smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000029433783 551126535 /nfs/dbraw/zinc/12/65/35/551126535.db2.gz VOBWBOAGRGKZFW-UHFFFAOYSA-N 0 2 389.792 2.592 20 5 GFBDLN CNC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000121345112 551232264 /nfs/dbraw/zinc/23/22/64/551232264.db2.gz XDMWSQYCWIBEHJ-UHFFFAOYSA-N 0 2 383.813 2.717 20 5 GFBDLN Cc1cc(I)cnc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000164295501 551625006 /nfs/dbraw/zinc/62/50/06/551625006.db2.gz JWBNNKDWROFJGG-UHFFFAOYSA-N 0 2 399.144 2.861 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc3c(s2)COCC3)cc1[N+](=O)[O-] ZINC000172316136 551676144 /nfs/dbraw/zinc/67/61/44/551676144.db2.gz GRPHMQFWEFFUHA-UHFFFAOYSA-N 0 2 389.842 2.887 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000191796954 552538278 /nfs/dbraw/zinc/53/82/78/552538278.db2.gz NUZKFVZTSHDKSA-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376824683 563455555 /nfs/dbraw/zinc/45/55/55/563455555.db2.gz XUTMRDMZOWGGGP-UHFFFAOYSA-N 0 2 376.375 2.578 20 5 GFBDLN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000331991707 563570450 /nfs/dbraw/zinc/57/04/50/563570450.db2.gz ZNQSPJWVQFADDQ-NSHDSACASA-N 0 2 396.201 2.548 20 5 GFBDLN O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436805239 563680311 /nfs/dbraw/zinc/68/03/11/563680311.db2.gz RFBNEDFMWJRLGA-CYBMUJFWSA-N 0 2 399.172 2.665 20 5 GFBDLN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1I ZINC000436846856 563681877 /nfs/dbraw/zinc/68/18/77/563681877.db2.gz YSVQDFREXAUWSV-UHFFFAOYSA-N 0 2 399.144 2.861 20 5 GFBDLN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc([N+](=O)[O-])cc1Br ZINC000367937979 563859699 /nfs/dbraw/zinc/85/96/99/563859699.db2.gz WOPBYEDOIPUYBH-UHFFFAOYSA-N 0 2 389.169 2.790 20 5 GFBDLN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1[C@@H]1CCOC1 ZINC000451100707 564275174 /nfs/dbraw/zinc/27/51/74/564275174.db2.gz WVLJOQSTDZOMGD-LLVKDONJSA-N 0 2 386.817 2.515 20 5 GFBDLN CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000451719211 564343331 /nfs/dbraw/zinc/34/33/31/564343331.db2.gz VUCASYNWXPJOMW-VXNVDRBHSA-N 0 2 393.195 2.585 20 5 GFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccccc2)ns1 ZINC000476918993 564359408 /nfs/dbraw/zinc/35/94/08/564359408.db2.gz RMHJJKBZEGKACR-UHFFFAOYSA-N 0 2 376.419 2.644 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2cncc(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000486010658 564635362 /nfs/dbraw/zinc/63/53/62/564635362.db2.gz WQHUYHFRKJBJMD-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN CCOC(=O)Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466964226 564951839 /nfs/dbraw/zinc/95/18/39/564951839.db2.gz JERHHSPUMMYTEQ-UHFFFAOYSA-N 0 2 384.435 2.871 20 5 GFBDLN O=C(Nc1cnc2c(Br)cccn12)c1cc(O)ccc1[N+](=O)[O-] ZINC000560558105 564967631 /nfs/dbraw/zinc/96/76/31/564967631.db2.gz NCVJHQWZDAUZGE-UHFFFAOYSA-N 0 2 377.154 2.963 20 5 GFBDLN COC(=O)[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000469025476 565003337 /nfs/dbraw/zinc/00/33/37/565003337.db2.gz SPGPAGMMYJIWKM-LLVKDONJSA-N 0 2 390.826 2.502 20 5 GFBDLN O=C(N[C@H](CO)c1ccc(Br)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000590416099 565188095 /nfs/dbraw/zinc/18/80/95/565188095.db2.gz WCXSCILIQNZGNM-GFCCVEGCSA-N 0 2 381.182 2.526 20 5 GFBDLN CC1(c2nc(=NC(=O)c3c(Br)cccc3[N+](=O)[O-])s[nH]2)CC1 ZINC000600228381 565718349 /nfs/dbraw/zinc/71/83/49/565718349.db2.gz WGMTVNTYZSKSDG-UHFFFAOYSA-N 0 2 383.227 2.935 20 5 GFBDLN CC1(c2nc(=NC(=O)c3ccc(Br)cc3[N+](=O)[O-])s[nH]2)CC1 ZINC000600227919 565718366 /nfs/dbraw/zinc/71/83/66/565718366.db2.gz QYHRTKZESMFVGR-UHFFFAOYSA-N 0 2 383.227 2.935 20 5 GFBDLN CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC000737058723 601125032 /nfs/dbraw/zinc/12/50/32/601125032.db2.gz RZCAKIZTXHCAGE-UHFFFAOYSA-N 0 2 387.377 2.602 20 5 GFBDLN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000833104939 601540461 /nfs/dbraw/zinc/54/04/61/601540461.db2.gz GAXJHGFMPWNCHC-YOEHRIQHSA-N 0 2 375.425 2.889 20 5 GFBDLN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000833104939 601540463 /nfs/dbraw/zinc/54/04/63/601540463.db2.gz GAXJHGFMPWNCHC-YOEHRIQHSA-N 0 2 375.425 2.889 20 5 GFBDLN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000833104936 601540667 /nfs/dbraw/zinc/54/06/67/601540667.db2.gz GAXJHGFMPWNCHC-WMLDXEAASA-N 0 2 375.425 2.889 20 5 GFBDLN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000833104936 601540668 /nfs/dbraw/zinc/54/06/68/601540668.db2.gz GAXJHGFMPWNCHC-WMLDXEAASA-N 0 2 375.425 2.889 20 5 GFBDLN CCN(CC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1)C(=O)[O-] ZINC000827092313 603539978 /nfs/dbraw/zinc/53/99/78/603539978.db2.gz ABMQKYODELXGBE-UHFFFAOYSA-N 0 2 378.429 2.554 20 5 GFBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000830833516 660682791 /nfs/dbraw/zinc/68/27/91/660682791.db2.gz QRFSJKUUJOXSFY-CYBMUJFWSA-N 0 2 379.722 2.531 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccnc1C(F)(F)F ZINC000574361283 655429815 /nfs/dbraw/zinc/42/98/15/655429815.db2.gz DUSRLCCJQHSSCE-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccoc2)cc1I ZINC000795579832 658832752 /nfs/dbraw/zinc/83/27/52/658832752.db2.gz OPQASMZNDKUFKQ-UHFFFAOYSA-N 0 2 394.146 2.593 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)c(Cl)c1 ZINC000181362677 552254459 /nfs/dbraw/zinc/25/44/59/552254459.db2.gz WHXPMJJNVBIOQI-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN Cc1nc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1I ZINC000192687984 552971837 /nfs/dbraw/zinc/97/18/37/552971837.db2.gz JPLWIGMDXRIFRH-UHFFFAOYSA-N 0 2 399.144 2.861 20 5 GFBDLN CCc1nc([C@@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000295190814 563233781 /nfs/dbraw/zinc/23/37/81/563233781.db2.gz RBSBULLZDNXRHN-ZCFIWIBFSA-N 0 2 394.240 2.622 20 5 GFBDLN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436805242 563680241 /nfs/dbraw/zinc/68/02/41/563680241.db2.gz RFBNEDFMWJRLGA-ZDUSSCGKSA-N 0 2 399.172 2.665 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c(C)cc1[N+](=O)[O-] ZINC000414368009 563730169 /nfs/dbraw/zinc/73/01/69/563730169.db2.gz BHKYIJQQBHRUFW-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cn(CC)nc3[N+](=O)[O-])sc2C1 ZINC000443414939 563804837 /nfs/dbraw/zinc/80/48/37/563804837.db2.gz DISFGIZFGQWWAR-SECBINFHSA-N 0 2 385.471 2.583 20 5 GFBDLN CCn1nc(C)c(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1C ZINC000416423215 563827373 /nfs/dbraw/zinc/82/73/73/563827373.db2.gz STDJSTMEJVBAHD-UHFFFAOYSA-N 0 2 381.439 2.839 20 5 GFBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(OCCCO)cc1 ZINC000507633919 564236085 /nfs/dbraw/zinc/23/60/85/564236085.db2.gz GVRVEXZFRXROEX-UHFFFAOYSA-N 0 2 386.813 2.810 20 5 GFBDLN O=C(N[C@H](CCO)c1ccccc1Br)c1ccc([N+](=O)[O-])c(O)c1 ZINC000541051461 564264136 /nfs/dbraw/zinc/26/41/36/564264136.db2.gz NZPKCKMBMNYNBU-CYBMUJFWSA-N 0 2 395.209 2.916 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2nc(CC(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000451057410 564269146 /nfs/dbraw/zinc/26/91/46/564269146.db2.gz QQLBOWAVQXFZPJ-UHFFFAOYSA-N 0 2 397.356 2.966 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c1 ZINC000544622366 564390395 /nfs/dbraw/zinc/39/03/95/564390395.db2.gz XTUCELVHHXZRJX-UHFFFAOYSA-N 0 2 382.345 2.883 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c([N+](=O)[O-])c1 ZINC000479990905 564456795 /nfs/dbraw/zinc/45/67/95/564456795.db2.gz OFKUSFVOHMFOLA-UHFFFAOYSA-N 0 2 382.345 2.660 20 5 GFBDLN Cc1nc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])oc1C ZINC000481986188 564530875 /nfs/dbraw/zinc/53/08/75/564530875.db2.gz SIPACJGDVGRYAP-UHFFFAOYSA-N 0 2 376.188 2.763 20 5 GFBDLN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000466958882 564951177 /nfs/dbraw/zinc/95/11/77/564951177.db2.gz YZSUQTSJCIXBNZ-UHFFFAOYSA-N 0 2 390.464 2.559 20 5 GFBDLN CC(C)n1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000593285702 565324358 /nfs/dbraw/zinc/32/43/58/565324358.db2.gz STVPVDBZFGDXIK-UHFFFAOYSA-N 0 2 379.320 2.587 20 5 GFBDLN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000600226426 565718654 /nfs/dbraw/zinc/71/86/54/565718654.db2.gz AYZBMXLTNNJRPO-QMMMGPOBSA-N 0 2 382.829 2.979 20 5 GFBDLN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000604205461 565925375 /nfs/dbraw/zinc/92/53/75/565925375.db2.gz XKPAAPNPHQZNQR-JTQLQIEISA-N 0 2 383.451 2.963 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1C ZINC000610031936 566062911 /nfs/dbraw/zinc/06/29/11/566062911.db2.gz PRNKYWIQPKVRKT-UHFFFAOYSA-N 0 2 391.814 2.601 20 5 GFBDLN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000611343922 566127157 /nfs/dbraw/zinc/12/71/57/566127157.db2.gz XVXLHKITRKISOE-UHFFFAOYSA-N 0 2 384.439 2.736 20 5 GFBDLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737972338 599856900 /nfs/dbraw/zinc/85/69/00/599856900.db2.gz NRNUKKHWXJBXOB-MRXNPFEDSA-N 0 2 393.783 2.611 20 5 GFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738632165 602539267 /nfs/dbraw/zinc/53/92/67/602539267.db2.gz ZTMDAICCLLFPTM-QWRGUYRKSA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738632165 602539268 /nfs/dbraw/zinc/53/92/68/602539268.db2.gz ZTMDAICCLLFPTM-QWRGUYRKSA-N 0 2 384.820 2.507 20 5 GFBDLN Cc1nc2ccc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3Cl)cn2n1 ZINC000821089611 660315275 /nfs/dbraw/zinc/31/52/75/660315275.db2.gz LAHGFIMANCHSHA-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)cc1C ZINC000579774680 655503898 /nfs/dbraw/zinc/50/38/98/655503898.db2.gz