/565348114.db2.gz ZEBBZQFPELKMQK-NSHDSACASA-N -2 3 384.866 2.810 20 30 GFEDHL C=CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCCC)C(=O)[O-] ZINC000656509220 566128915 /nfs/dbraw/zinc/12/89/15/566128915.db2.gz ORCRRFFWERDFTK-LLVKDONJSA-N -2 3 392.271 2.546 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832843424 601297282 /nfs/dbraw/zinc/29/72/82/601297282.db2.gz WSKKGVZPNYJLOE-ORAYPTAESA-N -2 3 381.432 2.787 20 30 GFEDHL CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1cc(F)cc(F)c1[O-] ZINC000819783455 606856198 /nfs/dbraw/zinc/85/61/98/606856198.db2.gz XTVCUPIEBUNTKD-UHFFFAOYSA-N -2 3 377.355 2.972 20 30 GFEDHL CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cc(F)cc(F)c1[O-] ZINC000819783455 606856199 /nfs/dbraw/zinc/85/61/99/606856199.db2.gz XTVCUPIEBUNTKD-UHFFFAOYSA-N -2 3 377.355 2.972 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc([O-])c(Br)c2)c(F)c1 ZINC000127251242 551338956 /nfs/dbraw/zinc/33/89/56/551338956.db2.gz BUKWTKXFQNEFTA-UHFFFAOYSA-N -2 3 385.214 2.644 20 30 GFEDHL COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000821712467 599113515 /nfs/dbraw/zinc/11/35/15/599113515.db2.gz ITFSPEXFHBJVTD-SDQBBNPISA-N -2 3 393.359 2.702 20 30 GFEDHL COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000821712467 599113517 /nfs/dbraw/zinc/11/35/17/599113517.db2.gz ITFSPEXFHBJVTD-SDQBBNPISA-N -2 3 393.359 2.702 20 30 GFEDHL O=[N+]([O-])c1cc(Cl)cc(C=NCc2ccc(-c3nnn[n-]3)cc2F)c1[O-] ZINC000738358925 598296988 /nfs/dbraw/zinc/29/69/88/598296988.db2.gz FKLBTRCXVXPETE-CNHKJKLMSA-N -2 3 376.735 2.892 20 30 GFEDHL O=[N+]([O-])c1cc(Cl)cc(C=NCc2ccc(-c3nn[n-]n3)cc2F)c1[O-] ZINC000738358925 598296989 /nfs/dbraw/zinc/29/69/89/598296989.db2.gz FKLBTRCXVXPETE-CNHKJKLMSA-N -2 3 376.735 2.892 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738229130 600286384 /nfs/dbraw/zinc/28/63/84/600286384.db2.gz HPCIGOAMFUBUIS-UHFFFAOYSA-N -2 3 382.420 2.957 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000738228829 600939242 /nfs/dbraw/zinc/93/92/42/600939242.db2.gz BYJJICXOEMCIOI-UHFFFAOYSA-N -2 3 385.395 2.855 20 30 GFEDHL C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451490259 564318743 /nfs/dbraw/zinc/31/87/43/564318743.db2.gz LNBRZQKRUCMNNR-LBPRGKRZSA-N -2 3 378.491 2.610 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(F)cccc2F)c(Cl)c1 ZINC000547932586 564522909 /nfs/dbraw/zinc/52/29/09/564522909.db2.gz IUAPJXSJUWCCQO-CQSZACIVSA-N -2 3 386.763 2.594 20 30 GFEDHL Cc1cccc(C[C@H](CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(=O)[O-])c1 ZINC000738701815 600071742 /nfs/dbraw/zinc/07/17/42/600071742.db2.gz GHNAWAAUDNNSJJ-QGZVFWFLSA-N -2 3 395.459 2.576 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000740028579 603315424 /nfs/dbraw/zinc/31/54/24/603315424.db2.gz UIBUWOBERXQOJD-BBRMVZONSA-N -2 3 375.425 2.578 20 30 GFEDHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1C#N ZINC000827058276 605009724 /nfs/dbraw/zinc/00/97/24/605009724.db2.gz ABZSAKHNOLTWPI-UHFFFAOYSA-N -2 3 376.390 2.550 20 30 GFEDHL COc1ccc(-c2nn[n-]n2)cc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000826185136 608154119 /nfs/dbraw/zinc/15/41/19/608154119.db2.gz ZYOKOTIMIBLBDU-UHFFFAOYSA-N -2 3 381.440 2.579 20 30 GFEDHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000547895033 564517676 /nfs/dbraw/zinc/51/76/76/564517676.db2.gz PWHWXFCZTOFMDE-SNVBAGLBSA-N -2 3 378.372 2.889 20 30 GFEDHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000548591109 564564605 /nfs/dbraw/zinc/56/46/05/564564605.db2.gz DBICRAYBUBFALU-LBPRGKRZSA-N -2 3 378.372 2.745 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000556714715 564836253 /nfs/dbraw/zinc/83/62/53/564836253.db2.gz OSXJOFCJLWGQRX-SECBINFHSA-N -2 3 382.663 2.800 20 30 GFEDHL CCCCCCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736448587 598974228 /nfs/dbraw/zinc/97/42/28/598974228.db2.gz NNYQPCYKRPEOEK-UHFFFAOYSA-N -2 3 379.486 2.731 20 30 GFEDHL CCCCCCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736448587 598974229 /nfs/dbraw/zinc/97/42/29/598974229.db2.gz NNYQPCYKRPEOEK-UHFFFAOYSA-N -2 3 379.486 2.731 20 30 GFEDHL O=C([O-])COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000823387307 599112735 /nfs/dbraw/zinc/11/27/35/599112735.db2.gz IDOPMGZETUBEDN-ZROIWOOFSA-N -2 3 376.372 2.543 20 30 GFEDHL O=C([O-])COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000823387307 599112738 /nfs/dbraw/zinc/11/27/38/599112738.db2.gz IDOPMGZETUBEDN-ZROIWOOFSA-N -2 3 376.372 2.543 20 30 GFEDHL C[C@H](Oc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1)C(=O)[O-] ZINC000820536415 599112823 /nfs/dbraw/zinc/11/28/23/599112823.db2.gz SVIRALAOWZFXAZ-DGGAMASNSA-N -2 3 390.399 2.931 20 30 GFEDHL C[C@H](Oc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1)C(=O)[O-] ZINC000820536415 599112825 /nfs/dbraw/zinc/11/28/25/599112825.db2.gz SVIRALAOWZFXAZ-DGGAMASNSA-N -2 3 390.399 2.931 20 30 GFEDHL COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(OC)c1C(=O)[O-] ZINC000833734469 604861987 /nfs/dbraw/zinc/86/19/87/604861987.db2.gz GKSCGIGOQNRLDF-UHFFFAOYSA-N -2 3 396.808 2.728 20 30 GFEDHL COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC000826178790 609471184 /nfs/dbraw/zinc/47/11/84/609471184.db2.gz MRNQIUUPWRMMME-UHFFFAOYSA-N -2 3 389.759 2.589 20 30 GFEDHL COc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC000826178790 609471185 /nfs/dbraw/zinc/47/11/85/609471185.db2.gz MRNQIUUPWRMMME-UHFFFAOYSA-N -2 3 389.759 2.589 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000569929013 564484833 /nfs/dbraw/zinc/48/48/33/564484833.db2.gz WTFCFSLLBKXRPS-VIFPVBQESA-N -2 3 382.663 2.800 20 30 GFEDHL N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000547912653 564520633 /nfs/dbraw/zinc/52/06/33/564520633.db2.gz FQIVPFVFBPBYMF-UHFFFAOYSA-N -2 3 399.197 2.959 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000629305331 