smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000029969767 564375649 /nfs/dbraw/zinc/37/56/49/564375649.db2.gz PAZGJCQQTNCSSD-VIFPVBQESA-N -1 3 388.804 3.435 10 5 GGBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC000032402253 564398268 /nfs/dbraw/zinc/39/82/68/564398268.db2.gz WLVDGGUXHWHNRS-UHFFFAOYSA-N -1 3 391.232 3.389 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000122443527 564413694 /nfs/dbraw/zinc/41/36/94/564413694.db2.gz BGCSAZJQQHDDHO-UONOGXRCSA-N -1 3 382.825 3.091 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)cc1[N+](=O)[O-] ZINC000124106311 564471135 /nfs/dbraw/zinc/47/11/35/564471135.db2.gz DUVMPORYWMACLU-UHFFFAOYSA-N -1 3 383.426 3.106 10 5 GGBEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000127172221 564576302 /nfs/dbraw/zinc/57/63/02/564576302.db2.gz SSWZTMADSOKADC-SNVBAGLBSA-N -1 3 386.499 3.264 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2Br)s1 ZINC000130738437 564690951 /nfs/dbraw/zinc/69/09/51/564690951.db2.gz BSHXLKJQNFSUCU-UHFFFAOYSA-N -1 3 399.194 3.498 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(OC(F)F)c1 ZINC000066000557 564753638 /nfs/dbraw/zinc/75/36/38/564753638.db2.gz SBZYWGFNWIAKFX-MRVPVSSYSA-N -1 3 378.378 3.297 10 5 GGBEHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000066000397 564754014 /nfs/dbraw/zinc/75/40/14/564754014.db2.gz UPMIORZITYEBGE-LBPRGKRZSA-N -1 3 389.524 3.079 10 5 GGBEHM COc1cc(C)c([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000066333451 564762606 /nfs/dbraw/zinc/76/26/06/564762606.db2.gz LLVHXWSXYYCXCE-JTQLQIEISA-N -1 3 386.451 3.021 10 5 GGBEHM Cc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000133114789 564763905 /nfs/dbraw/zinc/76/39/05/564763905.db2.gz XPZLXINRYJNJTA-ZJUUUORDSA-N -1 3 384.351 3.442 10 5 GGBEHM C[C@@H](NC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000068913632 564829128 /nfs/dbraw/zinc/82/91/28/564829128.db2.gz ZWMNOIHTPYKUQQ-GFCCVEGCSA-N -1 3 383.495 3.064 10 5 GGBEHM Cc1nc2ccc([N-]S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000089729913 564870463 /nfs/dbraw/zinc/87/04/63/564870463.db2.gz OHDBWMCSGHACAG-UHFFFAOYSA-N -1 3 377.447 3.497 10 5 GGBEHM O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000151523125 564924021 /nfs/dbraw/zinc/92/40/21/564924021.db2.gz KQOLIYOUYLSZDT-UHFFFAOYSA-N -1 3 390.193 3.474 10 5 GGBEHM CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cs1 ZINC000107703936 565002520 /nfs/dbraw/zinc/00/25/20/565002520.db2.gz QLBQRUBZZAPIDW-UHFFFAOYSA-N -1 3 375.859 3.054 10 5 GGBEHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183675607 565087670 /nfs/dbraw/zinc/08/76/70/565087670.db2.gz BOZRRIOBPMMEOK-VIFPVBQESA-N -1 3 387.845 3.071 10 5 GGBEHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000186236679 565248618 /nfs/dbraw/zinc/24/86/18/565248618.db2.gz LZBZUZXBDGBSNQ-VIFPVBQESA-N -1 3 388.804 3.435 10 5 GGBEHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180196549 566043145 /nfs/dbraw/zinc/04/31/45/566043145.db2.gz MVNOIJOCAWGBRH-VIFPVBQESA-N -1 3 387.845 3.243 10 5 GGBEHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C2CC2)n1 ZINC000416406371 566063781 /nfs/dbraw/zinc/06/37/81/566063781.db2.gz FLOMUEMIGTVKDG-HNNXBMFYSA-N -1 3 381.479 3.406 10 5 GGBEHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000599445794 566266318 /nfs/dbraw/zinc/26/63/18/566266318.db2.gz REPQDMBDPLRINS-UHFFFAOYSA-N -1 3 384.376 3.092 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)Sc1ccccc1 ZINC000462607624 566331597 /nfs/dbraw/zinc/33/15/97/566331597.db2.gz QURXERUZLFVYKU-LBPRGKRZSA-N -1 3 382.463 3.063 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000601393244 566404431 /nfs/dbraw/zinc/40/44/31/566404431.db2.gz DNMORMKQBPCSKX-KBPBESRZSA-N -1 3 382.463 3.163 10 5 GGBEHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000510694656 566405385 /nfs/dbraw/zinc/40/53/85/566405385.db2.gz YZRMJODTVKCJBR-UHFFFAOYSA-N -1 3 387.845 3.375 10 5 GGBEHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)c1 ZINC000557659848 566406384 /nfs/dbraw/zinc/40/63/84/566406384.db2.gz OUYJULCWZPHRIR-GJZGRUSLSA-N -1 3 397.250 3.192 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])s1 ZINC000601431913 566406792 /nfs/dbraw/zinc/40/67/92/566406792.db2.gz SXYNKVJOIAWLSU-GHMZBOCLSA-N -1 3 388.492 3.225 10 5 GGBEHM CCOc1ccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000484980004 566466752 /nfs/dbraw/zinc/46/67/52/566466752.db2.gz WPASJNKHXCRPKA-UHFFFAOYSA-N -1 3 376.316 3.202 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1OC(F)F ZINC000512538826 566541626 /nfs/dbraw/zinc/54/16/26/566541626.db2.gz LOOILGQCHOUCBZ-QMMMGPOBSA-N -1 3 378.378 3.297 10 5 GGBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(Br)cc2Cl)n1 ZINC000466443286 566576486 /nfs/dbraw/zinc/57/64/86/566576486.db2.gz DKROWESVNFZFTF-UHFFFAOYSA-N -1 3 377.557 3.136 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2=CCCC2)c(Br)c1 ZINC000513165699 566584995 /nfs/dbraw/zinc/58/49/95/566584995.db2.gz NFFFBOOIZZKYOD-UHFFFAOYSA-N -1 3 375.244 3.136 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000486816908 566625287 /nfs/dbraw/zinc/62/52/87/566625287.db2.gz COTYVSHPDDPBCL-QMMMGPOBSA-N -1 3 395.384 3.251 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000467395842 566643192 /nfs/dbraw/zinc/64/31/92/566643192.db2.gz JLARBPTVQXCWMD-UHFFFAOYSA-N -1 3 377.447 3.034 10 5 GGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(F)cc2Br)n1 ZINC000427374143 566770826 /nfs/dbraw/zinc/77/08/26/566770826.db2.gz GXMBQBPDFHQCOT-UHFFFAOYSA-N -1 3 375.129 3.104 10 5 GGBEHM Cc1cc(C(=O)Nc2cc(I)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000610490277 566836758 /nfs/dbraw/zinc/83/67/58/566836758.db2.gz JNSXSOVUYQRKLD-UHFFFAOYSA-N -1 3 398.156 3.466 10 5 GGBEHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000610715789 566856053 /nfs/dbraw/zinc/85/60/53/566856053.db2.gz JRYRWUPOKXHXNR-AWEZNQCLSA-N -1 3 376.862 3.122 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]C(C)(C)c2cc(C(F)(F)F)on2)cc1[N+](=O)[O-] ZINC000490480148 566856945 /nfs/dbraw/zinc/85/69/45/566856945.db2.gz VKRQNYDEEDQMLQ-UHFFFAOYSA-N -1 3 399.372 3.185 10 5 GGBEHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c1 ZINC000430022527 566976080 /nfs/dbraw/zinc/97/60/80/566976080.db2.gz OUYJULCWZPHRIR-LSDHHAIUSA-N -1 3 397.250 3.192 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)c(Cl)cc1F ZINC000471781594 566976213 /nfs/dbraw/zinc/97/62/13/566976213.db2.gz QHYBMPKACANTJT-UHFFFAOYSA-N -1 3 387.820 3.086 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)c(Br)c1 ZINC000430036316 566978316 /nfs/dbraw/zinc/97/83/16/566978316.db2.gz OWXXOEFSSSEYJB-TZMCWYRMSA-N -1 3 397.250 3.192 10 5 GGBEHM C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC000497821777 567125884 /nfs/dbraw/zinc/12/58/84/567125884.db2.gz NFGMUJOEJOAAAG-SNVBAGLBSA-N -1 3 379.210 3.483 10 5 GGBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cc(F)ccc1F ZINC000474221372 567149859 /nfs/dbraw/zinc/14/98/59/567149859.db2.gz ZPRPTPBWANAWJG-UHFFFAOYSA-N -1 3 376.768 3.047 10 5 GGBEHM COc1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC000498940725 567215394 /nfs/dbraw/zinc/21/53/94/567215394.db2.gz LWYVNDLAIPTBHR-UHFFFAOYSA-N -1 3 381.182 3.253 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCC(F)CC2)c(C(F)(F)F)c1 ZINC000592106436 567314656 /nfs/dbraw/zinc/31/46/56/567314656.db2.gz UZZXBZNZACDCSM-UHFFFAOYSA-N -1 3 384.351 3.420 10 5 GGBEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476985205 567362284 /nfs/dbraw/zinc/36/22/84/567362284.db2.gz WNLOSNQZAPRYCD-AWEZNQCLSA-N -1 3 382.825 3.277 10 5 GGBEHM C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000477275280 567385172 /nfs/dbraw/zinc/38/51/72/567385172.db2.gz QOISBWXRMSFNBI-SNVBAGLBSA-N -1 3 379.210 3.483 10 5 GGBEHM O=C(Cc1ccc(Br)cc1[O-])Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000477420491 567393650 /nfs/dbraw/zinc/39/36/50/567393650.db2.gz FCQZQWXVIVOCDO-UHFFFAOYSA-N -1 3 391.181 3.120 10 5 GGBEHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1C ZINC000549915521 567417821 /nfs/dbraw/zinc/41/78/21/567417821.db2.gz IGFAGKXRTQKPCB-NSHDSACASA-N -1 3 395.384 3.250 10 5 GGBEHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1C ZINC000549915517 567418016 /nfs/dbraw/zinc/41/80/16/567418016.db2.gz IGFAGKXRTQKPCB-LLVKDONJSA-N -1 3 395.384 3.250 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000503736388 567504529 /nfs/dbraw/zinc/50/45/29/567504529.db2.gz MXQQSCAPZAVVHL-UHFFFAOYSA-N -1 3 394.758 3.187 10 5 GGBEHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000503771853 567505551 /nfs/dbraw/zinc/50/55/51/567505551.db2.gz JFHSNFSSTXRNAA-CYBMUJFWSA-N -1 3 388.829 3.206 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C\c2ccccc2)c(Br)c1 ZINC000479884294 567566425 /nfs/dbraw/zinc/56/64/25/567566425.db2.gz GPHIUEKBXPFZGH-DAXSKMNVSA-N -1 3 397.250 3.349 10 5 GGBEHM COCCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000480602690 567615203 /nfs/dbraw/zinc/61/52/03/567615203.db2.gz BKJRBWZWFXCOOI-CQSZACIVSA-N -1 3 384.479 3.493 10 5 GGBEHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1OC ZINC000553569361 567667224 /nfs/dbraw/zinc/66/72/24/567667224.db2.gz CHKDHVNIUAONBI-JTQLQIEISA-N -1 3 386.451 3.021 10 5 GGBEHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000443197526 567738664 /nfs/dbraw/zinc/73/86/64/567738664.db2.gz LNDZXGWTPKGACR-ZDUSSCGKSA-N -1 3 378.303 3.158 10 5 GGBEHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1 ZINC000555413746 567781803 /nfs/dbraw/zinc/78/18/03/567781803.db2.gz FUOKBIJGOYCVMK-LLVKDONJSA-N -1 3 395.384 3.250 10 5 GGBEHM CCOc1ccc(C(=O)OCc2cc(=O)oc3c(C)c([O-])ccc23)cc1[N+](=O)[O-] ZINC000019004526 207099533 /nfs/dbraw/zinc/09/95/33/207099533.db2.gz WNCJLZQFTKKZCF-UHFFFAOYSA-N -1 3 399.355 3.471 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(c2ccccc2)CCCC1 ZINC000025768050 207305360 /nfs/dbraw/zinc/30/53/60/207305360.db2.gz KBHPJMPVVVQTKI-UHFFFAOYSA-N -1 3 390.461 3.394 10 5 GGBEHM CC(C)(C)OC(=O)N1CCC[C@H](COc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC000095085400 208153476 /nfs/dbraw/zinc/15/34/76/208153476.db2.gz MHKUCOGSFVFCEH-LBPRGKRZSA-N -1 3 376.413 3.497 10 5 GGBEHM CC(C)(C)OC(=O)N1CCC[C@H](COc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC000095085400 208153487 /nfs/dbraw/zinc/15/34/87/208153487.db2.gz MHKUCOGSFVFCEH-LBPRGKRZSA-N -1 3 376.413 3.497 10 5 GGBEHM O=C(Nc1ccc(Br)cc1)c1n[n-]c([N+](=O)[O-])c1Br ZINC000005907848 564219387 /nfs/dbraw/zinc/21/93/87/564219387.db2.gz HLGIBPZPCCUXJR-UHFFFAOYSA-N -1 3 389.991 3.095 10 5 GGBEHM O=C(Nc1ccc(Br)cc1)c1[n-]nc([N+](=O)[O-])c1Br ZINC000005907848 564219390 /nfs/dbraw/zinc/21/93/90/564219390.db2.gz HLGIBPZPCCUXJR-UHFFFAOYSA-N -1 3 389.991 3.095 10 5 GGBEHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000029969764 564375835 /nfs/dbraw/zinc/37/58/35/564375835.db2.gz PAZGJCQQTNCSSD-SECBINFHSA-N -1 3 388.804 3.435 10 5 GGBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1Cl ZINC000128759478 564629384 /nfs/dbraw/zinc/62/93/84/564629384.db2.gz DJMLQGUAAOSLQL-SECBINFHSA-N -1 3 388.804 3.435 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000057021520 564657408 /nfs/dbraw/zinc/65/74/08/564657408.db2.gz KQCKTNZAQCTKBR-AWEZNQCLSA-N -1 3 382.825 3.223 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000057021519 564657429 /nfs/dbraw/zinc/65/74/29/564657429.db2.gz KQCKTNZAQCTKBR-CQSZACIVSA-N -1 3 382.825 3.223 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000057022137 564658000 /nfs/dbraw/zinc/65/80/00/564658000.db2.gz CFXNSORRDFBDCW-VIFPVBQESA-N -1 3 388.804 3.435 10 5 GGBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000057021858 564658034 /nfs/dbraw/zinc/65/80/34/564658034.db2.gz KOFGEXVJRYRVFI-CQSZACIVSA-N -1 3 382.825 3.223 10 5 GGBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000067950948 564804231 /nfs/dbraw/zinc/80/42/31/564804231.db2.gz SHDQWDIEBMTQJH-VIFPVBQESA-N -1 3 375.859 3.361 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000107701181 565001495 /nfs/dbraw/zinc/00/14/95/565001495.db2.gz VHIXFFYCMHBTBP-UONOGXRCSA-N -1 3 382.825 3.091 10 5 GGBEHM CO[C@@H](C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000155132686 565062661 /nfs/dbraw/zinc/06/26/61/565062661.db2.gz JYUYVEBMMQALAT-INIZCTEOSA-N -1 3 384.841 3.055 10 5 GGBEHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000186236699 565248595 /nfs/dbraw/zinc/24/85/95/565248595.db2.gz LZBZUZXBDGBSNQ-SECBINFHSA-N -1 3 388.804 3.435 10 5 GGBEHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000186237955 565248872 /nfs/dbraw/zinc/24/88/72/565248872.db2.gz LABQTUFDWKBTFJ-VIFPVBQESA-N -1 3 388.804 3.435 10 5 GGBEHM CSc1ccc(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)cc1[N+](=O)[O-] ZINC000376398406 565434313 /nfs/dbraw/zinc/43/43/13/565434313.db2.gz MERIFOUXKWKHLS-UHFFFAOYSA-N -1 3 376.423 3.119 10 5 GGBEHM CCc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000173814771 565590076 /nfs/dbraw/zinc/59/00/76/565590076.db2.gz MUHQKTXXLPPJJU-UHFFFAOYSA-N -1 3 375.859 3.054 10 5 GGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(Br)c(F)c2)n1 ZINC000191699323 565621765 /nfs/dbraw/zinc/62/17/65/565621765.db2.gz GUZKWFFJIBQSEA-UHFFFAOYSA-N -1 3 375.129 3.104 10 5 GGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)cc(F)c2Br)n1 ZINC000191720783 565625175 /nfs/dbraw/zinc/62/51/75/565625175.db2.gz CHMZGGMHOPUGRO-UHFFFAOYSA-N -1 3 375.129 3.104 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1Cl ZINC000177579198 565860527 /nfs/dbraw/zinc/86/05/27/565860527.db2.gz AUMVMIVXLDKMPL-SECBINFHSA-N -1 3 388.804 3.435 10 5 GGBEHM CC(F)(F)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416488168 566075345 /nfs/dbraw/zinc/07/53/45/566075345.db2.gz LYVZAZPWJYDHPS-UHFFFAOYSA-N -1 3 376.303 3.327 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000416499825 566076288 /nfs/dbraw/zinc/07/62/88/566076288.db2.gz DFERHCSZZKAQKA-UHFFFAOYSA-N -1 3 388.314 3.327 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)c(Cl)c1 ZINC000599411457 566262065 /nfs/dbraw/zinc/26/20/65/566262065.db2.gz IWGVDQKODOOYBA-INIZCTEOSA-N -1 3 381.841 3.463 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000599502952 566270124 /nfs/dbraw/zinc/27/01/24/566270124.db2.gz MPORRLNMYUJULW-UHFFFAOYSA-N -1 3 382.360 3.004 10 5 GGBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(C)nn(C)c1C ZINC000462614709 566334094 /nfs/dbraw/zinc/33/40/94/566334094.db2.gz KLHUZHCTSGXPBD-ZDUSSCGKSA-N -1 3 386.861 3.028 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CCCC2)c(Br)c1 ZINC000446965616 566374894 /nfs/dbraw/zinc/37/48/94/566374894.db2.gz IHEPJZJZQRJYRF-UHFFFAOYSA-N -1 3 377.260 3.216 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000576895288 566388632 /nfs/dbraw/zinc/38/86/32/566388632.db2.gz LSLPNGVGHPXFDZ-VIFPVBQESA-N -1 3 375.328 3.048 10 5 GGBEHM CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000447159100 566390586 /nfs/dbraw/zinc/39/05/86/566390586.db2.gz ZIBTVOHBCZGEDH-UHFFFAOYSA-N -1 3 388.417 3.215 10 5 GGBEHM CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000447152509 566391141 /nfs/dbraw/zinc/39/11/41/566391141.db2.gz IRTHMGFLILTPCP-UHFFFAOYSA-N -1 3 384.454 3.384 10 5 GGBEHM C[C@](CO)(NCc1cc([O-])ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148883 566393940 /nfs/dbraw/zinc/39/39/40/566393940.db2.gz HFXIKRSVGMODOL-MRXNPFEDSA-N -1 3 381.226 3.060 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601386133 566403469 /nfs/dbraw/zinc/40/34/69/566403469.db2.gz XDXPDSOSTPXLDP-UKRRQHHQSA-N -1 3 382.463 3.021 10 5 GGBEHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000557659852 566405640 /nfs/dbraw/zinc/40/56/40/566405640.db2.gz OUYJULCWZPHRIR-HUUCEWRRSA-N -1 3 397.250 3.192 10 5 GGBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCOc2c(Cl)cccc21 ZINC000537181687 566428511 /nfs/dbraw/zinc/42/85/11/566428511.db2.gz JLLAHHOXPIYDBL-ZDUSSCGKSA-N -1 3 382.825 3.440 10 5 GGBEHM COC(=O)c1cnc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)s1 ZINC000448135470 566459212 /nfs/dbraw/zinc/45/92/12/566459212.db2.gz UPNWPGGSBBRUNP-UHFFFAOYSA-N -1 3 375.284 3.109 10 5 GGBEHM COCc1cc(Cl)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000424078507 566509354 /nfs/dbraw/zinc/50/93/54/566509354.db2.gz DRCJHMOKEJYGJN-UHFFFAOYSA-N -1 3 384.841 3.379 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2ncsc2c1 ZINC000485943895 566541530 /nfs/dbraw/zinc/54/15/30/566541530.db2.gz VSUJCEUDSQPGGV-VIFPVBQESA-N -1 3 381.410 3.383 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1OC(F)F ZINC000512538825 566541622 /nfs/dbraw/zinc/54/16/22/566541622.db2.gz LOOILGQCHOUCBZ-MRVPVSSYSA-N -1 3 378.378 3.297 10 5 GGBEHM O=C(Cc1ccc(Br)cc1[O-])N1CCc2c1cccc2[N+](=O)[O-] ZINC000579245804 566593288 /nfs/dbraw/zinc/59/32/88/566593288.db2.gz IXVKZCYUDTVQOJ-UHFFFAOYSA-N -1 3 377.194 3.195 10 5 GGBEHM COC(=O)c1cnc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000561433709 566704885 /nfs/dbraw/zinc/70/48/85/566704885.db2.gz IHWZKZMCJISGEE-UHFFFAOYSA-N -1 3 381.797 3.404 10 5 GGBEHM Cc1c(Br)cc(C(=O)[N-]c2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000542246130 566786440 /nfs/dbraw/zinc/78/64/40/566786440.db2.gz HOBFEKRJPCLXNF-UHFFFAOYSA-N -1 3 382.218 3.265 10 5 GGBEHM COc1cnc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000490012912 566824690 /nfs/dbraw/zinc/82/46/90/566824690.db2.gz KCJCPCUPRRDTFI-UHFFFAOYSA-N -1 3 384.186 3.087 10 5 GGBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000610715743 566856748 /nfs/dbraw/zinc/85/67/48/566856748.db2.gz CNADVRVAINZZAS-AWEZNQCLSA-N -1 3 376.862 3.122 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)c(Br)c1 ZINC000430036314 566978121 /nfs/dbraw/zinc/97/81/21/566978121.db2.gz OWXXOEFSSSEYJB-JSGCOSHPSA-N -1 3 397.250 3.192 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c(Br)c1 ZINC000430036315 566978303 /nfs/dbraw/zinc/97/83/03/566978303.db2.gz OWXXOEFSSSEYJB-OCCSQVGLSA-N -1 3 397.250 3.192 10 5 GGBEHM COC(=O)c1coc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000431254171 567069819 /nfs/dbraw/zinc/06/98/19/567069819.db2.gz GFDFBOPYNJPQPN-UHFFFAOYSA-N -1 3 383.154 3.298 10 5 GGBEHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000431587996 567094126 /nfs/dbraw/zinc/09/41/26/567094126.db2.gz YUKNLRGCDFYDMB-UHFFFAOYSA-N -1 3 379.276 3.460 10 5 GGBEHM Cc1oc2nc[nH]c(=O)c2c1C(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000586835980 567101139 /nfs/dbraw/zinc/10/11/39/567101139.db2.gz SJDZWKZNRDDRLC-UHFFFAOYSA-N -1 3 393.153 3.160 10 5 GGBEHM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccc(Br)cc21 ZINC000587519886 567104695 /nfs/dbraw/zinc/10/46/95/567104695.db2.gz UPCDTZKVQGMIEI-UHFFFAOYSA-N -1 3 392.209 3.396 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)cc1[N+](=O)[O-] ZINC000433448947 567250340 /nfs/dbraw/zinc/25/03/40/567250340.db2.gz CUEMCGCRSFJMNA-UHFFFAOYSA-N -1 3 382.797 3.375 10 5 GGBEHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000433510831 567255378 /nfs/dbraw/zinc/25/53/78/567255378.db2.gz IGVIAEXYHIMBRW-UHFFFAOYSA-N -1 3 384.841 3.168 10 5 GGBEHM COc1ccccc1C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000592070217 567313394 /nfs/dbraw/zinc/31/33/94/567313394.db2.gz LCLBOIPMUVAHEA-UHFFFAOYSA-N -1 3 382.825 3.224 10 5 GGBEHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000456189571 567348754 /nfs/dbraw/zinc/34/87/54/567348754.db2.gz OVKHLRXAAKXBLA-UHFFFAOYSA-N -1 3 383.451 3.132 10 5 GGBEHM COC(=O)c1ccc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000551331750 567498111 /nfs/dbraw/zinc/49/81/11/567498111.db2.gz HARSNAJRNIRYBU-UHFFFAOYSA-N -1 3 385.195 3.458 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)c(Cl)c1 ZINC000594870652 567522138 /nfs/dbraw/zinc/52/21/38/567522138.db2.gz NCBJHLXJKXEDJB-UHFFFAOYSA-N -1 3 380.800 3.495 10 5 GGBEHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000594860332 567522645 /nfs/dbraw/zinc/52/26/45/567522645.db2.gz AYXCCQVRNJTDCG-ZDUSSCGKSA-N -1 3 377.260 3.214 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cscn1 ZINC000572423656 567637924 /nfs/dbraw/zinc/63/79/24/567637924.db2.gz GRTZEGWQABGGGI-SSDOTTSWSA-N -1 3 381.357 3.110 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1ccc(Cl)cc1 ZINC000574176717 567761195 /nfs/dbraw/zinc/76/11/95/567761195.db2.gz GMAUWLUPXIGJOD-UHFFFAOYSA-N -1 3 384.841 3.470 10 5 GGBEHM Cc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598612567 567778917 /nfs/dbraw/zinc/77/89/17/567778917.db2.gz XNQSIVBCCXRNRV-LLVKDONJSA-N -1 3 395.384 3.250 10 5 GGBEHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1 ZINC000555413747 567782393 /nfs/dbraw/zinc/78/23/93/567782393.db2.gz FUOKBIJGOYCVMK-NSHDSACASA-N -1 3 395.384 3.250 10 5 GGBEHM O=c1c2c[n-]nc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000004660665 570810681 /nfs/dbraw/zinc/81/06/81/570810681.db2.gz AUPGCCQVUHRAFB-UHFFFAOYSA-N -1 3 379.401 3.309 10 5 GGBEHM O=c1c2cn[n-]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000004660665 570810683 /nfs/dbraw/zinc/81/06/83/570810683.db2.gz AUPGCCQVUHRAFB-UHFFFAOYSA-N -1 3 379.401 3.309 10 5 GGBEHM O=C([N-]n1cnc2scc(-c3cccs3)c2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000007968047 1398782772 /nfs/dbraw/zinc/78/27/72/1398782772.db2.gz GCSYHMRZGKGXNF-UHFFFAOYSA-N -1 3 398.425 3.479 10 5 GGBEHM C[C@](CO)(Cc1ccc(Br)cc1)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001660387350 1126264251 /nfs/dbraw/zinc/26/42/51/1126264251.db2.gz DYBSLOGJWXZDTG-QGZVFWFLSA-N -1 3 395.253 3.146 10 5 GGBEHM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]C3CCCC3)s2)c1[N+](=O)[O-] ZINC000015822996 210170895 /nfs/dbraw/zinc/17/08/95/210170895.db2.gz SUKWTCSISRZJRE-SOFGYWHQSA-N -1 3 383.451 3.344 10 5 GGBEHM O=C([O-])C1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccn32)CC1 ZINC000002599727 209370571 /nfs/dbraw/zinc/37/05/71/209370571.db2.gz WYLFFSQLJAZFSL-UHFFFAOYSA-N -1 3 380.404 3.206 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000016087447 209171894 /nfs/dbraw/zinc/17/18/94/209171894.db2.gz BYCVKQFRITUGAO-SNVBAGLBSA-N -1 3 385.239 3.397 10 5 GGBEHM CC(C)(C)OC(=O)N1CCC(COc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC000095084049 211218605 /nfs/dbraw/zinc/21/86/05/211218605.db2.gz JMLUMUOCTBVTLO-UHFFFAOYSA-N -1 3 376.413 3.497 10 5 GGBEHM CC(C)(C)OC(=O)N1CCC(COc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC000095084049 211218610 /nfs/dbraw/zinc/21/86/10/211218610.db2.gz JMLUMUOCTBVTLO-UHFFFAOYSA-N -1 3 376.413 3.497 10 5 GGBEHM Cc1nn(CCCC(=O)Nc2cc(Br)ccc2[O-])c(C)c1[N+](=O)[O-] ZINC000004873888 564208614 /nfs/dbraw/zinc/20/86/14/564208614.db2.gz PCDTYGOWMUBRTE-UHFFFAOYSA-N -1 3 397.229 3.295 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(N2CCCC2)c1 ZINC000119134190 564256388 /nfs/dbraw/zinc/25/63/88/564256388.db2.gz ZNJKKUGLFHWVBG-GFCCVEGCSA-N -1 3 381.479 3.296 10 5 GGBEHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1coc(Br)c1 ZINC000121707789 564382518 /nfs/dbraw/zinc/38/25/18/564382518.db2.gz TXVFGCMJPRHKRD-UHFFFAOYSA-N -1 3 383.154 3.364 10 5 GGBEHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000127172424 564575838 /nfs/dbraw/zinc/57/58/38/564575838.db2.gz SSWZTMADSOKADC-JTQLQIEISA-N -1 3 386.499 3.264 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1Cl ZINC000128733051 564627384 /nfs/dbraw/zinc/62/73/84/564627384.db2.gz MKYORMPXHWXPAU-VIFPVBQESA-N -1 3 388.804 3.435 10 5 GGBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1Cl ZINC000128759240 564629253 /nfs/dbraw/zinc/62/92/53/564629253.db2.gz DJMLQGUAAOSLQL-VIFPVBQESA-N -1 3 388.804 3.435 10 5 GGBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000057022199 564658155 /nfs/dbraw/zinc/65/81/55/564658155.db2.gz KRDWOWJPCQSYRH-VIFPVBQESA-N -1 3 388.804 3.435 10 5 GGBEHM COc1ccc2ccccc2c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064245208 564727174 /nfs/dbraw/zinc/72/71/74/564727174.db2.gz GDGCJLZZNQLVKD-UHFFFAOYSA-N -1 3 378.431 3.297 10 5 GGBEHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000066327802 564762531 /nfs/dbraw/zinc/76/25/31/564762531.db2.gz UPMIORZITYEBGE-GFCCVEGCSA-N -1 3 389.524 3.079 10 5 GGBEHM Cc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000133114513 564763647 /nfs/dbraw/zinc/76/36/47/564763647.db2.gz XPZLXINRYJNJTA-UWVGGRQHSA-N -1 3 384.351 3.442 10 5 GGBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000067950947 564804028 /nfs/dbraw/zinc/80/40/28/564804028.db2.gz SHDQWDIEBMTQJH-SECBINFHSA-N -1 3 375.859 3.361 10 5 GGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(Br)c3cccnc23)n1 ZINC000138479457 564866760 /nfs/dbraw/zinc/86/67/60/564866760.db2.gz MKOVSYRCQSNMPY-UHFFFAOYSA-N -1 3 390.197 3.374 10 5 GGBEHM COc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000150782442 564889787 /nfs/dbraw/zinc/88/97/87/564889787.db2.gz JTCWTBOPEQYJOV-UWVGGRQHSA-N -1 3 382.360 3.003 10 5 GGBEHM COc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000150782427 564890344 /nfs/dbraw/zinc/89/03/44/564890344.db2.gz JTCWTBOPEQYJOV-VHSXEESVSA-N -1 3 382.360 3.003 10 5 GGBEHM CC(C)(C)OCc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000101927082 564924245 /nfs/dbraw/zinc/92/42/45/564924245.db2.gz ZIZKJTHLIKKLAE-UHFFFAOYSA-N -1 3 384.479 3.450 10 5 GGBEHM CO[C@H](C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000156098251 565075055 /nfs/dbraw/zinc/07/50/55/565075055.db2.gz NIYHUAJQFPATBB-MRXNPFEDSA-N -1 3 384.841 3.055 10 5 GGBEHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183675625 565087502 /nfs/dbraw/zinc/08/75/02/565087502.db2.gz BOZRRIOBPMMEOK-SECBINFHSA-N -1 3 387.845 3.071 10 5 GGBEHM CCOc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1[N+](=O)[O-] ZINC000156521855 565092554 /nfs/dbraw/zinc/09/25/54/565092554.db2.gz KJGNVEMCFOGVHI-UHFFFAOYSA-N -1 3 395.209 3.392 10 5 GGBEHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000186237972 565248344 /nfs/dbraw/zinc/24/83/44/565248344.db2.gz LABQTUFDWKBTFJ-SECBINFHSA-N -1 3 388.804 3.435 10 5 GGBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000163269735 565341594 /nfs/dbraw/zinc/34/15/94/565341594.db2.gz YWZMPFLRODNEML-QMMMGPOBSA-N -1 3 395.384 3.418 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000414458799 565936699 /nfs/dbraw/zinc/93/66/99/565936699.db2.gz YSNYNBIKLRSIKP-NSHDSACASA-N -1 3 395.384 3.250 10 5 GGBEHM CC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000181204578 566123734 /nfs/dbraw/zinc/12/37/34/566123734.db2.gz UAGBHGDPZDUURL-UHFFFAOYSA-N -1 3 382.825 3.435 10 5 GGBEHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1ncn(-c2ccccc2)n1 ZINC000556469419 566304523 /nfs/dbraw/zinc/30/45/23/566304523.db2.gz XUZSLBPVLXQPLI-UHFFFAOYSA-N -1 3 388.181 3.190 10 5 GGBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2 ZINC000420706410 566304611 /nfs/dbraw/zinc/30/46/11/566304611.db2.gz LCIKQBXQRYKWHF-SNVBAGLBSA-N -1 3 376.887 3.060 10 5 GGBEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000462497786 566313052 /nfs/dbraw/zinc/31/30/52/566313052.db2.gz ZZVVGSWYNPFRBP-UHFFFAOYSA-N -1 3 375.859 3.108 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)Sc1ccccc1 ZINC000462607623 566332093 /nfs/dbraw/zinc/33/20/93/566332093.db2.gz QURXERUZLFVYKU-GFCCVEGCSA-N -1 3 382.463 3.063 10 5 GGBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(C)nn(C)c1C ZINC000462614708 566334079 /nfs/dbraw/zinc/33/40/79/566334079.db2.gz KLHUZHCTSGXPBD-CYBMUJFWSA-N -1 3 386.861 3.028 10 5 GGBEHM COC(=O)c1ccsc1[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000483019364 566352331 /nfs/dbraw/zinc/35/23/31/566352331.db2.gz FQZSYTDJVLMNKD-UHFFFAOYSA-N -1 3 382.419 3.426 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCCCC2)c(Br)c1 ZINC000446967234 566374448 /nfs/dbraw/zinc/37/44/48/566374448.db2.gz RNGAXPOAWOPXOH-UHFFFAOYSA-N -1 3 377.260 3.216 10 5 GGBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC)c(OC)c1 ZINC000510370072 566378435 /nfs/dbraw/zinc/37/84/35/566378435.db2.gz UXCUBDDUFPQHPE-NSHDSACASA-N -1 3 386.451 3.103 10 5 GGBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC)c(OC)c1 ZINC000510370071 566378459 /nfs/dbraw/zinc/37/84/59/566378459.db2.gz UXCUBDDUFPQHPE-LLVKDONJSA-N -1 3 386.451 3.103 10 5 GGBEHM C[C@@](CO)(NCc1cc([O-])ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148879 566393761 /nfs/dbraw/zinc/39/37/61/566393761.db2.gz HFXIKRSVGMODOL-INIZCTEOSA-N -1 3 381.226 3.060 10 5 GGBEHM C[C@@](CO)(NCc1cccc([O-])c1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148851 566393789 /nfs/dbraw/zinc/39/37/89/566393789.db2.gz GWPMUQYTQSPWCJ-INIZCTEOSA-N -1 3 381.226 3.060 10 5 GGBEHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000536705424 566395706 /nfs/dbraw/zinc/39/57/06/566395706.db2.gz STBKRXPLZRKLIH-OAHLLOKOSA-N -1 3 384.841 3.223 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601386132 566403631 /nfs/dbraw/zinc/40/36/31/566403631.db2.gz XDXPDSOSTPXLDP-HIFRSBDPSA-N -1 3 382.463 3.021 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000601393246 566404209 /nfs/dbraw/zinc/40/42/09/566404209.db2.gz DNMORMKQBPCSKX-UONOGXRCSA-N -1 3 382.463 3.163 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000465501041 566534821 /nfs/dbraw/zinc/53/48/21/566534821.db2.gz HQPPRYHJBMRQIZ-UHFFFAOYSA-N -1 3 382.463 3.112 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2ncsc2c1 ZINC000485943893 566541749 /nfs/dbraw/zinc/54/17/49/566541749.db2.gz VSUJCEUDSQPGGV-SECBINFHSA-N -1 3 381.410 3.383 10 5 GGBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(F)c(Cl)c3)cs2)n1 ZINC000539017641 566553112 /nfs/dbraw/zinc/55/31/12/566553112.db2.gz QWVCBQYIOLOATD-UHFFFAOYSA-N -1 3 381.776 3.497 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000467042384 566620110 /nfs/dbraw/zinc/62/01/10/566620110.db2.gz CFACTQWYNFLWHR-XJKSGUPXSA-N -1 3 382.463 3.021 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000467073928 566624116 /nfs/dbraw/zinc/62/41/16/566624116.db2.gz SIXIEQKMAOTJSC-QMMMGPOBSA-N -1 3 376.406 3.325 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000467077314 566624400 /nfs/dbraw/zinc/62/44/00/566624400.db2.gz BCGLUZLZQJHITN-IEVXNVSRSA-N -1 3 382.463 3.196 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000467399526 566643110 /nfs/dbraw/zinc/64/31/10/566643110.db2.gz GEMPSZLEJHQFQQ-UHFFFAOYSA-N -1 3 379.419 3.098 10 5 GGBEHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1cc(CN2CCCC2)on1 ZINC000488362972 566723122 /nfs/dbraw/zinc/72/31/22/566723122.db2.gz YTLQZLHBSZRWQR-UHFFFAOYSA-N -1 3 395.213 3.193 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1[N+](=O)[O-] ZINC000562070504 566762572 /nfs/dbraw/zinc/76/25/72/566762572.db2.gz QGRPSEXVYZRSDM-HIFRSBDPSA-N -1 3 382.463 3.163 10 5 GGBEHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(I)ccc1[O-] ZINC000610485700 566834664 /nfs/dbraw/zinc/83/46/64/566834664.db2.gz AEYKBWOKQHCUQZ-UHFFFAOYSA-N -1 3 398.156 3.086 10 5 GGBEHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(I)ccc1[O-] ZINC000610491163 566837129 /nfs/dbraw/zinc/83/71/29/566837129.db2.gz VQAGHSTUEDEVRY-UHFFFAOYSA-N -1 3 398.156 3.086 10 5 GGBEHM Cc1csc(C2([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)CCC2)n1 ZINC000517646979 566837912 /nfs/dbraw/zinc/83/79/12/566837912.db2.gz GLVQCNPVBRZFEQ-UHFFFAOYSA-N -1 3 381.479 3.334 10 5 GGBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000610715744 566855500 /nfs/dbraw/zinc/85/55/00/566855500.db2.gz CNADVRVAINZZAS-CQSZACIVSA-N -1 3 376.862 3.122 10 5 GGBEHM Cc1csc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCC2)n1 ZINC000470788510 566904694 /nfs/dbraw/zinc/90/46/94/566904694.db2.gz GOGLHVDUSAHUKJ-UHFFFAOYSA-N -1 3 387.870 3.371 10 5 GGBEHM Cc1csc(C2([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)CCC2)n1 ZINC000493797957 566956543 /nfs/dbraw/zinc/95/65/43/566956543.db2.gz RVOKYEGQFDZJIM-UHFFFAOYSA-N -1 3 381.479 3.334 10 5 GGBEHM COc1ccc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000472335753 567020353 /nfs/dbraw/zinc/02/03/53/567020353.db2.gz FMUIMBIHWOVMAJ-UHFFFAOYSA-N -1 3 384.841 3.086 10 5 GGBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(Cc3ccccc3Cl)s2)n1 ZINC000495285661 567055852 /nfs/dbraw/zinc/05/58/52/567055852.db2.gz VVLNHVWMUMNIMS-UHFFFAOYSA-N -1 3 377.813 3.281 10 5 GGBEHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1c[n-]c2ccccc2c1=O ZINC000586836025 567101222 /nfs/dbraw/zinc/10/12/22/567101222.db2.gz KXTWPWCGUVKVED-UHFFFAOYSA-N -1 3 388.177 3.451 10 5 GGBEHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cnc2ccccc2c1[O-] ZINC000586836025 567101225 /nfs/dbraw/zinc/10/12/25/567101225.db2.gz