HLQAGKWWVHQTHW-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cncc(F)c2)cc1Br ZINC000782264244 657122800 /nfs/dbraw/zinc/12/28/00/657122800.db2.gz UJYQJDAXGIDSLI-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000790067786 657923990 /nfs/dbraw/zinc/92/39/90/657923990.db2.gz DKIXNINWGSPCSJ-UHFFFAOYSA-N 0 2 380.760 2.819 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(Br)nn2C)c1 ZINC000794059719 658484331 /nfs/dbraw/zinc/48/43/31/658484331.db2.gz JYNXQCBIKKTSJC-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN CC(C)c1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)on1 ZINC000795836837 658856435 /nfs/dbraw/zinc/85/64/35/658856435.db2.gz DXGNVLCWLNSBQX-UHFFFAOYSA-N 0 2 377.781 2.977 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)ccc1[N+](=O)[O-] ZINC000849335865 661706710 /nfs/dbraw/zinc/70/67/10/661706710.db2.gz AFPULKSWZVYSHZ-UHFFFAOYSA-N 0 2 386.455 2.844 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc(-c3ncn(C)n3)cc2)cc1[N+](=O)[O-] ZINC000119423962 551216299 /nfs/dbraw/zinc/21/62/99/551216299.db2.gz JDXMIEPVTVZIHB-UHFFFAOYSA-N 0 2 379.423 2.561 20 5 GFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccncc1Br ZINC000159720255 551569725 /nfs/dbraw/zinc/56/97/25/551569725.db2.gz VYRUMCYJIRLTAW-UHFFFAOYSA-N 0 2 389.169 2.790 20 5 GFBDLN CCc1ncc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000161936094 551600618 /nfs/dbraw/zinc/60/06/18/551600618.db2.gz VEUJLFZOFIVYPJ-UHFFFAOYSA-N 0 2 387.215 2.511 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nnc(C4CCC4)n3c2)s1 ZINC000188235895 552440286 /nfs/dbraw/zinc/44/02/86/552440286.db2.gz IYQPLYJKEOMKGP-UHFFFAOYSA-N 0 2 379.423 2.767 20 5 GFBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000375716047 563416190 /nfs/dbraw/zinc/41/61/90/563416190.db2.gz HJFIAQCNYVXDKT-UHFFFAOYSA-N 0 2 385.492 2.825 20 5 GFBDLN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000331991702 563570420 /nfs/dbraw/zinc/57/04/20/563570420.db2.gz ZNQSPJWVQFADDQ-LLVKDONJSA-N 0 2 396.201 2.548 20 5 GFBDLN CCc1nc(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])sc1C(C)(C)C ZINC000414467205 563741442 /nfs/dbraw/zinc/74/14/42/563741442.db2.gz CSYUROVSEWFVHZ-UHFFFAOYSA-N 0 2 387.487 2.928 20 5 GFBDLN CCc1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc1C(=O)OC ZINC000441360455 563759168 /nfs/dbraw/zinc/75/91/68/563759168.db2.gz SSUJVZBJRLDCAY-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN CCCc1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000538452310 564191040 /nfs/dbraw/zinc/19/10/40/564191040.db2.gz MPSMWEQFFCGCQJ-UHFFFAOYSA-N 0 2 385.423 2.576 20 5 GFBDLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000471916555 564207147 /nfs/dbraw/zinc/20/71/47/564207147.db2.gz CCMKUIHCTOINKM-UHFFFAOYSA-N 0 2 382.448 2.706 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)c([N+](=O)[O-])c1 ZINC000509660271 564307998 /nfs/dbraw/zinc/30/79/98/564307998.db2.gz YDIZKSNJFFDKQJ-UHFFFAOYSA-N 0 2 379.419 2.748 20 5 GFBDLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475828324 564322026 /nfs/dbraw/zinc/32/20/26/564322026.db2.gz FPYVNBARNGKCRC-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc(OC)c1OC ZINC000466958153 564950940 /nfs/dbraw/zinc/95/09/40/564950940.db2.gz RMDUTELVSODYPV-UHFFFAOYSA-N 0 2 388.423 2.791 20 5 GFBDLN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000586750777 565112922 /nfs/dbraw/zinc/11/29/22/565112922.db2.gz QTOGSJCXBYSLST-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2ccsc2)s1 ZINC000619507273 565345941 /nfs/dbraw/zinc/34/59/41/565345941.db2.gz YASWLTADNZQRMD-UHFFFAOYSA-N 0 2 398.447 2.984 20 5 GFBDLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc1C ZINC000608927263 566027484 /nfs/dbraw/zinc/02/74/84/566027484.db2.gz DODRJZJXFQUOSW-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN COC(=O)c1csc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000611443529 566130423 /nfs/dbraw/zinc/13/04/23/566130423.db2.gz AWDWCPNSIAYKHY-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN CCOc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000595890561 601545632 /nfs/dbraw/zinc/54/56/32/601545632.db2.gz MZJZDRGZUQURJN-IBGZPJMESA-N 0 2 399.403 2.616 20 5 GFBDLN CCOc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000595890561 601545633 /nfs/dbraw/zinc/54/56/33/601545633.db2.gz MZJZDRGZUQURJN-IBGZPJMESA-N 0 2 399.403 2.616 20 5 GFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000753079350 606590142 /nfs/dbraw/zinc/59/01/42/606590142.db2.gz BZOKPNMLNYMILZ-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823299283 606669053 /nfs/dbraw/zinc/66/90/53/606669053.db2.gz PTFUJTPSESZOMG-UHFFFAOYSA-N 0 2 382.233 2.584 20 5 GFBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000830833309 660682798 /nfs/dbraw/zinc/68/27/98/660682798.db2.gz