565840330 /nfs/dbraw/zinc/84/03/30/565840330.db2.gz ZIAKPOIURMBWJH-SECBINFHSA-N -2 3 380.235 2.594 20 30 GFEDHL CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736447134 598416521 /nfs/dbraw/zinc/41/65/21/598416521.db2.gz QYAQWDVNOSUZPW-UHFFFAOYSA-N -2 3 385.877 2.686 20 30 GFEDHL CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736447134 598416522 /nfs/dbraw/zinc/41/65/22/598416522.db2.gz QYAQWDVNOSUZPW-UHFFFAOYSA-N -2 3 385.877 2.686 20 30 GFEDHL Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c1-c1nnn[n-]1 ZINC000826304061 607535282 /nfs/dbraw/zinc/53/52/82/607535282.db2.gz UPELSGFCFUJBAI-UHFFFAOYSA-N -2 3 398.448 2.635 20 30 GFEDHL Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c1-c1nn[n-]n1 ZINC000826304061 607535284 /nfs/dbraw/zinc/53/52/84/607535284.db2.gz UPELSGFCFUJBAI-UHFFFAOYSA-N -2 3 398.448 2.635 20 30 GFEDHL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000316205249 563441743 /nfs/dbraw/zinc/44/17/43/563441743.db2.gz MXXPMSRMHJIUFU-UHFFFAOYSA-N -2 3 381.207 2.820 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)c(Cl)c1 ZINC000547936397 564523724 /nfs/dbraw/zinc/52/37/24/564523724.db2.gz KMJZRKSAGGOGBL-CQSZACIVSA-N -2 3 385.228 2.969 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)c(C(F)(F)F)c1 ZINC000548261004 564544531 /nfs/dbraw/zinc/54/45/31/564544531.db2.gz ZVFZIZIEFVHYIY-UHFFFAOYSA-N -2 3 376.356 2.500 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000581116169 564788730 /nfs/dbraw/zinc/78/87/30/564788730.db2.gz HDEJJSUUQBJFIJ-MRVPVSSYSA-N -2 3 382.663 2.800 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)c(Cl)c1 ZINC000614337442 565108344 /nfs/dbraw/zinc/10/83/44/565108344.db2.gz PCWXUKSSWKYCFB-CQSZACIVSA-N -2 3 386.763 2.594 20 30 GFEDHL CSc1nc(C2CC2)cc(C(=O)Nc2cc(C#N)ccc2[O-])c1-c1nnn[n-]1 ZINC000826231528 607998669 /nfs/dbraw/zinc/99/86/69/607998669.db2.gz OZOKCQGZJADJGE-UHFFFAOYSA-N -2 3 393.432 2.691 20 30 GFEDHL CSc1nc(C2CC2)cc(C(=O)Nc2cc(C#N)ccc2[O-])c1-c1nn[n-]n1 ZINC000826231528 607998670 /nfs/dbraw/zinc/99/86/70/607998670.db2.gz OZOKCQGZJADJGE-UHFFFAOYSA-N -2 3 393.432 2.691 20 30 GFEDHL C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808113564 659877470 /nfs/dbraw/zinc/87/74/70/659877470.db2.gz CVWFHVGYOVTOHK-UHFFFAOYSA-N -2 3 384.816 2.901 20 30 GFEDHL CCCSC[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(=O)[O-] ZINC000594673809 565405408 /nfs/dbraw/zinc/40/54/08/565405408.db2.gz XTZUCZROGBRBED-CYBMUJFWSA-N -2 3 398.531 2.956 20 30 GFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1)C(=O)[O-] ZINC000824738757 608879530 /nfs/dbraw/zinc/87/95/30/608879530.db2.gz RBXITPWRFMYOGJ-BPOWMSRESA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@@H](Oc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1)C(=O)[O-] ZINC000824738757 608879532 /nfs/dbraw/zinc/87/95/32/608879532.db2.gz RBXITPWRFMYOGJ-BPOWMSRESA-N -2 3 382.351 2.754 20 30 GFEDHL