KXTWPWCGUVKVED-UHFFFAOYSA-N -1 3 388.177 3.451 10 5 GGBEHM Cc1c(Br)cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144505 567117620 /nfs/dbraw/zinc/11/76/20/567117620.db2.gz LPJWCIJLHSSBPB-NSHDSACASA-N -1 3 399.213 3.132 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)c(Cl)c1 ZINC000474206905 567146280 /nfs/dbraw/zinc/14/62/80/567146280.db2.gz HTGGGETXDYGNPO-UHFFFAOYSA-N -1 3 376.768 3.047 10 5 GGBEHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cc(Br)c(Cl)cc21 ZINC000615933304 567215903 /nfs/dbraw/zinc/21/59/03/567215903.db2.gz SDUHQXJTUWSHID-UHFFFAOYSA-N -1 3 398.600 3.314 10 5 GGBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC(OC(F)F)CC1 ZINC000590764518 567246296 /nfs/dbraw/zinc/24/62/96/567246296.db2.gz HBKWJZURPOZWQJ-UHFFFAOYSA-N -1 3 384.788 3.077 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)c(Cl)c1 ZINC000590764557 567246400 /nfs/dbraw/zinc/24/64/00/567246400.db2.gz PTRIJNXGBWVGOX-UHFFFAOYSA-N -1 3 384.788 3.077 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)c(F)c1 ZINC000433443964 567250529 /nfs/dbraw/zinc/25/05/29/567250529.db2.gz RDJWNRBEIORGGW-UHFFFAOYSA-N -1 3 380.731 3.144 10 5 GGBEHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(F)F ZINC000592067123 567313158 /nfs/dbraw/zinc/31/31/58/567313158.db2.gz MZFLULPPTPPJJI-ZETCQYMHSA-N -1 3 376.303 3.183 10 5 GGBEHM Cc1c(NC(=O)NCc2ncccc2[O-])cc(Br)cc1[N+](=O)[O-] ZINC000435322683 567354738 /nfs/dbraw/zinc/35/47/38/567354738.db2.gz FWWRMVQXTFMSRE-UHFFFAOYSA-N -1 3 381.186 3.088 10 5 GGBEHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000476985206 567362622 /nfs/dbraw/zinc/36/26/22/567362622.db2.gz WNLOSNQZAPRYCD-CQSZACIVSA-N -1 3 382.825 3.277 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)cc1[N+](=O)[O-] ZINC000569207997 567386981 /nfs/dbraw/zinc/38/69/81/567386981.db2.gz QGRPSEXVYZRSDM-UKRRQHHQSA-N -1 3 382.463 3.163 10 5 GGBEHM O=c1[nH]c2c(cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCCC2 ZINC000593285615 567403455 /nfs/dbraw/zinc/40/34/55/567403455.db2.gz SOIOLRQDJPLNPG-UHFFFAOYSA-N -1 3 383.813 3.028 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C2CC2)nc1 ZINC000593603598 567427195 /nfs/dbraw/zinc/42/71/95/567427195.db2.gz WJJOXZSJGCGCIC-HNNXBMFYSA-N -1 3 385.804 3.212 10 5 GGBEHM CC(C)(C)c1cc(Br)cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1[O-] ZINC000594382693 567473374 /nfs/dbraw/zinc/47/33/74/567473374.db2.gz ZIDGOGZWPWMCOC-UHFFFAOYSA-N -1 3 397.229 3.196 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C1CCC(F)(F)CC1 ZINC000594486464 567480704 /nfs/dbraw/zinc/48/07/04/567480704.db2.gz GFOSJZZWPKYRBK-JTQLQIEISA-N -1 3 378.397 3.096 10 5 GGBEHM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000503771854 567505492 /nfs/dbraw/zinc/50/54/92/567505492.db2.gz JFHSNFSSTXRNAA-ZDUSSCGKSA-N -1 3 388.829 3.206 10 5 GGBEHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)c1F ZINC000479163265 567511645 /nfs/dbraw/zinc/51/16/45/567511645.db2.gz SVXHMTMBQNUXNN-UHFFFAOYSA-N -1 3 380.325 3.077 10 5 GGBEHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1(F)F ZINC000594856527 567521303 /nfs/dbraw/zinc/52/13/03/567521303.db2.gz HEQYKXNVFULOST-LLVKDONJSA-N -1 3 399.213 3.071 10 5 GGBEHM Cc1ccc(Br)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000438889355 567551775 /nfs/dbraw/zinc/55/17/75/567551775.db2.gz ZFQNUWHYZLNXPG-UHFFFAOYSA-N -1 3 391.268 3.206 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595352244 567557466 /nfs/dbraw/zinc/55/74/66/567557466.db2.gz ARRPWAALBAFGLK-HOTGVXAUSA-N -1 3 384.479 3.001 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(Cl)c1 ZINC000595380661 567560948 /nfs/dbraw/zinc/56/09/48/567560948.db2.gz RJJOMYZCMSUBAD-APHBMKBZSA-N -1 3 382.800 3.004 10 5 GGBEHM COCCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000480602689 567615326 /nfs/dbraw/zinc/61/53/26/567615326.db2.gz BKJRBWZWFXCOOI-AWEZNQCLSA-N -1 3 384.479 3.493 10 5 GGBEHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000555412702 567782149 /nfs/dbraw/zinc/78/21/49/567782149.db2.gz ISZGMAQWYOCWMI-NSHDSACASA-N -1 3 395.384 3.250 10 5 GGBEHM CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([O-])cc1[N+](=O)[O-] ZINC000170595802 570853615 /nfs/dbraw/zinc/85/36/15/570853615.db2.gz UCWQMZPNDOEVOK-KRWDZBQOSA-N -1 3 383.448 3.285 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000016087448 212104758 /nfs/dbraw/zinc/10/47/58/212104758.db2.gz BYCVKQFRITUGAO-JTQLQIEISA-N -1 3 385.239 3.397 10 5 GGBEHM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(Br)c1 ZINC000037975682 221875362 /nfs/dbraw/zinc/87/53/62/221875362.db2.gz RHKYKZDBQSVFGP-UHFFFAOYSA-N -1 3 392.618 3.207 10 5 GGBEHM CC(C)(C)OC(=O)N1CCC[C@@H](COc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC000095085401 222330328 /nfs/dbraw/zinc/33/03/28/222330328.db2.gz MHKUCOGSFVFCEH-GFCCVEGCSA-N -1 3 376.413 3.497 10 5 GGBEHM CC(C)(C)OC(=O)N1CCC[C@@H](COc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC000095085401 222330331 /nfs/dbraw/zinc/33/03/31/222330331.db2.gz MHKUCOGSFVFCEH-GFCCVEGCSA-N -1 3 376.413 3.497 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 ZINC000078876394 222297852 /nfs/dbraw/zinc/29/78/52/222297852.db2.gz JJAGUSUGILIBSB-SNVBAGLBSA-N -1 3 385.239 3.397 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000030379448 564379441 /nfs/dbraw/zinc/37/94/41/564379441.db2.gz UXKNDCKSRLUGNY-SECBINFHSA-N -1 3 384.797 3.016 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000032444849 564400591 /nfs/dbraw/zinc/40/05/91/564400591.db2.gz IWOOSKWODVCERS-ZDUSSCGKSA-N -1 3 380.447 3.119 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000032444848 564400671 /nfs/dbraw/zinc/40/06/71/564400671.db2.gz IWOOSKWODVCERS-CYBMUJFWSA-N -1 3 380.447 3.119 10 5 GGBEHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000047543413 564522763 /nfs/dbraw/zinc/52/27/63/564522763.db2.gz WLZGUWSLHOFDJC-VIFPVBQESA-N -1 3 388.804 3.435 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC000052781810 564576474 /nfs/dbraw/zinc/57/64/74/564576474.db2.gz PMCDLGCANZNOJP-UHFFFAOYSA-N -1 3 391.232 3.389 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1Cl ZINC000128733281 564627223 /nfs/dbraw/zinc/62/72/23/564627223.db2.gz MKYORMPXHWXPAU-SECBINFHSA-N -1 3 388.804 3.435 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)cc1 ZINC000064242848 564727325 /nfs/dbraw/zinc/72/73/25/564727325.db2.gz NBAISXPTSUSBNI-QMMMGPOBSA-N -1 3 391.268 3.458 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC(F)F)cc1 ZINC000066327588 564762540 /nfs/dbraw/zinc/76/25/40/564762540.db2.gz HKVCFZCXIMALMH-MRVPVSSYSA-N -1 3 378.378 3.297 10 5 GGBEHM C[C@H](NC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000068913628 564829507 /nfs/dbraw/zinc/82/95/07/564829507.db2.gz ZWMNOIHTPYKUQQ-LBPRGKRZSA-N -1 3 383.495 3.064 10 5 GGBEHM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000152232413 564951723 /nfs/dbraw/zinc/95/17/23/564951723.db2.gz MBLCJRMVRAZWPF-UHFFFAOYSA-N -1 3 378.378 3.045 10 5 GGBEHM CO[C@H](C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000155132778 565062494 /nfs/dbraw/zinc/06/24/94/565062494.db2.gz JYUYVEBMMQALAT-MRXNPFEDSA-N -1 3 384.841 3.055 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000170794692 565393475 /nfs/dbraw/zinc/39/34/75/565393475.db2.gz VPMPZCQIMIRBSP-QMMMGPOBSA-N -1 3 391.268 3.458 10 5 GGBEHM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000188412085 565399822 /nfs/dbraw/zinc/39/98/22/565399822.db2.gz XLJPDAIDLMAEJL-CQSZACIVSA-N -1 3 382.825 3.359 10 5 GGBEHM CC(C)C(=O)Nc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000302201697 565536789 /nfs/dbraw/zinc/53/67/89/565536789.db2.gz VKKFHXRWCVUSRQ-UHFFFAOYSA-N -1 3 383.451 3.398 10 5 GGBEHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)sc1C ZINC000173227871 565538321 /nfs/dbraw/zinc/53/83/21/565538321.db2.gz AXYHVDUAMBZRNM-UHFFFAOYSA-N -1 3 375.859 3.108 10 5 GGBEHM CCOc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000303326529 565569706 /nfs/dbraw/zinc/56/97/06/565569706.db2.gz MVZAQYLEYJMSCN-UHFFFAOYSA-N -1 3 388.804 3.265 10 5 GGBEHM Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C2CC2)n1 ZINC000416406372 566063513 /nfs/dbraw/zinc/06/35/13/566063513.db2.gz FLOMUEMIGTVKDG-OAHLLOKOSA-N -1 3 381.479 3.406 10 5 GGBEHM Cc1csc(C2([N-]S(=O)(=O)c3cc(C)c([N+](=O)[O-])cc3C)CCC2)n1 ZINC000416411045 566065175 /nfs/dbraw/zinc/06/51/75/566065175.db2.gz IIGGRKVHMMKPFV-UHFFFAOYSA-N -1 3 381.479 3.334 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)c(C(F)(F)F)c1 ZINC000180599691 566076010 /nfs/dbraw/zinc/07/60/10/566076010.db2.gz MTFBQPATWCWPMI-UHFFFAOYSA-N -1 3 395.746 3.141 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccc(Cl)c(C)c1 ZINC000462115908 566250415 /nfs/dbraw/zinc/25/04/15/566250415.db2.gz JSAXKFSIHFXLFS-UHFFFAOYSA-N -1 3 384.841 3.086 10 5 GGBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000599451000 566266453 /nfs/dbraw/zinc/26/64/53/566266453.db2.gz QTHDKUJDOHTFGF-CYBMUJFWSA-N -1 3 382.825 3.223 10 5 GGBEHM COc1cc2c(cc1F)CC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000510628040 566400534 /nfs/dbraw/zinc/40/05/34/566400534.db2.gz MIESAKYALGAHKB-GFCCVEGCSA-N -1 3 386.426 3.078 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000601393247 566405299 /nfs/dbraw/zinc/40/52/99/566405299.db2.gz DNMORMKQBPCSKX-ZIAGYGMSSA-N -1 3 382.463 3.163 10 5 GGBEHM CSc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccn1 ZINC000537868263 566477814 /nfs/dbraw/zinc/47/78/14/566477814.db2.gz NNNMBYQEDPNWQU-UHFFFAOYSA-N -1 3 387.870 3.152 10 5 GGBEHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000559141446 566528430 /nfs/dbraw/zinc/52/84/30/566528430.db2.gz UUWFCUHEBQLXAS-NSHDSACASA-N -1 3 395.384 3.196 10 5 GGBEHM COC(=O)c1cc([N-]C(=O)c2coc(Br)c2)c(C)c([N+](=O)[O-])c1 ZINC000485939976 566541201 /nfs/dbraw/zinc/54/12/01/566541201.db2.gz YXXZJDBYXWPODB-UHFFFAOYSA-N -1 3 383.154 3.298 10 5 GGBEHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000512539017 566541599 /nfs/dbraw/zinc/54/15/99/566541599.db2.gz NYIRUFHUUOABGE-CQSZACIVSA-N -1 3 383.495 3.018 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000467042383 566619842 /nfs/dbraw/zinc/61/98/42/566619842.db2.gz CFACTQWYNFLWHR-CZUORRHYSA-N -1 3 382.463 3.021 10 5 GGBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOCc1ccc(Cl)cc1 ZINC000513847491 566629459 /nfs/dbraw/zinc/62/94/59/566629459.db2.gz LZRBEQREFBAOKJ-UHFFFAOYSA-N -1 3 384.841 3.052 10 5 GGBEHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514151935 566644540 /nfs/dbraw/zinc/64/45/40/566644540.db2.gz PSYFJPDPVXYWHB-UHFFFAOYSA-N -1 3 384.242 3.319 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] ZINC000467418797 566644978 /nfs/dbraw/zinc/64/49/78/566644978.db2.gz OVVVOFLOFKCONA-UHFFFAOYSA-N -1 3 396.368 3.342 10 5 GGBEHM COc1cccc2c1n[n-]c2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000488349520 