ONFQNPJIJFGHJY-ZDUSSCGKSA-N 0 2 379.722 2.531 20 5 GFBDLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000028695669 654572627 /nfs/dbraw/zinc/57/26/27/654572627.db2.gz RIBDVRRVCNVJEV-UHFFFAOYSA-N 0 2 376.799 2.897 20 5 GFBDLN CC(C)(C)c1nnc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000268231589 654964214 /nfs/dbraw/zinc/96/42/14/654964214.db2.gz VFRSDSJQKQIFDZ-UHFFFAOYSA-N 0 2 390.874 2.876 20 5 GFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Br)cn1 ZINC000103201272 655069134 /nfs/dbraw/zinc/06/91/34/655069134.db2.gz ISGFBTVIPVUITH-UHFFFAOYSA-N 0 2 389.169 2.790 20 5 GFBDLN CC(C)n1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000108759574 655137576 /nfs/dbraw/zinc/13/75/76/655137576.db2.gz PNQYNIWOEJFICL-UHFFFAOYSA-N 0 2 389.231 2.936 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cs1 ZINC000120127329 655328577 /nfs/dbraw/zinc/32/85/77/655328577.db2.gz QXUWDQQLLUUXNP-UHFFFAOYSA-N 0 2 385.814 2.691 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000473758098 655414316 /nfs/dbraw/zinc/41/43/16/655414316.db2.gz LVHNRKGWCAGJRW-UHFFFAOYSA-N 0 2 383.329 2.880 20 5 GFBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)n2)cc1[N+](=O)[O-] ZINC000777687687 656832758 /nfs/dbraw/zinc/83/27/58/656832758.db2.gz QGWBRHCBQYSZPX-UHFFFAOYSA-N 0 2 386.773 2.622 20 5 GFBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000881447164 662994446 /nfs/dbraw/zinc/99/44/46/662994446.db2.gz VALYJYNJYYXLQS-CYBMUJFWSA-N 0 2 379.722 2.531 20 5 GFBDLN O=C([O-])[C@H]1CSCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901888137 663749450 /nfs/dbraw/zinc/74/94/50/663749450.db2.gz RLFWRVMREJVSIJ-SSDOTTSWSA-N 0 2 381.273 2.668 20 5 GFBDLN O=C([O-])[C@H]1CSCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901888137 663749451 /nfs/dbraw/zinc/74/94/51/663749451.db2.gz RLFWRVMREJVSIJ-SSDOTTSWSA-N 0 2 381.273 2.668 20 5 GFBDLN CC(C)n1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000157635628 551540215 /nfs/dbraw/zinc/54/02/15/551540215.db2.gz XMIQBCXMSNQWHP-UHFFFAOYSA-N 0 2 376.341 2.774 20 5 GFBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000185956914 552375148 /nfs/dbraw/zinc/37/51/48/552375148.db2.gz GJCFUENUEFBSPN-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN Cc1nc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1I ZINC000429022419 563507633 /nfs/dbraw/zinc/50/76/33/563507633.db2.gz BRNYPXZGXIHEST-UHFFFAOYSA-N 0 2 399.144 2.861 20 5 GFBDLN O=C(N[C@@H](CO)c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436861483 563683184 /nfs/dbraw/zinc/68/31/84/563683184.db2.gz BNMYWEZNAQDYBZ-ZDUSSCGKSA-N 0 2 381.182 2.526 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)cc1[N+](=O)[O-] ZINC000414395208 563733792 /nfs/dbraw/zinc/73/37/92/563733792.db2.gz JORDNJABMGPRDC-GFCCVEGCSA-N 0 2 381.435 2.717 20 5 GFBDLN COC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000507075443 564218087 /nfs/dbraw/zinc/21/80/87/564218087.db2.gz AXSBRSCSOMRKJI-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nc(CC(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000451061936 564269081 /nfs/dbraw/zinc/26/90/81/564269081.db2.gz YQEXMOONDDDCQW-UHFFFAOYSA-N 0 2 397.356 2.966 20 5 GFBDLN O=C(NCC1CC[NH+](CC(F)F)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565204822 564271091 /nfs/dbraw/zinc/27/10/91/564271091.db2.gz MTCAGHCALVUXKS-UHFFFAOYSA-N 0 2 377.775 2.661 20 5 GFBDLN Cc1cc(C)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000542763026 564324973 /nfs/dbraw/zinc/32/49/73/564324973.db2.gz PQQFAHXKRFCIFD-UHFFFAOYSA-N 0 2 387.215 2.565 20 5 GFBDLN CCc1ncc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000451956257 564372539 /nfs/dbraw/zinc/37/25/39/564372539.db2.gz GNXSXLGGDSZZBS-UHFFFAOYSA-N 0 2 380.209 2.931 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1[N+](=O)[O-] ZINC000479550344 564443500 /nfs/dbraw/zinc/44/35/00/564443500.db2.gz BZAIWSVJRXUVFZ-UHFFFAOYSA-N 0 2 382.423 2.743 20 5 GFBDLN Cc1noc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000462252063 564828936 /nfs/dbraw/zinc/82/89/36/564828936.db2.gz JAZXNBASUXNYMQ-RXMQYKEDSA-N 0 2 381.197 2.633 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2C)c(C)cc1[N+](=O)[O-] ZINC000596047039 565509965 /nfs/dbraw/zinc/50/99/65/565509965.db2.gz SUXXTZNNWYIGFZ-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN COc1ccc(CC(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1[N+](=O)[O-] ZINC000609445034 566039364 /nfs/dbraw/zinc/03/93/64/566039364.db2.gz MECYHHZKDHBFLM-UHFFFAOYSA-N 0 2 376.419 2.787 20 5 GFBDLN CC[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000610409394 566079785 /nfs/dbraw/zinc/07/97/85/566079785.db2.gz FKQBWMSPRCGDRJ-ZETCQYMHSA-N 0 2 396.372 2.895 20 5 GFBDLN C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000827695406 600936035 /nfs/dbraw/zinc/93/60/35/600936035.db2.gz RXOUQOJVGPDROZ-LBPRGKRZSA-N 0 2 380.360 2.970 20 5 GFBDLN Cc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cc1[N+](=O)[O-] ZINC000826291495 609524295 /nfs/dbraw/zinc/52/42/95/609524295.db2.gz JAKPECJZHNGFKF-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000830824288 660682013 /nfs/dbraw/zinc/68/20/13/660682013.db2.gz YVWWTRCINBXUNL-ZDUSSCGKSA-N 0 2 379.722 2.531 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc([N+](=O)[O-])c1F ZINC000132355395 654934912 /nfs/dbraw/zinc/93/49/12/654934912.db2.gz QJTBQGXLKSPGBC-UHFFFAOYSA-N 0 2 382.295 2.602 20 5 GFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000268696245 654983181 /nfs/dbraw/zinc/98/31/81/654983181.db2.gz BVPSLWKGGGRABL-UHFFFAOYSA-N 0 2 382.345 2.660 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cnc1Br ZINC000120148126 655329156 /nfs/dbraw/zinc/32/91/56/655329156.db2.gz RRSIVOFUKPTSJX-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCCc3cn[nH]c32)c(Cl)cc1Cl ZINC000809826832 659944997 /nfs/dbraw/zinc/94/49/97/659944997.db2.gz RZJKSMNCVQGYNZ-JTQLQIEISA-N 0 2 391.236 2.981 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)ccc1[N+](=O)[O-] ZINC000175870838 552131101 /nfs/dbraw/zinc/13/11/01/552131101.db2.gz XTALYEFTKDYGGU-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-] ZINC000182750020 552292404 /nfs/dbraw/zinc/29/24/04/552292404.db2.gz XBBHAZMIGCFBDI-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccoc1Br ZINC000193546340 552996184 /nfs/dbraw/zinc/99/61/84/552996184.db2.gz ZYSGUTWYTMMASO-UHFFFAOYSA-N 0 2 378.142 2.988 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)o2)s1 ZINC000194808892 553031150 /nfs/dbraw/zinc/03/11/50/553031150.db2.gz KEUNPMITCOCMOR-UHFFFAOYSA-N 0 2 384.370 2.570 20 5 GFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278447662 563256300 /nfs/dbraw/zinc/25/63/00/563256300.db2.gz XGTSPPDYEDKDJT-JTQLQIEISA-N 0 2 388.789 2.592 20 5 GFBDLN CC(C)n1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000280939324 563361639 /nfs/dbraw/zinc/36/16/39/563361639.db2.gz IQTFQBDBZYGYTQ-UHFFFAOYSA-N 0 2 389.231 2.936 20 5 GFBDLN Cc1nnc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)c2)n1C ZINC000378196235 563498398 /nfs/dbraw/zinc/49/83/98/563498398.db2.gz JSEVCCLKORIHOG-UHFFFAOYSA-N 0 2 379.423 2.561 20 5 GFBDLN CCc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc1C(=O)OC ZINC000441353278 563758415 /nfs/dbraw/zinc/75/84/15/563758415.db2.gz GOPVEPPOCYBQJS-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN CCc1nc(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)sc1C ZINC000416417576 563825591 /nfs/dbraw/zinc/82/55/91/563825591.db2.gz OFTHIXUTGXWZQS-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)c1[N+](=O)[O-] ZINC000446949111 563871061 /nfs/dbraw/zinc/87/10/61/563871061.db2.gz SNIJKJUAQXMTQH-UHFFFAOYSA-N 0 2 379.423 2.859 20 5 GFBDLN CCOC(=O)[C@H](C(=O)CSc1ccc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000448108935 563894231 /nfs/dbraw/zinc/89/42/31/563894231.db2.gz SBRNSQUWHMSMMC-CYBMUJFWSA-N 0 2 381.435 2.763 20 5 GFBDLN COC(=O)c1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000508144485 564256111 /nfs/dbraw/zinc/25/61/11/564256111.db2.gz QVKDUIDJDIPNBU-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN Cc1c(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cccc1[N+](=O)[O-] ZINC000509240457 564289381 /nfs/dbraw/zinc/28/93/81/564289381.db2.gz MJOGTKBIMWWIMX-UHFFFAOYSA-N 0 2 378.303 2.938 20 5 GFBDLN CSc1cc2c(cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])OCCO2 ZINC000509613462 564305643 /nfs/dbraw/zinc/30/56/43/564305643.db2.gz MAORNCHMOWCHGI-UHFFFAOYSA-N 0 2 382.419 2.889 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1(CF)CCOCC1 ZINC000451738340 564346945 /nfs/dbraw/zinc/34/69/45/564346945.db2.gz QNBRBERZEVAAFG-UHFFFAOYSA-N 0 2 387.216 2.699 20 5 GFBDLN CSc1ccccc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000476766368 564353071 /nfs/dbraw/zinc/35/30/71/564353071.db2.gz VULJJMWOMZWRJM-UHFFFAOYSA-N 0 2 382.419 2.889 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c([N+](=O)[O-])c1 ZINC000481855739 564525717 /nfs/dbraw/zinc/52/57/17/564525717.db2.gz NBIWBJUSWHMDGL-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000524131005 564677587 /nfs/dbraw/zinc/67/75/87/564677587.db2.gz XOVZBTKBYZSECL-UHFFFAOYSA-N 0 2 377.158 2.723 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000491609192 564794744 /nfs/dbraw/zinc/79/47/44/564794744.db2.gz FMKMBUUMAUBSDN-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000466968075 564951493 /nfs/dbraw/zinc/95/14/93/564951493.db2.gz VUOGQASQCPEIKP-CYBMUJFWSA-N 0 2 384.435 2.933 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c(C)c1[N+](=O)[O-] ZINC000598733994 565638187 /nfs/dbraw/zinc/63/81/87/565638187.db2.gz HUOZNYAKCUBSQK-UHFFFAOYSA-N 0 2 382.345 2.883 20 5 GFBDLN CCOC(=O)c1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598735666 565638619 /nfs/dbraw/zinc/63/86/19/565638619.db2.gz ZHHHEYJYICDOBY-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN O=C([O-])c1cc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC000833097101 600975239 /nfs/dbraw/zinc/97/52/39/600975239.db2.gz FIMINGDXOLQZCK-GOSISDBHSA-N 0 2 399.403 2.523 20 5 GFBDLN CCN(CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827089922 603543474 /nfs/dbraw/zinc/54/34/74/603543474.db2.gz ZPQPFHDAMQOIGY-ZDUSSCGKSA-N 0 2 378.429 2.634 20 5 GFBDLN CCN(CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827089921 603543674 /nfs/dbraw/zinc/54/36/74/603543674.db2.gz ZPQPFHDAMQOIGY-CYBMUJFWSA-N 0 2 378.429 2.634 20 5 GFBDLN O=C([O-])CCC[N@@H+](Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000833226893 604765789 /nfs/dbraw/zinc/76/57/89/604765789.db2.gz QSBMCPHCJBACDQ-UHFFFAOYSA-N 0 2 397.387 2.515 20 5 GFBDLN O=C([O-])CCC[N@H+](Cc1ccccc1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000833226893 604765790 /nfs/dbraw/zinc/76/57/90/604765790.db2.gz QSBMCPHCJBACDQ-UHFFFAOYSA-N 0 2 397.387 2.515 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000833816822 605675609 /nfs/dbraw/zinc/67/56/09/605675609.db2.gz FIPMFTTZPVEKBK-YVEFUNNKSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000833816822 605675611 /nfs/dbraw/zinc/67/56/11/605675611.db2.gz FIPMFTTZPVEKBK-YVEFUNNKSA-N 0 2 375.381 2.712 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000822270894 606723520 /nfs/dbraw/zinc/72/35/20/606723520.db2.gz BSKXCPPFMSHWBR-UHFFFAOYSA-N 0 2 383.387 2.549 20 5 GFBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000830824287 660681956 /nfs/dbraw/zinc/68/19/56/660681956.db2.gz YVWWTRCINBXUNL-CYBMUJFWSA-N 0 2 379.722 2.531 20 5 GFBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000830821552 660682058 /nfs/dbraw/zinc/68/20/58/660682058.db2.gz KFBPJMHFBXUTOH-ZDUSSCGKSA-N 0 2 379.722 2.531 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000267227585 654918855 /nfs/dbraw/zinc/91/88/55/654918855.db2.gz JEXXNZGHLDQXHO-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000794862525 658627000 /nfs/dbraw/zinc/62/70/00/658627000.db2.gz BXTDUJLHXLCMBC-UHFFFAOYSA-N 0 2 387.757 2.966 20 5 GFBDLN CCN1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795829801 658855810 /nfs/dbraw/zinc/85/58/10/658855810.db2.gz PKKVSFPCYSFNLH-SNVBAGLBSA-N 0 2 379.841 2.540 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000161581051 551596050 /nfs/dbraw/zinc/59/60/50/551596050.db2.gz LCPHHOQGNDQPQA-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)s1 ZINC000178421101 552170231 /nfs/dbraw/zinc/17/02/31/552170231.db2.gz SCFNIGKIYRNOFJ-UHFFFAOYSA-N 0 2 399.841 2.750 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)ccc1Cl ZINC000179834290 552204583 /nfs/dbraw/zinc/20/45/83/552204583.db2.gz AEDMOMMDTWSUOW-UHFFFAOYSA-N 0 2 379.785 2.834 20 5 GFBDLN O=C(NCCNc1cccc(Br)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000182107255 552275555 /nfs/dbraw/zinc/27/55/55/552275555.db2.gz WJSCQPNUXRTKHK-UHFFFAOYSA-N 0 2 380.198 2.905 20 5 GFBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186913361 552401270 /nfs/dbraw/zinc/40/12/70/552401270.db2.gz YBJONCSJFNMMSS-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN CCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000194741994 553028630 /nfs/dbraw/zinc/02/86/30/553028630.db2.gz IUZLPVBOESDALK-UHFFFAOYSA-N 0 2 380.304 2.750 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)c(Cl)c1 ZINC000375647640 563413035 /nfs/dbraw/zinc/41/30/35/563413035.db2.gz RBOUKDQRBOLJJR-CYBMUJFWSA-N 0 2 384.797 2.865 20 5 GFBDLN COCCn1nc(C)c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000432185660 563576530 /nfs/dbraw/zinc/57/65/30/563576530.db2.gz IXYZTTXBQUVNFQ-UHFFFAOYSA-N 0 2 388.833 2.509 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nc1C ZINC000481050576 564501369 /nfs/dbraw/zinc/50/13/69/564501369.db2.gz BWHAURSKOPEXEH-UHFFFAOYSA-N 0 2 385.423 2.564 20 5 GFBDLN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000486650341 564661408 /nfs/dbraw/zinc/66/14/08/564661408.db2.gz XZKNNSUPNJRJBT-DTWKUNHWSA-N 0 2 387.849 2.919 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000492977638 564805357 /nfs/dbraw/zinc/80/53/57/564805357.db2.gz UNIPNSUWQLOTQQ-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN CCc1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000584231682 564927052 /nfs/dbraw/zinc/92/70/52/564927052.db2.gz KOWNDKNNTDRTRS-UHFFFAOYSA-N 0 2 378.332 2.717 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598735225 565638465 /nfs/dbraw/zinc/63/84/65/565638465.db2.gz