COc1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)c(Br)c1[O-] ZINC000761015270 655996358 /nfs/dbraw/zinc/99/63/58/655996358.db2.gz KWGSOSSMEHTDMJ-UHFFFAOYSA-N -2 3 397.176 2.945 20 30 GFEDHL C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000797816780 659053464 /nfs/dbraw/zinc/05/34/64/659053464.db2.gz VICNFKXTTLUPEW-XPTSAGLGSA-N -2 3 394.276 2.951 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000328110674 563461086 /nfs/dbraw/zinc/46/10/86/563461086.db2.gz ULERKSDJMNXDHZ-HNNXBMFYSA-N -2 3 378.837 2.576 20 30 GFEDHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000570535271 564510905 /nfs/dbraw/zinc/51/09/05/564510905.db2.gz YXVXHILURRGWJS-ZCFIWIBFSA-N -2 3 397.268 2.776 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccc1F ZINC000548244500 564542267 /nfs/dbraw/zinc/54/22/67/564542267.db2.gz OHQGWZLEDBWGJG-CQSZACIVSA-N -2 3 382.800 2.845 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000556889913 564844605 /nfs/dbraw/zinc/84/46/05/564844605.db2.gz STCLJZLIJSIXAQ-SECBINFHSA-N -2 3 380.235 2.594 20 30 GFEDHL C[C@@H](Oc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1)C(=O)[O-] ZINC000820536413 599112174 /nfs/dbraw/zinc/11/21/74/599112174.db2.gz SVIRALAOWZFXAZ-CDCQXCROSA-N -2 3 390.399 2.931 20 30 GFEDHL C[C@@H](Oc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1)C(=O)[O-] ZINC000820536413 599112175 /nfs/dbraw/zinc/11/21/75/599112175.db2.gz SVIRALAOWZFXAZ-CDCQXCROSA-N -2 3 390.399 2.931 20 30 GFEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)ccc1F ZINC000736105741 600372510 /nfs/dbraw/zinc/37/25/10/600372510.db2.gz HOQICYUCPIHKME-UHFFFAOYSA-N -2 3 398.437 2.610 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000832843165 601873850 /nfs/dbraw/zinc/87/38/50/601873850.db2.gz SJJOSTLXRUEIDF-UHFFFAOYSA-N -2 3 386.429 2.991 20 30 GFEDHL Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cc(-c2nnn[n-]2)cs1 ZINC000822010168 606460273 /nfs/dbraw/zinc/46/02/73/606460273.db2.gz QMUWHGIJSAHYDU-GFCCVEGCSA-N -2 3 376.401 2.923 20 30 GFEDHL Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cc(-c2nn[n-]n2)cs1 ZINC000822010168 606460275 /nfs/dbraw/zinc/46/02/75/606460275.db2.gz QMUWHGIJSAHYDU-GFCCVEGCSA-N -2 3 376.401 2.923 20 30 GFEDHL C[C@H](Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1)C(=O)[O-] ZINC000824739672 609273617 /nfs/dbraw/zinc/27/36/17/609273617.db2.gz ZBXQZQSOFOOHAR-OFSNVTPPSA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@H](Oc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1)C(=O)[O-] ZINC000824739672 609273618 /nfs/dbraw/zinc/27/36/18/609273618.db2.gz ZBXQZQSOFOOHAR-OFSNVTPPSA-N -2 3 382.351 2.754 20 30 GFEDHL C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000819158037 660248343 /nfs/dbraw/zinc/24/83/43/660248343.db2.gz CXQVAUBPIBOGDD-KWQFWETISA-N -2 3 380.249 2.561 20 30 GFEDHL CSc1[n-]c(=O)c(C(=O)Nc2cc(Br)ccc2[O-])cc1C#N ZINC000126586097 551331464 /nfs/dbraw/zinc/33/14/64/551331464.db2.gz JOJTZBADSLQIBG-UHFFFAOYSA-N -2 3 380.223 2.689 20 30 GFEDHL COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc(Br)c1[O-] ZINC000436968976 563686742 /nfs/dbraw/zinc/68/67/42/563686742.db2.gz WUFLGMSAKGTHIM-YWEYNIOJSA-N -2 3 376.210 2.987 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000486530826 564655888 /nfs/dbraw/zinc/65/58/88/564655888.db2.gz AJXZTOIRMPKWRX-UHFFFAOYSA-N -2 3 381.753 2.619 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000614337006 565108573 /nfs/dbraw/zinc/10/85/73/565108573.db2.gz CICCDMCUPHIUGD-CQSZACIVSA-N -2 3 386.763 2.594 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F ZINC000596036984 565507069 /nfs/dbraw/zinc/50/70/69/565507069.db2.gz VQFYSZFBYNEZHU-QMMMGPOBSA-N -2 3 384.763 2.533 20 30 GFEDHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccc(C#N)c1 ZINC000827756138 602161125 /nfs/dbraw/zinc/16/11/25/602161125.db2.gz WGNQNWIHESOXOP-MRVPVSSYSA-N -2 3 399.222 2.651 20 30 GFEDHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1C#N ZINC000435143489 605009548 /nfs/dbraw/zinc/00/95/48/605009548.db2.gz RBPPWDIVTPCUOO-UHFFFAOYSA-N -2 3 390.417 2.610 20 30 GFEDHL C#CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC000767741007 656218340 /nfs/dbraw/zinc/21/83/40/656218340.db2.gz YKVJVMWTBIZXAQ-UHFFFAOYSA-N -2 3 383.784 2.990 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000581116171 564788381 /nfs/dbraw/zinc/78/83/81/564788381.db2.gz HDEJJSUUQBJFIJ-QMMMGPOBSA-N -2 3 382.663 2.800 20 30 GFEDHL N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000547909701 564519946 /nfs/dbraw/zinc/51/99/46/564519946.db2.gz OZMGGARWNMECKW-CQSZACIVSA-N -2 3 382.800 2.845 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000548266747 564545655 /nfs/dbraw/zinc/54/56/55/564545655.db2.gz FABQHAZHZKAFMJ-CQSZACIVSA-N -2 3 378.837 2.748 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000548569652 564562229 /nfs/dbraw/zinc/56/22/29/564562229.db2.gz MOPYTWFDGYCJRH-CQSZACIVSA-N -2 3 382.800 2.845 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000556714716 564836719 /nfs/dbraw/zinc/83/67/19/564836719.db2.gz OSXJOFCJLWGQRX-VIFPVBQESA-N -2 3 382.663 2.800 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)c1 ZINC000596035308 565507009 /nfs/dbraw/zinc/50/70/09/565507009.db2.gz MCAAKGAODDYVBP-SECBINFHSA-N -2 3 384.763 2.533 20 30 GFEDHL C=CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCCC)C(=O)[O-] ZINC000656509221 566129395 /nfs/dbraw/zinc/12/93/95/566129395.db2.gz ORCRRFFWERDFTK-NSHDSACASA-N -2 3 392.271 2.546 20 30 GFEDHL CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833473321 604539821 /nfs/dbraw/zinc/53/98/21/604539821.db2.gz BBCIGJVTSVQEGQ-QMMMGPOBSA-N -2 3 393.234 2.503 20 30 GFEDHL C[N-]S(=O)(=O)c1cc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1F ZINC000794681064 658595704 /nfs/dbraw/zinc/59/57/04/658595704.db2.gz REYKIETWSOYSKW-UHFFFAOYSA-N -2 3 387.776 2.752 20 30 GFEDHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-] ZINC000424395713 563378235 /nfs/dbraw/zinc/37/82/35/563378235.db2.gz VZDQBCRTWRJZJO-UHFFFAOYSA-N -2 3 378.372 2.746 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000326331089 563455140 /nfs/dbraw/zinc/45/51/40/563455140.db2.gz ROSZAUBCSNCIIM-SECBINFHSA-N -2 3 384.763 2.533 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCc1ccccc1)C(=O)[O-] ZINC000548355498 564549182 /nfs/dbraw/zinc/54/91/82/564549182.db2.gz GHZDBKCFTONWRS-HNNXBMFYSA-N -2 3 378.837 2.576 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000582471196 564848698 /nfs/dbraw/zinc/84/86/98/564848698.db2.gz HQSYUJZTQRQBMO-MRVPVSSYSA-N -2 3 382.663 2.800 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000614336992 565107688 /nfs/dbraw/zinc/10/76/88/565107688.db2.gz BICVCTNLXUEAQF-CQSZACIVSA-N -2 3 386.763 2.594 20 30 GFEDHL O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000739573487 600473406 /nfs/dbraw/zinc/47/34/06/600473406.db2.gz DYAXMQNPQXKCCL-HNNXBMFYSA-N -2 3 384.388 2.633 20 30 GFEDHL C[C@@H](Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1)C(=O)[O-] ZINC000824739674 609273399 /nfs/dbraw/zinc/27/33/99/609273399.db2.gz ZBXQZQSOFOOHAR-UIJKISKDSA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@@H](Oc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1)C(=O)[O-] ZINC000824739674 609273400 /nfs/dbraw/zinc/27/34/00/609273400.db2.gz ZBXQZQSOFOOHAR-UIJKISKDSA-N -2 3 382.351 2.754 20 30 GFEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000574161960 655425858 /nfs/dbraw/zinc/42/58/58/655425858.db2.gz NNVPBZUXXHGVIS-MRVPVSSYSA-N -2 3 382.663 2.800 20 30 GFEDHL N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000840891576 661199969 /nfs/dbraw/zinc/19/99/69/661199969.db2.gz YDYCVTPIEFOBQZ-YUMQZZPRSA-N -2 3 393.284 2.569 20 30 GFEDHL COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc(Br)c1[O-] ZINC000193614035 552998458 /nfs/dbraw/zinc/99/84/58/552998458.db2.gz WUFLGMSAKGTHIM-XBXARRHUSA-N -2 3 376.210 2.987 20 30 GFEDHL N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000547894553 564517479 /nfs/dbraw/zinc/51/74/79/564517479.db2.gz AJROYMKCNLUDPP-UHFFFAOYSA-N -2 3 399.197 2.959 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CCc1ccccc1)C(=O)[O-] ZINC000548682597 564570091 /nfs/dbraw/zinc/57/00/91/564570091.db2.gz UYDOUQJIDJCGPC-HNNXBMFYSA-N -2 3 378.837 2.576 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000582047383 564828749 /nfs/dbraw/zinc/82/87/49/564828749.db2.gz YQJSGAWFEPNZTL-VIFPVBQESA-N -2 3 382.663 2.800 20 30 GFEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000556889914 564845211 /nfs/dbraw/zinc/84/52/11/564845211.db2.gz STCLJZLIJSIXAQ-VIFPVBQESA-N -2 3 380.235 2.594 20 30 GFEDHL N#Cc1sccc1S(=O)(=O)[N-]CCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000593270550 565323116 /nfs/dbraw/zinc/32/31/16/565323116.db2.gz YSXMSOWQBWDFOX-CQSZACIVSA-N -2 3 378.475 2.622 20 30 GFEDHL