566721831 /nfs/dbraw/zinc/72/18/31/566721831.db2.gz DZLUUNCJKAAFES-UHFFFAOYSA-N -1 3 391.181 3.495 10 5 GGBEHM COc1cccc2c(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)n[n-]c21 ZINC000488349520 566721840 /nfs/dbraw/zinc/72/18/40/566721840.db2.gz DZLUUNCJKAAFES-UHFFFAOYSA-N -1 3 391.181 3.495 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000515762665 566731978 /nfs/dbraw/zinc/73/19/78/566731978.db2.gz KFQSKAUVVJXDJV-UHFFFAOYSA-N -1 3 382.463 3.022 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1 ZINC000610005898 566798974 /nfs/dbraw/zinc/79/89/74/566798974.db2.gz LTCSJAMIPMABFV-UHFFFAOYSA-N -1 3 384.841 3.470 10 5 GGBEHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000517191228 566809501 /nfs/dbraw/zinc/80/95/01/566809501.db2.gz ATFJGOFNVVWEKP-UHFFFAOYSA-N -1 3 399.226 3.136 10 5 GGBEHM O=C(Nc1cc(I)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000610485588 566834396 /nfs/dbraw/zinc/83/43/96/566834396.db2.gz OJONLTGKGSAQMO-UHFFFAOYSA-N -1 3 384.129 3.157 10 5 GGBEHM O=C(Nc1cc(I)ccc1[O-])c1ccc([N+](=O)[O-])s1 ZINC000610490747 566836284 /nfs/dbraw/zinc/83/62/84/566836284.db2.gz XCDNPDCCVDDPLB-UHFFFAOYSA-N -1 3 390.158 3.219 10 5 GGBEHM CC(F)(F)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451611454 566850709 /nfs/dbraw/zinc/85/07/09/566850709.db2.gz WULVVKIHAZQQIM-UHFFFAOYSA-N -1 3 387.202 3.071 10 5 GGBEHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000610715790 566856078 /nfs/dbraw/zinc/85/60/78/566856078.db2.gz JRYRWUPOKXHXNR-CQSZACIVSA-N -1 3 376.862 3.122 10 5 GGBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000544714644 566985340 /nfs/dbraw/zinc/98/53/40/566985340.db2.gz LMEHVCVZFRJTSR-JTQLQIEISA-N -1 3 389.216 3.314 10 5 GGBEHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1c[n-]nc1-c1ccncc1 ZINC000520263023 566993778 /nfs/dbraw/zinc/99/37/78/566993778.db2.gz DJTYXUWDNHXZEC-UHFFFAOYSA-N -1 3 388.181 3.395 10 5 GGBEHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cn[n-]c1-c1ccncc1 ZINC000520263023 566993785 /nfs/dbraw/zinc/99/37/85/566993785.db2.gz DJTYXUWDNHXZEC-UHFFFAOYSA-N -1 3 388.181 3.395 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000584200400 567021152 /nfs/dbraw/zinc/02/11/52/567021152.db2.gz YHJLNEUYHDAWJQ-UHFFFAOYSA-N -1 3 378.431 3.297 10 5 GGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)c(Cl)cc2C(=O)OC)n1 ZINC000431164995 567062405 /nfs/dbraw/zinc/06/24/05/567062405.db2.gz BPTSOVRUTJREQR-UHFFFAOYSA-N -1 3 387.179 3.157 10 5 GGBEHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000497412638 567094735 /nfs/dbraw/zinc/09/47/35/567094735.db2.gz SILKQRNWRNZLRP-LLVKDONJSA-N -1 3 384.841 3.166 10 5 GGBEHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(Br)cc1[O-] ZINC000431901304 567115879 /nfs/dbraw/zinc/11/58/79/567115879.db2.gz IEJINNNXJPTSIG-UHFFFAOYSA-N -1 3 379.210 3.264 10 5 GGBEHM Cc1c(Br)cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144504 567117266 /nfs/dbraw/zinc/11/72/66/567117266.db2.gz LPJWCIJLHSSBPB-LLVKDONJSA-N -1 3 399.213 3.132 10 5 GGBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)cc1C ZINC000590764522 567246085 /nfs/dbraw/zinc/24/60/85/567246085.db2.gz IAFMKQAADDBTQF-UHFFFAOYSA-N -1 3 378.397 3.040 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000433445143 567250840 /nfs/dbraw/zinc/25/08/40/567250840.db2.gz ASARLZYLYPWGCR-UHFFFAOYSA-N -1 3 392.767 3.014 10 5 GGBEHM COc1ccccc1C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000592070118 567313270 /nfs/dbraw/zinc/31/32/70/567313270.db2.gz HMEPSMCELULSEP-UHFFFAOYSA-N -1 3 382.825 3.224 10 5 GGBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000548864736 567356487 /nfs/dbraw/zinc/35/64/87/567356487.db2.gz QDICVYFSOMXRCT-UHFFFAOYSA-N -1 3 377.344 3.010 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCc2ccc(Cl)s2)nc1 ZINC000593592104 567426547 /nfs/dbraw/zinc/42/65/47/567426547.db2.gz FCOOHXVOOARTCJ-UHFFFAOYSA-N -1 3 375.859 3.006 10 5 GGBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000619500430 567460985 /nfs/dbraw/zinc/46/09/85/567460985.db2.gz VWOFLUUJGQDFGD-UHFFFAOYSA-N -1 3 392.767 3.014 10 5 GGBEHM COc1ccc(S(=O)(=O)[N-][C@H](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000594486125 567480377 /nfs/dbraw/zinc/48/03/77/567480377.db2.gz DHLXLOPWPAXJNS-SNVBAGLBSA-N -1 3 378.397 3.096 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C1CCC(F)(F)CC1 ZINC000594486465 567480636 /nfs/dbraw/zinc/48/06/36/567480636.db2.gz GFOSJZZWPKYRBK-SNVBAGLBSA-N -1 3 378.397 3.096 10 5 GGBEHM Cc1nc(C)c(CCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000551333109 567497641 /nfs/dbraw/zinc/49/76/41/567497641.db2.gz VBSXJSOBCMHYEQ-UHFFFAOYSA-N -1 3 395.213 3.041 10 5 GGBEHM O=C([N-]c1cnc(CC2CC2)nc1)c1sc(Br)cc1[N+](=O)[O-] ZINC000551351538 567498990 /nfs/dbraw/zinc/49/89/90/567498990.db2.gz ZHAFVAUBVATEMY-UHFFFAOYSA-N -1 3 383.227 3.414 10 5 GGBEHM C[C@]1(CC[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(F)F ZINC000594855476 567520649 /nfs/dbraw/zinc/52/06/49/567520649.db2.gz CLBOEEMKNGXOOU-NSHDSACASA-N -1 3 399.213 3.071 10 5 GGBEHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1(F)F ZINC000595353037 567558023 /nfs/dbraw/zinc/55/80/23/567558023.db2.gz PPVFDHQHTKIZCX-SNVBAGLBSA-N -1 3 388.314 3.183 10 5 GGBEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000595363888 567559218 /nfs/dbraw/zinc/55/92/18/567559218.db2.gz LAQDURSGVPRZOD-ZDUSSCGKSA-N -1 3 377.260 3.070 10 5 GGBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000595381294 567560453 /nfs/dbraw/zinc/56/04/53/567560453.db2.gz VQMSNPWLMBMFMP-UHOFOFEASA-N -1 3 382.800 3.004 10 5 GGBEHM COc1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc(OC)c1[O-] ZINC000552398272 567587060 /nfs/dbraw/zinc/58/70/60/567587060.db2.gz IUXISVGSGSSXPP-UHFFFAOYSA-N -1 3 397.181 3.332 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000552505778 567593714 /nfs/dbraw/zinc/59/37/14/567593714.db2.gz QQXFGFZPFGRRMO-UHFFFAOYSA-N -1 3 378.431 3.297 10 5 GGBEHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccc(F)cc2O1 ZINC000481074002 567657427 /nfs/dbraw/zinc/65/74/27/567657427.db2.gz NMCWLHBPONMCKR-LLVKDONJSA-N -1 3 386.426 3.376 10 5 GGBEHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1ccccc1SCC(N)=O ZINC000460471826 567690865 /nfs/dbraw/zinc/69/08/65/567690865.db2.gz MSAAORIGLKAXEK-UHFFFAOYSA-N -1 3 379.825 3.386 10 5 GGBEHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000443197519 567738834 /nfs/dbraw/zinc/73/88/34/567738834.db2.gz LNDZXGWTPKGACR-CYBMUJFWSA-N -1 3 378.303 3.158 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c(Br)c1 ZINC000533007189 567746799 /nfs/dbraw/zinc/74/67/99/567746799.db2.gz SFJXGQKMXKYIHZ-QMMMGPOBSA-N -1 3 399.213 3.214 10 5 GGBEHM CCOc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443721401 567772619 /nfs/dbraw/zinc/77/26/19/567772619.db2.gz SXWZETWSYPQHAJ-UHFFFAOYSA-N -1 3 376.843 3.187 10 5 GGBEHM C[C@H]([N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000100491828 570373341 /nfs/dbraw/zinc/37/33/41/570373341.db2.gz DSFKHWCXCVDYDL-QMMMGPOBSA-N -1 3 377.269 3.493 10 5 GGBEHM O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1[O-] ZINC000170593723 570851285 /nfs/dbraw/zinc/85/12/85/570851285.db2.gz SPTRGNAREHQUGU-UHFFFAOYSA-N -1 3 382.328 3.356 10 5 GGBEHM CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([O-])cc1[N+](=O)[O-] ZINC000170595801 570853502 /nfs/dbraw/zinc/85/35/02/570853502.db2.gz UCWQMZPNDOEVOK-QGZVFWFLSA-N -1 3 383.448 3.285 10 5 GGBEHM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000040080050 205049425 /nfs/dbraw/zinc/04/94/25/205049425.db2.gz XLPFBHUHSPWGOQ-NSHDSACASA-N -1 3 381.392 3.252 10 5 GGBEHM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000040080048 205049985 /nfs/dbraw/zinc/04/99/85/205049985.db2.gz XLPFBHUHSPWGOQ-LLVKDONJSA-N -1 3 381.392 3.252 10 5 GGBEHM O=C(Nc1ccccc1)C(=S)[N-]CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000020523190 564307051 /nfs/dbraw/zinc/30/70/51/564307051.db2.gz RTSVJGSVSGDMHP-UHFFFAOYSA-N -1 3 378.841 3.216 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000021631726 564312223 /nfs/dbraw/zinc/31/22/23/564312223.db2.gz UEJVUKWDNXRBMD-UHFFFAOYSA-N -1 3 387.211 3.167 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccc(SC)cc1 ZINC000030365947 564379521 /nfs/dbraw/zinc/37/95/21/564379521.db2.gz NLWNGZLMXFMBNE-NSHDSACASA-N -1 3 382.463 3.365 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccc(SC)cc1 ZINC000030365950 564379817 /nfs/dbraw/zinc/37/98/17/564379817.db2.gz NLWNGZLMXFMBNE-LLVKDONJSA-N -1 3 382.463 3.365 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000030379451 564379959 /nfs/dbraw/zinc/37/99/59/564379959.db2.gz UXKNDCKSRLUGNY-VIFPVBQESA-N -1 3 384.797 3.016 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]CCCCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000123474337 564449674 /nfs/dbraw/zinc/44/96/74/564449674.db2.gz FSBSFXSMZLTHHV-UHFFFAOYSA-N -1 3 384.479 3.240 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(OC(F)F)c1 ZINC000066333490 564762246 /nfs/dbraw/zinc/76/22/46/564762246.db2.gz SBZYWGFNWIAKFX-QMMMGPOBSA-N -1 3 378.378 3.297 10 5 GGBEHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000133114363 564763957 /nfs/dbraw/zinc/76/39/57/564763957.db2.gz XPZLXINRYJNJTA-VHSXEESVSA-N -1 3 384.351 3.442 10 5 GGBEHM COc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000150782483 564890265 /nfs/dbraw/zinc/89/02/65/564890265.db2.gz JTCWTBOPEQYJOV-ZJUUUORDSA-N -1 3 382.360 3.003 10 5 GGBEHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000156019398 565074037 /nfs/dbraw/zinc/07/40/37/565074037.db2.gz VSIVOBQZMLJRSP-UHFFFAOYSA-N -1 3 387.845 3.148 10 5 GGBEHM CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000156181556 565075690 /nfs/dbraw/zinc/07/56/90/565075690.db2.gz YWRFUUHOYABLDY-UHFFFAOYSA-N -1 3 376.456 3.137 10 5 GGBEHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)sc1C ZINC000184789387 565156766 /nfs/dbraw/zinc/15/67/66/565156766.db2.gz PANORCPZQSIINM-UHFFFAOYSA-N -1 3 387.458 3.329 10 5 GGBEHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000159952922 565224660 /nfs/dbraw/zinc/22/46/60/565224660.db2.gz XECOROVJRUJSFH-NSHDSACASA-N -1 3 375.859 3.443 10 5 GGBEHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000159953064 565224777 /nfs/dbraw/zinc/22/47/77/565224777.db2.gz XECOROVJRUJSFH-LLVKDONJSA-N -1 3 375.859 3.443 10 5 GGBEHM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cs1 ZINC000163348360 565343775 /nfs/dbraw/zinc/34/37/75/565343775.db2.gz HAUNSQZJVALYGV-UHFFFAOYSA-N -1 3 395.384 3.111 10 5 GGBEHM COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc([O-])c(Br)c2)c1 ZINC000302201729 565537222 /nfs/dbraw/zinc/53/72/22/565537222.db2.gz VLHXWYZUBPDFHW-UHFFFAOYSA-N -1 3 381.182 3.462 10 5 GGBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cccc2[nH]ccc21 