UNTHIKGPWHXGLJ-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1C ZINC000608927239 566027582 /nfs/dbraw/zinc/02/75/82/566027582.db2.gz AQWSQSRVUVBNKF-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)c([N+](=O)[O-])c1 ZINC000609848780 566054883 /nfs/dbraw/zinc/05/48/83/566054883.db2.gz AQFOLWKXVADXBH-UHFFFAOYSA-N 0 2 376.419 2.644 20 5 GFBDLN CCc1cnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000611498241 566133284 /nfs/dbraw/zinc/13/32/84/566133284.db2.gz RVLWFKQSYCHYCM-UHFFFAOYSA-N 0 2 376.188 2.709 20 5 GFBDLN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000833104930 601540633 /nfs/dbraw/zinc/54/06/33/601540633.db2.gz GAXJHGFMPWNCHC-PBHICJAKSA-N 0 2 375.425 2.889 20 5 GFBDLN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000833104930 601540635 /nfs/dbraw/zinc/54/06/35/601540635.db2.gz GAXJHGFMPWNCHC-PBHICJAKSA-N 0 2 375.425 2.889 20 5 GFBDLN CN(C[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739635277 601855295 /nfs/dbraw/zinc/85/52/95/601855295.db2.gz CONMPYRRICRQTC-LLVKDONJSA-N 0 2 384.820 2.509 20 5 GFBDLN CN(C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739635277 601855297 /nfs/dbraw/zinc/85/52/97/601855297.db2.gz CONMPYRRICRQTC-LLVKDONJSA-N 0 2 384.820 2.509 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000833817222 605678415 /nfs/dbraw/zinc/67/84/15/605678415.db2.gz HAQGOUHKLUSFAR-SJCJKPOMSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000833817222 605678417 /nfs/dbraw/zinc/67/84/17/605678417.db2.gz HAQGOUHKLUSFAR-SJCJKPOMSA-N 0 2 375.381 2.712 20 5 GFBDLN Cc1c(Cl)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000822035449 607154240 /nfs/dbraw/zinc/15/42/40/607154240.db2.gz VCZKEQXGITXZLX-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1noc(-c2cccs2)n1 ZINC000539813341 650341506 /nfs/dbraw/zinc/34/15/06/650341506.db2.gz LHBHEVMPSZNCAV-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000830841769 660683106 /nfs/dbraw/zinc/68/31/06/660683106.db2.gz UZGGJOSCBDCDEF-ZDUSSCGKSA-N 0 2 379.722 2.531 20 5 GFBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(F)cn2)c1 ZINC000069675528 654985295 /nfs/dbraw/zinc/98/52/95/654985295.db2.gz RKNMHDGBGWDYBY-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN CC(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000272932635 655125934 /nfs/dbraw/zinc/12/59/34/655125934.db2.gz INBCLWOQKUZIBE-UHFFFAOYSA-N 0 2 382.467 2.619 20 5 GFBDLN CC(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000272932635 655125938 /nfs/dbraw/zinc/12/59/38/655125938.db2.gz INBCLWOQKUZIBE-UHFFFAOYSA-N 0 2 382.467 2.619 20 5 GFBDLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000185710056 655365895 /nfs/dbraw/zinc/36/58/95/655365895.db2.gz IVLOJNREZACVTB-UHFFFAOYSA-N 0 2 387.215 2.565 20 5 GFBDLN Cc1nc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])oc1C ZINC000778080172 656859832 /nfs/dbraw/zinc/85/98/32/656859832.db2.gz GQIFBCNRGXLXOR-UHFFFAOYSA-N 0 2 376.188 2.763 20 5 GFBDLN Cn1nc(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000794057714 658482890 /nfs/dbraw/zinc/48/28/90/658482890.db2.gz LKCARGCTHRQJNE-UHFFFAOYSA-N 0 2 395.622 2.545 20 5 GFBDLN CCNC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000121043450 551225629 /nfs/dbraw/zinc/22/56/29/551225629.db2.gz UHXIMXBGUAWNIY-UHFFFAOYSA-N 0 2 383.813 2.799 20 5 GFBDLN CNC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000145678260 551396787 /nfs/dbraw/zinc/39/67/87/551396787.db2.gz KUIUAZRLTFVPEX-UHFFFAOYSA-N 0 2 384.801 2.800 20 5 GFBDLN O=C1CCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2N1 ZINC000157933950 551545128 /nfs/dbraw/zinc/54/51/28/551545128.db2.gz MQVLAEKEDSQUOL-UHFFFAOYSA-N 0 2 381.797 2.934 20 5 GFBDLN CCN1CCc2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)sc2C1 ZINC000171146913 551648594 /nfs/dbraw/zinc/64/85/94/551648594.db2.gz ZQPBBXANNHWLMG-UHFFFAOYSA-N 0 2 382.467 2.539 20 5 GFBDLN C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185652758 552367945 /nfs/dbraw/zinc/36/79/45/552367945.db2.gz XDIBTXJQHZOGEP-HSZRJFAPSA-N 0 2 388.854 2.928 20 5 GFBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000185958422 552375885 /nfs/dbraw/zinc/37/58/85/552375885.db2.gz VQXKEMAJZDRLJB-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN NC(=O)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000431149057 563554748 /nfs/dbraw/zinc/55/47/48/563554748.db2.gz AAJBBYPYSUDKFB-UHFFFAOYSA-N 0 2 388.764 2.679 20 5 GFBDLN O=C(N[C@@H](CCO)c1ccccc1Br)c1cc([N+](=O)[O-])ccc1O ZINC000436713782 563677873 /nfs/dbraw/zinc/67/78/73/563677873.db2.gz DCUBMMZIAKVXIJ-AWEZNQCLSA-N 0 2 395.209 2.916 20 5 GFBDLN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000436941713 563685727 /nfs/dbraw/zinc/68/57/27/563685727.db2.gz RQTISAKMGAFKAI-UHFFFAOYSA-N 0 2 385.785 2.578 20 5 