N#Cc1cc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)ccc1Cl ZINC000596036903 565506703 /nfs/dbraw/zinc/50/67/03/565506703.db2.gz UCAMJZFWVKNAJB-VIFPVBQESA-N -2 3 384.763 2.533 20 30 GFEDHL COc1ccc(CN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1-c1nnn[n-]1 ZINC000826195765 607527681 /nfs/dbraw/zinc/52/76/81/607527681.db2.gz FBXOPEZOPWYCHF-LSCVHKIXSA-N -2 3 388.771 2.762 20 30 GFEDHL COc1ccc(CN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1-c1nn[n-]n1 ZINC000826195765 607527683 /nfs/dbraw/zinc/52/76/83/607527683.db2.gz FBXOPEZOPWYCHF-LSCVHKIXSA-N -2 3 388.771 2.762 20 30 GFEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822832780 606339602 /nfs/dbraw/zinc/33/96/02/606339602.db2.gz GJYVHNKALSNZOP-UHFFFAOYSA-N -2 3 394.338 2.558 20 30 GFEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(=O)[O-])c1 ZINC000328214141 563460985 /nfs/dbraw/zinc/46/09/85/563460985.db2.gz STZALFZLXOKNBI-HNNXBMFYSA-N -2 3 378.837 2.576 20 30 GFEDHL CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436599183 563674947 /nfs/dbraw/zinc/67/49/47/563674947.db2.gz CUSBJLGKLZJOKX-UHFFFAOYSA-N -2 3 378.837 2.600 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-]CCC[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000570029470 564488606 /nfs/dbraw/zinc/48/86/06/564488606.db2.gz UCWVXSPNOOJIHY-CQSZACIVSA-N -2 3 378.475 2.622 20 30 GFEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2F)c(Cl)c1 ZINC000548240994 564541484 /nfs/dbraw/zinc/54/14/84/564541484.db2.gz JXLKABYGVDFHHN-AWEZNQCLSA-N -2 3 382.800 2.845 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1Cl ZINC000530530923 564886690 /nfs/dbraw/zinc/88/66/90/564886690.db2.gz UNYSJXJIEUITIC-CQSZACIVSA-N -2 3 385.228 2.969 20 30 GFEDHL COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1CC(=O)[O-] ZINC000821770071 607457543 /nfs/dbraw/zinc/45/75/43/607457543.db2.gz OLGJBSASOHWXMF-GQCTYLIASA-N -2 3 382.351 2.538 20 30 GFEDHL COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1CC(=O)[O-] ZINC000821770071 607457546 /nfs/dbraw/zinc/45/75/46/607457546.db2.gz OLGJBSASOHWXMF-GQCTYLIASA-N -2 3 382.351 2.538 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@]1(CNC(=O)[O-])CCCC[C@@H]1C ZINC000740028067 602430459 /nfs/dbraw/zinc/43/04/59/602430459.db2.gz CMISFAFDAZWUIU-YUNKPMOVSA-N -2 3 388.468 2.541 20 30 GFEDHL N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F ZINC000853071144 661880806 /nfs/dbraw/zinc/88/08/06/661880806.db2.gz FBAOODKBDGFZDK-VIFPVBQESA-N -2 3 384.763 2.533 20 30 GFEDHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000284913385 563494776 /nfs/dbraw/zinc/49/47/76/563494776.db2.gz BJNQWMYVJZWSFV-VIFPVBQESA-N -2 3 384.763 2.533 20 30 GFEDHL Cc1ncc(CO)c(/C=N\[C@H](CC(=O)[O-])c2ccc(Br)cc2)c1[O-] ZINC000738371609 600494995 /nfs/dbraw/zinc/49/49/95/600494995.db2.gz UPQGNYFKAFHSAT-ADFHHPQOSA-N -2 3 393.237 2.985 20 30 GFEDHL O=C([O-])c1cc(C=NNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c[nH]1 