ZINC000409921440 565649992 /nfs/dbraw/zinc/64/99/92/565649992.db2.gz HPZXNDOLMQPVOR-UHFFFAOYSA-N -1 3 379.825 3.251 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000414458796 565935803 /nfs/dbraw/zinc/93/58/03/565935803.db2.gz YSNYNBIKLRSIKP-LLVKDONJSA-N -1 3 395.384 3.250 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000180291267 566052248 /nfs/dbraw/zinc/05/22/48/566052248.db2.gz KPSIDFFXPYWOMB-UHFFFAOYSA-N -1 3 378.193 3.106 10 5 GGBEHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C2CC2)s1 ZINC000416405051 566063732 /nfs/dbraw/zinc/06/37/32/566063732.db2.gz AYUNILOFEMNDJI-OAHLLOKOSA-N -1 3 381.479 3.406 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CCC2)c(Cl)c1 ZINC000599411458 566262210 /nfs/dbraw/zinc/26/22/10/566262210.db2.gz IWGVDQKODOOYBA-MRXNPFEDSA-N -1 3 381.841 3.463 10 5 GGBEHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(OC)c1 ZINC000599430120 566264433 /nfs/dbraw/zinc/26/44/33/566264433.db2.gz XAAHSKAXJABSAE-VIFPVBQESA-N -1 3 386.451 3.021 10 5 GGBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2cc(Cl)ccc21 ZINC000599452507 566266524 /nfs/dbraw/zinc/26/65/24/566266524.db2.gz QTHDKUJDOHTFGF-ZDUSSCGKSA-N -1 3 382.825 3.223 10 5 GGBEHM O=C([N-]c1ccc2nc[nH]c(=O)c2c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446027690 566324316 /nfs/dbraw/zinc/32/43/16/566324316.db2.gz GHQNIKWTLPGWMP-UHFFFAOYSA-N -1 3 395.194 3.320 10 5 GGBEHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000600283107 566331153 /nfs/dbraw/zinc/33/11/53/566331153.db2.gz XYOWHMIXIFQPBY-UHFFFAOYSA-N -1 3 390.193 3.150 10 5 GGBEHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000600838758 566369382 /nfs/dbraw/zinc/36/93/82/566369382.db2.gz QQKHZSQQCRODGV-UHFFFAOYSA-N -1 3 390.193 3.150 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000576895287 566387670 /nfs/dbraw/zinc/38/76/70/566387670.db2.gz LSLPNGVGHPXFDZ-SECBINFHSA-N -1 3 375.328 3.048 10 5 GGBEHM COc1cc2c(cc1F)CC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000510628041 566400530 /nfs/dbraw/zinc/40/05/30/566400530.db2.gz 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Cc1sc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000467051033 566621370 /nfs/dbraw/zinc/62/13/70/566621370.db2.gz ZGTKOTINNKGFRL-UHFFFAOYSA-N -1 3 390.870 3.113 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000467077315 566624602 /nfs/dbraw/zinc/62/46/02/566624602.db2.gz BCGLUZLZQJHITN-LYGAQUJYSA-N -1 3 382.463 3.196 10 5 GGBEHM CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467086628 566626055 /nfs/dbraw/zinc/62/60/55/566626055.db2.gz VTQWKHSKBGITPH-UHFFFAOYSA-N -1 3 390.483 3.445 10 5 GGBEHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(I)ccc1[O-] ZINC000610486148 566834350 /nfs/dbraw/zinc/83/43/50/566834350.db2.gz NEPNSBLLIYLEGK-UHFFFAOYSA-N -1 3 398.156 3.466 10 5 GGBEHM CCSc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000490435209 566850280 /nfs/dbraw/zinc/85/02/80/566850280.db2.gz IOZKTTRMJDSYEW-UHFFFAOYSA-N -1 3 382.463 3.194 10 5 GGBEHM Cc1csc(C2([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])CCC2)n1 ZINC000610800321 566865336 /nfs/dbraw/zinc/86/53/36/566865336.db2.gz IIIDVLQKYZRCNT-UHFFFAOYSA-N -1 3 381.479 3.334 10 5 GGBEHM COc1c(Br)cc(Cl)cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000543718144 566905684 /nfs/dbraw/zinc/90/56/84/566905684.db2.gz PNMYXQOHGCLZQE-UHFFFAOYSA-N -1 3 389.593 3.005 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000520156998 566987715 /nfs/dbraw/zinc/98/77/15/566987715.db2.gz QMUAOLVYGSAGBQ-UHFFFAOYSA-N -1 3 391.232 3.389 10 5 GGBEHM COC(=O)c1ccc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)o1 ZINC000431177115 567061433 /nfs/dbraw/zinc/06/14/33/567061433.db2.gz WYVVMIVYTLUWOV-UHFFFAOYSA-N -1 3 383.154 3.298 10 5 GGBEHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000497370864 567091993 /nfs/dbraw/zinc/09/19/93/567091993.db2.gz UYCYBTJICJHSAA-NSHDSACASA-N -1 3 384.841 3.166 10 5 GGBEHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(C(F)(F)F)n[n-]1 ZINC000566812962 567192987 /nfs/dbraw/zinc/19/29/87/567192987.db2.gz SDFAXWUKGKJYEW-UHFFFAOYSA-N -1 3 379.092 3.352 10 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567283059 /nfs/dbraw/zinc/28/30/59/567283059.db2.gz ZNINHFREIDXDOD-UHFFFAOYSA-N -1 3 377.300 3.340 10 5 GGBEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000592949877 567373624 /nfs/dbraw/zinc/37/36/24/567373624.db2.gz OIZOVCNLVXGCBU-UHFFFAOYSA-N -1 3 381.230 3.495 10 5 GGBEHM CC(C)(C)c1cc(Br)cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1[O-] ZINC000594382238 567473260 /nfs/dbraw/zinc/47/32/60/567473260.db2.gz SBHVWBLFASMECP-UHFFFAOYSA-N -1 3 383.202 3.336 10 5 GGBEHM CC(C)(C)c1cc(Br)cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1[O-] ZINC000594382723 567473313 /nfs/dbraw/zinc/47/33/13/567473313.db2.gz ZZAUWGFNBRGALJ-UHFFFAOYSA-N -1 3 383.202 3.336 10 5 GGBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C1CCC(F)(F)CC1 ZINC000594486219 567480839 /nfs/dbraw/zinc/48/08/39/567480839.db2.gz DTKHQSCUWYCULQ-JTQLQIEISA-N -1 3 378.397 3.096 10 5 GGBEHM CC(C)(C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(F)(F)F ZINC000594781056 567511704 /nfs/dbraw/zinc/51/17/04/567511704.db2.gz MTYYUAHDDXMSPQ-UHFFFAOYSA-N -1 3 377.344 3.010 10 5 GGBEHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000594857467 567520387 /nfs/dbraw/zinc/52/03/87/567520387.db2.gz LXWLPSPMUSKKOS-NSHDSACASA-N -1 3 388.314 3.327 10 5 GGBEHM C[C@@]1(CC[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1(F)F ZINC000594855475 567521202 /nfs/dbraw/zinc/52/12/02/567521202.db2.gz CLBOEEMKNGXOOU-LLVKDONJSA-N -1 3 399.213 3.071 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595352225 567557769 /nfs/dbraw/zinc/55/77/69/567557769.db2.gz ARRPWAALBAFGLK-CVEARBPZSA-N -1 3 384.479 3.001 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595352248 567557958 /nfs/dbraw/zinc/55/79/58/567557958.db2.gz ARRPWAALBAFGLK-JKSUJKDBSA-N -1 3 384.479 3.001 10 5 GGBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000595381291 567560657 /nfs/dbraw/zinc/56/06/57/567560657.db2.gz VQMSNPWLMBMFMP-APHBMKBZSA-N -1 3 382.800 3.004 10 5 GGBEHM O=[N+]([O-])c1ccc2[nH]cc(CC[N-]S(=O)(=O)c3ccc(Cl)s3)c2c1 ZINC000571678754 567580831 /nfs/dbraw/zinc/58/08/31/567580831.db2.gz WABRNDYFAYVXLU-UHFFFAOYSA-N -1 3 385.854 3.312 10 5 GGBEHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1OC ZINC000553569362 567667495 /nfs/dbraw/zinc/66/74/95/567667495.db2.gz CHKDHVNIUAONBI-SNVBAGLBSA-N -1 3 386.451 3.021 10 5 GGBEHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000531635991 567669903 /nfs/dbraw/zinc/66/99/03/567669903.db2.gz HDYWLUSIPWKDLE-UHFFFAOYSA-N -1 3 378.175 3.361 10 5 GGBEHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000460461082 567689184 /nfs/dbraw/zinc/68/91/84/567689184.db2.gz KMKCFRRYJFYUKM-UHFFFAOYSA-N -1 3 386.788 3.352 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000442915738 567716920 /nfs/dbraw/zinc/71/69/20/567716920.db2.gz SAOLLFOZAKKSEO-SECBINFHSA-N -1 3 375.328 3.048 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(Br)c1 ZINC000533007188 567747354 /nfs/dbraw/zinc/74/73/54/567747354.db2.gz SFJXGQKMXKYIHZ-MRVPVSSYSA-N -1 3 399.213 3.214 10 5 GGBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N(Cc1ccccc1)c1ccccc1 ZINC000003287362 1398332188 /nfs/dbraw/zinc/33/21/88/1398332188.db2.gz GCYNOOCBZUTKPM-UHFFFAOYSA-N -1 3 383.429 3.495 10 5 GGBEHM Cc1c(C(=O)OCc2nc(=O)c3c4c(sc3[n-]2)CCCC4)cccc1[N+](=O)[O-] ZINC000003303024 1398333842 /nfs/dbraw/zinc/33/38/42/1398333842.db2.gz GLGNQESBINDGDN-UHFFFAOYSA-N -1 3 399.428 3.437 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 ZINC000078876386 208065330 /nfs/dbraw/zinc/06/53/30/208065330.db2.gz JJAGUSUGILIBSB-JTQLQIEISA-N -1 3 385.239 3.397 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(N2CCCC2)c1 ZINC000119134042 564256177 /nfs/dbraw/zinc/25/61/77/564256177.db2.gz ZNJKKUGLFHWVBG-LBPRGKRZSA-N -1 3 381.479 3.296 10 5 GGBEHM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(F)cc1F ZINC000012776698 564270271 /nfs/dbraw/zinc/27/02/71/564270271.db2.gz OBATZHKXOPTIID-UHFFFAOYSA-N -1 3 393.711 3.235 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000028048044 564359779 /nfs/dbraw/zinc/35/97/79/564359779.db2.gz VDDOHOKAYOFKSA-SNVBAGLBSA-N -1 3 385.239 3.397 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000028048047 564359802 /nfs/dbraw/zinc/35/98/02/564359802.db2.gz VDDOHOKAYOFKSA-JTQLQIEISA-N -1 3 385.239 3.397 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000122544158 564418023 /nfs/dbraw/zinc/41/80/23/564418023.db2.gz BVIBNAZVLQXDLT-UHFFFAOYSA-N -1 3 382.825 3.224 10 5 GGBEHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000047543416 564522936 /nfs/dbraw/zinc/52/29/36/564522936.db2.gz WLZGUWSLHOFDJC-SECBINFHSA-N -1 3 388.804 3.435 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)c(Cl)c1 ZINC000125722218 564524601 /nfs/dbraw/zinc/52/46/01/564524601.db2.gz AKGBBWJCVVWSPL-UHFFFAOYSA-N -1 3 384.845 3.038 10 5 GGBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCc2cc(Cl)ccc21 ZINC000057021859 564657916 /nfs/dbraw/zinc/65/79/16/564657916.db2.gz KOFGEXVJRYRVFI-AWEZNQCLSA-N -1 3 382.825 3.223 10 5 GGBEHM Cc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000133114628 564763588 /nfs/dbraw/zinc/76/35/88/564763588.db2.gz XPZLXINRYJNJTA-NXEZZACHSA-N -1 3 384.351 3.442 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000069870572 564846263 /nfs/dbraw/zinc/84/62/63/564846263.db2.gz BIYKOHWJDZCTMJ-UHFFFAOYSA-N -1 3 382.825 3.224 10 5 GGBEHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C(F)(F)F)c1 ZINC000102412206 564929289 /nfs/dbraw/zinc/92/92/89/564929289.db2.gz CHHYVASUQYWFFD-UHFFFAOYSA-N -1 3 396.368 3.162 10 5 GGBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)c1nccs1 ZINC000185674074 565214895 /nfs/dbraw/zinc/21/48/95/565214895.db2.gz AUZZKMHZIYNXBB-NSHDSACASA-N -1 3 378.435 3.029 10 5 GGBEHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000273569904 565326160 /nfs/dbraw/zinc/32/61/60/565326160.db2.gz IDVCSAYWUUJPND-UHFFFAOYSA-N -1 3 384.165 3.134 10 5 GGBEHM O=[N+]([O-])c1cc(Br)cnc1[N-]c1cnn(CCN2CCCCC2)c1 ZINC000301957390 565521009 /nfs/dbraw/zinc/52/10/09/565521009.db2.gz MYKCPSWFKGIJJM-UHFFFAOYSA-N -1 3 395.261 3.178 10 5 GGBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3sc(C)nc3C)cs2)n1 ZINC000191540118 565611815 /nfs/dbraw/zinc/61/18/15/565611815.db2.gz RQKGPYRDPDLSPL-UHFFFAOYSA-N -1 3 378.439 3.260 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc3[nH]ccc32)c(Cl)c1 ZINC000409929721 565649941 /nfs/dbraw/zinc/64/99/41/565649941.db2.gz RSTUOFHOCFWQSE-UHFFFAOYSA-N -1 3 379.825 3.251 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1Cl ZINC000177579183 565861268 /nfs/dbraw/zinc/86/12/68/565861268.db2.gz AUMVMIVXLDKMPL-VIFPVBQESA-N -1 3 388.804 3.435 10 5 GGBEHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180196530 566043070 /nfs/dbraw/zinc/04/30/70/566043070.db2.gz MVNOIJOCAWGBRH-SECBINFHSA-N -1 3 387.845 3.243 10 5 GGBEHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C2CC2)s1 ZINC000416405049 566063409 /nfs/dbraw/zinc/06/34/09/566063409.db2.gz AYUNILOFEMNDJI-HNNXBMFYSA-N -1 3 381.479 3.406 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000180663587 566080745 /nfs/dbraw/zinc/08/07/45/566080745.db2.gz SQMGCJRMSNLPPK-UHFFFAOYSA-N -1 3 378.740 3.336 10 5 GGBEHM Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(OCC2CC2)c1 ZINC000447144262 566390279 /nfs/dbraw/zinc/39/02/79/566390279.db2.gz LPIFBSMBMIVIJN-UHFFFAOYSA-N -1 3 382.463 3.232 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000601386134 566402815 /nfs/dbraw/zinc/40/28/15/566402815.db2.gz XDXPDSOSTPXLDP-ZFWWWQNUSA-N -1 3 382.463 3.021 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000601393245 566405071 /nfs/dbraw/zinc/40/50/71/566405071.db2.gz DNMORMKQBPCSKX-KGLIPLIRSA-N -1 3 382.463 3.163 10 5 GGBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCOc2c(Cl)cccc21 ZINC000537181686 566429066 /nfs/dbraw/zinc/42/90/66/566429066.db2.gz JLLAHHOXPIYDBL-CYBMUJFWSA-N -1 3 382.825 3.440 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(N3CCCCC3)CCCCC2)s1 ZINC000512543190 566542660 /nfs/dbraw/zinc/54/26/60/566542660.db2.gz APAOUXOLIMFGCC-UHFFFAOYSA-N -1 3 387.527 3.123 10 5 GGBEHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCC2=CCCC2)c1 ZINC000513156704 566585812 /nfs/dbraw/zinc/58/58/12/566585812.db2.gz VTIMYIZRHFYKQY-UHFFFAOYSA-N -1 3 375.244 3.136 10 5 GGBEHM Cc1cc(C(F)(F)F)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000466744462 566595980 /nfs/dbraw/zinc/59/59/80/566595980.db2.gz FAKVRUUGLVOCLW-UHFFFAOYSA-N -1 3 380.369 3.462 10 5 GGBEHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c1 ZINC000486684717 566612144 /nfs/dbraw/zinc/61/21/44/566612144.db2.gz SQXWDUJQDKJDHM-VIFPVBQESA-N -1 3 399.213 3.214 10 5 GGBEHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c1 ZINC000486684712 566612842 /nfs/dbraw/zinc/61/28/42/566612842.db2.gz SQXWDUJQDKJDHM-SECBINFHSA-N -1 3 399.213 3.214 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000467077317 566623565 /nfs/dbraw/zinc/62/35/65/566623565.db2.gz BCGLUZLZQJHITN-YNHOBRIKSA-N -1 3 382.463 3.196 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000467073927 566624276 /nfs/dbraw/zinc/62/42/76/566624276.db2.gz SIXIEQKMAOTJSC-MRVPVSSYSA-N -1 3 376.406 3.325 10 5 GGBEHM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467406076 566644707 /nfs/dbraw/zinc/64/47/07/566644707.db2.gz OVGBRQKUTHFISD-SECBINFHSA-N -1 3 386.451 3.021 10 5 GGBEHM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467406207 566645018 /nfs/dbraw/zinc/64/50/18/566645018.db2.gz OVGBRQKUTHFISD-VIFPVBQESA-N -1 3 386.451 3.021 10 5 GGBEHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(F)cc2nn[n-]c21 ZINC000560798314 566660207 /nfs/dbraw/zinc/66/02/07/566660207.db2.gz WGFMLRWGMXSNSC-UHFFFAOYSA-N -1 3 380.133 3.020 10 5 GGBEHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(F)cc2[n-]nnc21 ZINC000560798314 566660212 /nfs/dbraw/zinc/66/02/12/566660212.db2.gz WGFMLRWGMXSNSC-UHFFFAOYSA-N -1 3 380.133 3.020 10 5 GGBEHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(F)cc2n[n-]nc21 ZINC000560798314 566660217 /nfs/dbraw/zinc/66/02/17/566660217.db2.gz WGFMLRWGMXSNSC-UHFFFAOYSA-N -1 3 380.133 3.020 10 5 GGBEHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCC2CCCC2)c1 ZINC000609418097 566763358 /nfs/dbraw/zinc/76/33/58/566763358.db2.gz NIYLATWRIGFCRZ-UHFFFAOYSA-N -1 3 377.260 3.216 10 5 GGBEHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c1 ZINC000609417920 566763771 /nfs/dbraw/zinc/76/37/71/566763771.db2.gz IUYMBXTXMAZFNU-UHFFFAOYSA-N -1 3 395.618 3.082 10 5 GGBEHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2CCCCC2)c1 ZINC000609420350 566763924 /nfs/dbraw/zinc/76/39/24/566763924.db2.gz BYBCQRLAJOZKCI-UHFFFAOYSA-N -1 3 377.260 3.216 10 5 GGBEHM Cc1cc(Br)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609542629 566769694 /nfs/dbraw/zinc/76/96/94/566769694.db2.gz PTGVKIPSEJTCTD-UHFFFAOYSA-N -1 3 391.268 3.206 10 5 GGBEHM Cc1cc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(C)c1O ZINC000469222752 566773424 /nfs/dbraw/zinc/77/34/24/566773424.db2.gz XSHHVBIVQHMXAF-UHFFFAOYSA-N -1 3 384.841 3.092 10 5 GGBEHM Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1[N+](=O)[O-] ZINC000610485927 566834323 /nfs/dbraw/zinc/83/43/23/566834323.db2.gz INSGDOYXICUEOB-UHFFFAOYSA-N -1 3 398.156 3.466 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCSc1ccccc1 ZINC000610502438 566838131 /nfs/dbraw/zinc/83/81/31/566838131.db2.gz BKOBHNLBFSTKJM-UHFFFAOYSA-N -1 3 382.463 3.064 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c(C(F)(F)F)c1 ZINC000610955556 566877665 /nfs/dbraw/zinc/87/76/65/566877665.db2.gz JTVXXFANNDPKCX-UHFFFAOYSA-N -1 3 384.719 3.339 10 5 GGBEHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(I)ccc1[O-] ZINC000611156883 566895502 /nfs/dbraw/zinc/89/55/02/566895502.db2.gz SMABZJJTPCHJIC-UHFFFAOYSA-N -1 3 398.156 3.086 10 5 GGBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000544714645 566985360 /nfs/dbraw/zinc/98/53/60/566985360.db2.gz LMEHVCVZFRJTSR-SNVBAGLBSA-N -1 3 389.216 3.314 10 5 GGBEHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000497370761 567091681 /nfs/dbraw/zinc/09/16/81/567091681.db2.gz UYCYBTJICJHSAA-LLVKDONJSA-N -1 3 384.841 3.166 10 5 GGBEHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000497412639 567095405 /nfs/dbraw/zinc/09/54/05/567095405.db2.gz SILKQRNWRNZLRP-NSHDSACASA-N -1 3 384.841 3.166 10 5 GGBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)c1C ZINC000590764624 567246182 /nfs/dbraw/zinc/24/61/82/567246182.db2.gz HPBQGLXBWKSXCJ-UHFFFAOYSA-N -1 3 378.397 3.040 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(Br)c1 ZINC000434774133 567327430 /nfs/dbraw/zinc/32/74/30/567327430.db2.gz GJKMNWFOXKMXCX-UHFFFAOYSA-N -1 3 389.271 3.358 10 5 GGBEHM CC(=O)Nc1nc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)cs1 ZINC000501310656 567380330 /nfs/dbraw/zinc/38/03/30/567380330.db2.gz UUFCCZOVUAMZBX-UHFFFAOYSA-N -1 3 385.199 3.025 10 5 GGBEHM O=C(Cc1ccc(Br)cc1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000477209685 567380827 /nfs/dbraw/zinc/38/08/27/567380827.db2.gz TVAFPOAICIVJLB-UHFFFAOYSA-N -1 3 377.194 3.195 10 5 GGBEHM C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000477275279 567386061 /nfs/dbraw/zinc/38/60/61/567386061.db2.gz QOISBWXRMSFNBI-JTQLQIEISA-N -1 3 379.210 3.483 10 5 GGBEHM O=C([N-]c1nc2ccccc2c(=O)[nH]1)c1sc(Br)cc1[N+](=O)[O-] ZINC000618648474 567406580 /nfs/dbraw/zinc/40/65/80/567406580.db2.gz DTYZHCZTANNXLK-UHFFFAOYSA-N -1 3 395.194 3.320 10 5 GGBEHM CC(C)(C)c1cc(Br)cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1[O-] ZINC000594381452 567472860 /nfs/dbraw/zinc/47/28/60/567472860.db2.gz KHLDYBIWGDFGCC-UHFFFAOYSA-N -1 3 397.229 3.196 10 5 GGBEHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000551305219 567496800 /nfs/dbraw/zinc/49/68/00/567496800.db2.gz LHSQEEMFQAJVRW-UHFFFAOYSA-N -1 3 382.218 3.265 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000504005539 567518056 /nfs/dbraw/zinc/51/80/56/567518056.db2.gz JLVHSHCQYZAMLK-UHFFFAOYSA-N -1 3 384.841 3.168 10 5 GGBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594870868 567523443 /nfs/dbraw/zinc/52/34/43/567523443.db2.gz QBMCVYCHRPMKIL-UHFFFAOYSA-N -1 3 380.800 3.495 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000595352246 567558173 /nfs/dbraw/zinc/55/81/73/567558173.db2.gz ARRPWAALBAFGLK-HZPDHXFCSA-N -1 3 384.479 3.001 10 5 GGBEHM CC([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)(C1CC1)C1CC1 ZINC000595360822 567558756 /nfs/dbraw/zinc/55/87/56/567558756.db2.gz MNLIMZLCIUSCLJ-UHFFFAOYSA-N -1 3 389.271 3.214 10 5 GGBEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000595363887 567558799 /nfs/dbraw/zinc/55/87/99/567558799.db2.gz LAQDURSGVPRZOD-CYBMUJFWSA-N -1 3 377.260 3.070 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C/c2ccccc2)c(Br)c1 ZINC000479884296 567566462 /nfs/dbraw/zinc/56/64/62/567566462.db2.gz GPHIUEKBXPFZGH-QPJJXVBHSA-N -1 3 397.250 3.349 10 5 GGBEHM Cc1c(CNC(=O)Cc2ccc(Br)cc2[O-])cccc1[N+](=O)[O-] ZINC000506178233 567613048 /nfs/dbraw/zinc/61/30/48/567613048.db2.gz IUMWSHQQGROWCW-UHFFFAOYSA-N -1 3 379.210 3.230 10 5 GGBEHM Cc1c(Br)cc(S(=O)(=O)[N-]CCC2(F)CCC2)cc1[N+](=O)[O-] ZINC000553886704 567695977 /nfs/dbraw/zinc/69/59/77/567695977.db2.gz NMAFTXPPXXBFPY-UHFFFAOYSA-N -1 3 395.250 3.226 10 5 GGBEHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598612568 567779370 /nfs/dbraw/zinc/77/93/70/567779370.db2.gz XNQSIVBCCXRNRV-NSHDSACASA-N -1 3 395.384 3.250 10 5 GGBEHM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000555353523 567779890 /nfs/dbraw/zinc/77/98/90/567779890.db2.gz UUVDPRBAJVFBEA-UHFFFAOYSA-N -1 3 393.237 3.307 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC000032869611 570864738 /nfs/dbraw/zinc/86/47/38/570864738.db2.gz KKBQQAIBELOZJT-UHFFFAOYSA-N -1 3 376.434 3.004 10 5 GGBEHM C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001660387349 1126264150 /nfs/dbraw/zinc/26/41/50/1126264150.db2.gz DYBSLOGJWXZDTG-KRWDZBQOSA-N -1 3 395.253 3.146 10 5 GGBEHM CCc1cc([N-]C(=O)c2cc(I)cc([N+](=O)[O-])c2)no1 ZINC000611223485 532721284 /nfs/dbraw/zinc/72/12/84/532721284.db2.gz JNLXLMRETONGQG-UHFFFAOYSA-N -1 3 387.133 3.002 10 5 GGBEHM O=C([O-])c1cccc(CN2CC([N+](=O)[O-])[C@@H](c3ccccc3Cl)CC2=O)c1 ZINC000072232742 211083652 /nfs/dbraw/zinc/08/36/52/211083652.db2.gz GQRKSWRCQHEQAK-WBVHZDCISA-N -1 3 388.807 3.200 10 5 GGBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccc(F)c(Cl)c1 ZINC000057022200 564657889 /nfs/dbraw/zinc/65/78/89/564657889.db2.gz KRDWOWJPCQSYRH-SECBINFHSA-N -1 3 388.804 3.435 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(OC(F)F)cc1 ZINC000064245198 564727510 /nfs/dbraw/zinc/72/75/10/564727510.db2.gz HKVCFZCXIMALMH-QMMMGPOBSA-N -1 3 378.378 3.297 10 5 GGBEHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000186335521 565256175 /nfs/dbraw/zinc/25/61/75/565256175.db2.gz OSJOBQBYSSNBAG-SSDOTTSWSA-N -1 3 394.833 3.497 10 5 GGBEHM O=C([N-]c1cccc(-c2nc[nH]n2)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000373112881 565270446 /nfs/dbraw/zinc/27/04/46/565270446.db2.gz QSSJKPQATYYPMM-UHFFFAOYSA-N -1 3 394.210 3.456 10 5 GGBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000163269625 565341197 /nfs/dbraw/zinc/34/11/97/565341197.db2.gz YWZMPFLRODNEML-MRVPVSSYSA-N -1 3 395.384 3.418 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000170794694 565393246 /nfs/dbraw/zinc/39/32/46/565393246.db2.gz VPMPZCQIMIRBSP-MRVPVSSYSA-N -1 3 391.268 3.458 10 5 GGBEHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000175620252 565712707 /nfs/dbraw/zinc/71/27/07/565712707.db2.gz IFNXDLBEOLFHFL-VIFPVBQESA-N -1 3 375.859 3.361 10 5 GGBEHM O=C([N-]c1nncn1C1CC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000285744377 565924504 /nfs/dbraw/zinc/92/45/04/565924504.db2.gz JOLPJRQQBSQYEO-UHFFFAOYSA-N -1 3 386.593 3.189 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c(Br)c1 ZINC000416499559 566076524 /nfs/dbraw/zinc/07/65/24/566076524.db2.gz BYJKSVDEWHBRFI-UHFFFAOYSA-N -1 3 399.213 3.071 10 5 GGBEHM COc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c([N+](=O)[O-])c1 ZINC000599502644 566270516 /nfs/dbraw/zinc/27/05/16/566270516.db2.gz CVVKIXUOHPYKIT-UHFFFAOYSA-N -1 3 382.360 3.004 10 5 GGBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000599502855 566270706 /nfs/dbraw/zinc/27/07/06/566270706.db2.gz JLJYRADXPLWLJO-UHFFFAOYSA-N -1 3 382.360 3.004 10 5 GGBEHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000462407544 566298064 /nfs/dbraw/zinc/29/80/64/566298064.db2.gz KLEZVJONKMGFLJ-SECBINFHSA-N -1 3 388.804 3.435 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)c(Cl)c1 ZINC000420706458 566305183 /nfs/dbraw/zinc/30/51/83/566305183.db2.gz LKFAVWZIQFWWBJ-SNVBAGLBSA-N -1 3 376.887 3.060 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)c(Cl)c1 ZINC000420706457 566305767 /nfs/dbraw/zinc/30/57/67/566305767.db2.gz LKFAVWZIQFWWBJ-JTQLQIEISA-N -1 3 376.887 3.060 10 5 GGBEHM C[C@](CO)(NCc1cccc([O-])c1Br)c1cccc([N+](=O)[O-])c1 ZINC000601148853 566393715 /nfs/dbraw/zinc/39/37/15/566393715.db2.gz GWPMUQYTQSPWCJ-MRXNPFEDSA-N -1 3 381.226 3.060 10 5 GGBEHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c1 ZINC000557659846 566405528 /nfs/dbraw/zinc/40/55/28/566405528.db2.gz OUYJULCWZPHRIR-CABCVRRESA-N -1 3 397.250 3.192 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC000558116044 566450068 /nfs/dbraw/zinc/45/00/68/566450068.db2.gz GKAJFYZSKWBLMU-UHFFFAOYSA-N -1 3 384.841 3.168 10 5 GGBEHM Cc1cc(C)c(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000559142004 566528380 /nfs/dbraw/zinc/52/83/80/566528380.db2.gz XDDMZPCDOGWVMM-LLVKDONJSA-N -1 3 395.384 3.250 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000467042381 566619911 /nfs/dbraw/zinc/61/99/11/566619911.db2.gz CFACTQWYNFLWHR-BBRMVZONSA-N -1 3 382.463 3.021 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000467077316 566623655 /nfs/dbraw/zinc/62/36/55/566623655.db2.gz BCGLUZLZQJHITN-XIZWVBILSA-N -1 3 382.463 3.196 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000486816554 566625386 /nfs/dbraw/zinc/62/53/86/566625386.db2.gz COTYVSHPDDPBCL-MRVPVSSYSA-N -1 3 395.384 3.251 10 5 GGBEHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(Br)c(F)c1 ZINC000426807713 566731698 /nfs/dbraw/zinc/73/16/98/566731698.db2.gz OUJJFXLDWYTSGQ-AWEZNQCLSA-N -1 3 397.200 3.282 10 5 GGBEHM Cc1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C)c1O ZINC000468845410 566737116 /nfs/dbraw/zinc/73/71/16/566737116.db2.gz FXJRBRACCXMCBZ-UHFFFAOYSA-N -1 3 384.841 3.092 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)c(Cl)c1 ZINC000609638537 566779033 /nfs/dbraw/zinc/77/90/33/566779033.db2.gz FRQJKHNVAAIKHJ-UHFFFAOYSA-N -1 3 377.809 3.275 10 5 GGBEHM Cc1csc(C2([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])CCC2)n1 ZINC000581978487 566819900 /nfs/dbraw/zinc/81/99/00/566819900.db2.gz GFLBCLLLEGVPGY-UHFFFAOYSA-N -1 3 381.479 3.334 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000489971897 566820724 /nfs/dbraw/zinc/82/07/24/566820724.db2.gz LTIJTSVEYPUDAG-LLVKDONJSA-N -1 3 378.397 3.097 10 5 GGBEHM Cc1csc(C2([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])CCC2)n1 ZINC000610431334 566830928 /nfs/dbraw/zinc/83/09/28/566830928.db2.gz DVVRDEYAQUAGAI-UHFFFAOYSA-N -1 3 381.479 3.334 10 5 GGBEHM O=C(Nc1cc(I)ccc1[O-])c1csc([N+](=O)[O-])c1 ZINC000610486338 566835235 /nfs/dbraw/zinc/83/52/35/566835235.db2.gz SBQHUSIMSJWLSF-UHFFFAOYSA-N -1 3 390.158 3.219 10 5 GGBEHM CC(F)(F)CCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000451604701 566848235 /nfs/dbraw/zinc/84/82/35/566848235.db2.gz BJVDPBPLDDRLLZ-UHFFFAOYSA-N -1 3 387.202 3.071 10 5 GGBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c(Br)c1 ZINC000610955531 566877972 /nfs/dbraw/zinc/87/79/72/566877972.db2.gz AUUYJWIQTVEAOR-UHFFFAOYSA-N -1 3 395.618 3.082 10 5 GGBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Br)c(F)cc2Cl)n1 ZINC000611543521 566927013 /nfs/dbraw/zinc/92/70/13/566927013.db2.gz OFYDHRGMYPNYQX-UHFFFAOYSA-N -1 3 377.557 3.136 10 5 GGBEHM O=C([N-]c1ccncc1Br)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612556715 566981813 /nfs/dbraw/zinc/98/18/13/566981813.db2.gz RBWANJMLKQCPCK-UHFFFAOYSA-N -1 3 390.115 3.445 10 5 GGBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)c1[N+](=O)[O-] ZINC000590764649 567246072 /nfs/dbraw/zinc/24/60/72/567246072.db2.gz MUFOCJLKIKSFHI-UHFFFAOYSA-N -1 3 378.397 3.040 10 5 GGBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000433439058 567249610 /nfs/dbraw/zinc/24/96/10/567249610.db2.gz GEIOCXZRSYRONM-UHFFFAOYSA-N -1 3 376.768 3.313 10 5 GGBEHM O=C([N-]c1ncc(C(F)(F)F)s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000475853019 567282013 /nfs/dbraw/zinc/28/20/13/567282013.db2.gz UBQGOMAFGLNPQM-UHFFFAOYSA-N -1 3 375.284 3.094 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(c2ccccc2Cl)CC1 ZINC000592067166 567312794 /nfs/dbraw/zinc/31/27/94/567312794.db2.gz PRNARZAMKWAKMT-UHFFFAOYSA-N -1 3 382.825 3.224 10 5 GGBEHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1coc(C2CCOCC2)n1 ZINC000501272729 567376249 /nfs/dbraw/zinc/37/62/49/567376249.db2.gz VMWPFAAOGGOTBW-UHFFFAOYSA-N -1 3 396.197 3.492 10 5 GGBEHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cc(C(C)(C)C)c2[O-])n1 ZINC000594381962 567472886 /nfs/dbraw/zinc/47/28/86/567472886.db2.gz RKNQFHRLFHOSKL-UHFFFAOYSA-N -1 3 397.229 3.346 10 5 GGBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C1CCC(F)(F)CC1 ZINC000594486221 567480742 /nfs/dbraw/zinc/48/07/42/567480742.db2.gz DTKHQSCUWYCULQ-SNVBAGLBSA-N -1 3 378.397 3.096 10 5 GGBEHM CCCN(CCC)S(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000551472972 567508817 /nfs/dbraw/zinc/50/88/17/567508817.db2.gz BJAHPMXZBYHEQF-UHFFFAOYSA-N -1 3 380.264 3.136 10 5 GGBEHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(OC3CC3)c2F)cc1[N+](=O)[O-] ZINC000594839739 567519304 /nfs/dbraw/zinc/51/93/04/567519304.db2.gz SBPOWUOTTGVUPW-UHFFFAOYSA-N -1 3 386.426 3.124 10 5 GGBEHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000594857429 567521164 /nfs/dbraw/zinc/52/11/64/567521164.db2.gz LXWLPSPMUSKKOS-LLVKDONJSA-N -1 3 388.314 3.327 10 5 GGBEHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000594860331 567522525 /nfs/dbraw/zinc/52/25/25/567522525.db2.gz AYXCCQVRNJTDCG-CYBMUJFWSA-N -1 3 377.260 3.214 10 5 GGBEHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1(F)F ZINC000595353035 567558290 /nfs/dbraw/zinc/55/82/90/567558290.db2.gz PPVFDHQHTKIZCX-JTQLQIEISA-N -1 3 388.314 3.183 10 5 GGBEHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(Br)cc1[O-] ZINC000552106896 567559370 /nfs/dbraw/zinc/55/93/70/567559370.db2.gz UQEPKHWIGDZINM-UHFFFAOYSA-N -1 3 393.237 3.307 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cscn1 ZINC000572423657 567638450 /nfs/dbraw/zinc/63/84/50/567638450.db2.gz GRTZEGWQABGGGI-ZETCQYMHSA-N -1 3 381.357 3.110 10 5 GGBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(Br)c(Cl)c2)n1 ZINC000553314007 567643027 /nfs/dbraw/zinc/64/30/27/567643027.db2.gz OLKMLOPZSHVJKK-UHFFFAOYSA-N -1 3 377.557 3.136 10 5 GGBEHM Cc1cc(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)c(Cl)cc1F ZINC000532374602 567712631 /nfs/dbraw/zinc/71/26/31/567712631.db2.gz OSQWQQYRNCJEGD-UHFFFAOYSA-N -1 3 388.804 3.053 10 5 GGBEHM C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000442915739 567717805 /nfs/dbraw/zinc/71/78/05/567717805.db2.gz SAOLLFOZAKKSEO-VIFPVBQESA-N -1 3 375.328 3.048 10 5 GGBEHM O=c1c2c[n-]nc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1F ZINC000004660637 570810642 /nfs/dbraw/zinc/81/06/42/570810642.db2.gz SBFFPFNTIOLLPR-UHFFFAOYSA-N -1 3 397.391 3.448 10 5 GGBEHM O=c1c2cn[n-]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1F ZINC000004660637 570810644 /nfs/dbraw/zinc/81/06/44/570810644.db2.gz SBFFPFNTIOLLPR-UHFFFAOYSA-N -1 3 397.391 3.448 10 5 GGBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccn(C2CCCC2)n1 ZINC000125676742 564522840 /nfs/dbraw/zinc/52/28/40/564522840.db2.gz JPJFMMCUIXLHCW-UHFFFAOYSA-N -1 3 384.845 3.038 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000057021790 564657236 /nfs/dbraw/zinc/65/72/36/564657236.db2.gz SPKDFPULNVCYCR-CQSZACIVSA-N -1 3 382.825 3.223 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2cc(Cl)ccc21 ZINC000057021791 564657364 /nfs/dbraw/zinc/65/73/64/564657364.db2.gz SPKDFPULNVCYCR-AWEZNQCLSA-N -1 3 382.825 3.223 10 5 GGBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccc(F)c(Cl)c1 ZINC000057022138 564657819 /nfs/dbraw/zinc/65/78/19/564657819.db2.gz CFXNSORRDFBDCW-SECBINFHSA-N -1 3 388.804 3.435 10 5 GGBEHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064243774 564727212 /nfs/dbraw/zinc/72/72/12/564727212.db2.gz NYIRUFHUUOABGE-AWEZNQCLSA-N -1 3 383.495 3.018 10 5 GGBEHM COc1ccc2cc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)ccc2c1 ZINC000064244950 564727464 /nfs/dbraw/zinc/72/74/64/564727464.db2.gz UOAXCYPOVCYZMR-UHFFFAOYSA-N -1 3 378.431 3.297 10 5 GGBEHM COc1cc(C)c([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000066333449 564762313 /nfs/dbraw/zinc/76/23/13/564762313.db2.gz LLVHXWSXYYCXCE-SNVBAGLBSA-N -1 3 386.451 3.021 10 5 GGBEHM COc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000150782462 564889926 /nfs/dbraw/zinc/88/99/26/564889926.db2.gz JTCWTBOPEQYJOV-NXEZZACHSA-N -1 3 382.360 3.003 10 5 GGBEHM Cc1csc(C2([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CCCC2)n1 ZINC000153782266 565010820 /nfs/dbraw/zinc/01/08/20/565010820.db2.gz YJKHZZDBMBBXGM-UHFFFAOYSA-N -1 3 381.479 3.249 10 5 GGBEHM CO[C@@H](C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl 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GGBEHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3C)CCC2)n1 ZINC000598606304 567778596 /nfs/dbraw/zinc/77/85/96/567778596.db2.gz ZLXCUEQHORKNOF-UHFFFAOYSA-N -1 3 381.479 3.334 10 5 GGBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)cc1 ZINC000443937248 567781290 /nfs/dbraw/zinc/78/12/90/567781290.db2.gz NBAISXPTSUSBNI-MRVPVSSYSA-N -1 3 391.268 3.458 10 5 GGBEHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000555412701 567781920 /nfs/dbraw/zinc/78/19/20/567781920.db2.gz ISZGMAQWYOCWMI-LLVKDONJSA-N -1 3 395.384 3.250 10 5 GGBEHM C[C@@H]([N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000100491830 570373406 /nfs/dbraw/zinc/37/34/06/570373406.db2.gz DSFKHWCXCVDYDL-MRVPVSSYSA-N -1 3 377.269 3.493 10 5 GGBEHM