ZINC000814829579 601797649 /nfs/dbraw/zinc/79/76/49/601797649.db2.gz ANRGGJQIQLMTPQ-UHFFFAOYSA-N -2 3 384.417 2.960 20 30 GFEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738229099 604251927 /nfs/dbraw/zinc/25/19/27/604251927.db2.gz FZCPKZZSBQMGNP-UHFFFAOYSA-N -2 3 382.420 2.657 20 30 GFEDHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000832231527 604855076 /nfs/dbraw/zinc/85/50/76/604855076.db2.gz UMRHQGRYPMWDOF-GOSISDBHSA-N -2 3 397.431 2.549 20 30 GFEDHL C[C@H](Oc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1)C(=O)[O-] ZINC000824739671 609273601 /nfs/dbraw/zinc/27/36/01/609273601.db2.gz ZBXQZQSOFOOHAR-BWNDKRECSA-N -2 3 382.351 2.754 20 30 GFEDHL C[C@H](Oc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1)C(=O)[O-] ZINC000824739671 609273602 /nfs/dbraw/zinc/27/36/02/609273602.db2.gz ZBXQZQSOFOOHAR-BWNDKRECSA-N -2 3 382.351 2.754 20 30 GFEDHL C=CCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000790589656 658000715 /nfs/dbraw/zinc/00/07/15/658000715.db2.gz MBLKVLTWARQTGA-VIFPVBQESA-N -2 3 382.663 2.800 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000556774013 564839315 /nfs/dbraw/zinc/83/93/15/564839315.db2.gz WSHAJLLAHGHKBT-QMMMGPOBSA-N -2 3 384.763 2.533 20 30 GFEDHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000614337007 565108092 /nfs/dbraw/zinc/10/80/92/565108092.db2.gz CPWFGUGWOGEFKC-AWEZNQCLSA-N -2 3 386.763 2.594 20 30 GFEDHL O=[N+]([O-])c1cc(Cl)cc(C=NCc2cc(-c3nnn[n-]3)ccc2F)c1[O-] ZINC000823635475 599232285 /nfs/dbraw/zinc/23/22/85/599232285.db2.gz XNHCZHJFPGFTRO-WSVATBPTSA-N -2 3 376.735 2.892 20 30 GFEDHL O=[N+]([O-])c1cc(Cl)cc(C=NCc2cc(-c3nn[n-]n3)ccc2F)c1[O-] ZINC000823635475 599232288 /nfs/dbraw/zinc/23/22/88/599232288.db2.gz XNHCZHJFPGFTRO-WSVATBPTSA-N -2 3 376.735 2.892 20 30 GFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819758742 599300537 /nfs/dbraw/zinc/30/05/37/599300537.db2.gz GPJVTMFMJABTLY-UHFFFAOYSA-N -2 3 391.840 2.886 20 30 GFEDHL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000819758742 599300539 /nfs/dbraw/zinc/30/05/39/599300539.db2.gz GPJVTMFMJABTLY-UHFFFAOYSA-N -2 3 391.840 2.886 20 30 GFEDHL N#Cc1ccsc1NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739142782 600144937 /nfs/dbraw/zinc/14/49/37/600144937.db2.gz QPSPFBURACBSQX-UHFFFAOYSA-N -2 3 379.825 2.504 20 30 GFEDHL O=C([O-])CS(=O)(=O)Cc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000833260423 601849562 /nfs/dbraw/zinc/84/95/62/601849562.db2.gz FMVPWFBXSKJCJG-DJKKODMXSA-N -2 3 381.837 2.664 20 30 GFEDHL C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)c1 ZINC000738492278 602653753 /nfs/dbraw/zinc/65/37/53/602653753.db2.gz SRJVUYKJXNVSGG-UHFFFAOYSA-N -2 3 393.396 2.632 20 30 GFEDHL O=C([O-])C(=O)C(=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2ccccc2n1 ZINC000823387596 606388332 /nfs/dbraw/zinc/38/83/32/606388332.db2.gz QANLNCPOLUZADZ-FMIVXFBMSA-N -2 3 377.385 2.671 20 30 GFEDHL