GFBDLN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Cl ZINC000436945979 563685927 /nfs/dbraw/zinc/68/59/27/563685927.db2.gz HZPLGJBMNWWOTK-UHFFFAOYSA-N 0 2 385.785 2.578 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)nc1C ZINC000541785201 564288955 /nfs/dbraw/zinc/28/89/55/564288955.db2.gz IQRDTIOSDZOVEC-UHFFFAOYSA-N 0 2 385.423 2.564 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)cc1[N+](=O)[O-] ZINC000481862724 564526421 /nfs/dbraw/zinc/52/64/21/564526421.db2.gz VUYOKOIBDLFIRM-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)oc1C ZINC000484009286 564579952 /nfs/dbraw/zinc/57/99/52/564579952.db2.gz ARBMBQRGYZFHQU-UHFFFAOYSA-N 0 2 389.773 2.522 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cncc(Br)c1 ZINC000619507405 565345997 /nfs/dbraw/zinc/34/59/97/565345997.db2.gz NUZVWPYFIXKGHK-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN CCn1nc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000600670503 565744506 /nfs/dbraw/zinc/74/45/06/565744506.db2.gz YMOZJXFLDINIIJ-UHFFFAOYSA-N 0 2 378.332 2.939 20 5 GFBDLN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000604205464 565926213 /nfs/dbraw/zinc/92/62/13/565926213.db2.gz XKPAAPNPHQZNQR-SNVBAGLBSA-N 0 2 383.451 2.963 20 5 GFBDLN Cc1ccc([C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000540671652 600163016 /nfs/dbraw/zinc/16/30/16/600163016.db2.gz ZYDGEJZLXVTWRJ-INIZCTEOSA-N 0 2 394.387 2.687 20 5 GFBDLN CN(CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000739662231 602387825 /nfs/dbraw/zinc/38/78/25/602387825.db2.gz XULJNLVMNXNLNV-UHFFFAOYSA-N 0 2 384.820 2.509 20 5 GFBDLN CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(OCC(=O)[O-])cc1 ZINC000833686513 605461135 /nfs/dbraw/zinc/46/11/35/605461135.db2.gz YFJXBFODQZAAOJ-UHFFFAOYSA-N 0 2 396.359 2.521 20 5 GFBDLN CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000824207290 608166707 /nfs/dbraw/zinc/16/67/07/608166707.db2.gz SQGVWOYOFROKNW-MRXNPFEDSA-N 0 2 398.379 2.523 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)ccc1Cl ZINC000126303848 654812329 /nfs/dbraw/zinc/81/23/29/654812329.db2.gz FTRTVNUYHCMJOJ-UHFFFAOYSA-N 0 2 397.825 2.963 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000268743960 654985153 /nfs/dbraw/zinc/98/51/53/654985153.db2.gz ZRQZWPXJGZLUGS-UHFFFAOYSA-N 0 2 396.372 2.914 20 5 GFBDLN CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768866849 656257697 /nfs/dbraw/zinc/25/76/97/656257697.db2.gz DEHXDUUOHLRYDR-UHFFFAOYSA-N 0 2 384.439 2.987 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cs1 ZINC000775095845 656598577 /nfs/dbraw/zinc/59/85/77/656598577.db2.gz NBINESDNBMSFTA-UHFFFAOYSA-N 0 2 384.370 2.570 20 5 GFBDLN CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccc1Cl ZINC000776204528 656719794 /nfs/dbraw/zinc/71/97/94/656719794.db2.gz PACDCVUALBEHEB-UHFFFAOYSA-N 0 2 385.785 2.578 20 5 GFBDLN CC(C)c1nc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])no1 ZINC000778097009 656862214 /nfs/dbraw/zinc/86/22/14/656862214.db2.gz MWHJUXHVSFYJRS-UHFFFAOYSA-N 0 2 391.203 2.665 20 5 GFBDLN COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccco1 ZINC000795866874 658864011 /nfs/dbraw/zinc/86/40/11/658864011.db2.gz KQVQQYNZSMNOJO-JTQLQIEISA-N 0 2 378.765 2.646 20 5 GFBDLN CC(C)c1nc([C@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n[nH]1 ZINC000815029182 660104016 /nfs/dbraw/zinc/10/40/16/660104016.db2.gz LGTLAZPMVPYVTQ-ZETCQYMHSA-N 0 2 391.812 2.668 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)c(C)c1[N+](=O)[O-] ZINC000857253016 662070536 /nfs/dbraw/zinc/07/05/36/662070536.db2.gz YVGCQVUTKGMGJJ-UHFFFAOYSA-N 0 2 380.304 2.500 20 5 GFBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000881447169 662994473 /nfs/dbraw/zinc/99/44/73/662994473.db2.gz VALYJYNJYYXLQS-ZDUSSCGKSA-N 0 2 379.722 2.531 20 5 GFBDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000187036651 552404663 /nfs/dbraw/zinc/40/46/63/552404663.db2.gz UHYXWULDVWJROY-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000477418127 564376160 /nfs/dbraw/zinc/37/61/60/564376160.db2.gz XDHLIONQTJRVQW-UHFFFAOYSA-N 0 2 384.797 2.765 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)cc1 ZINC000512363997 564399882 /nfs/dbraw/zinc/39/98/82/564399882.db2.gz YCPHMCJSHIDHKZ-UHFFFAOYSA-N 0 2 396.837 2.989 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2cccnc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000573721318 564651715 /nfs/dbraw/zinc/65/17/15/564651715.db2.gz XBTPLNJDHBPLOG-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN Cc1noc(C)c1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462556775 564848503 /nfs/dbraw/zinc/84/85/03/564848503.db2.gz YJOVREQBARJNOF-UHFFFAOYSA-N 0 2 380.209 2.985 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n(-c2ccccn2)n1 ZINC000467012877 564952506 /nfs/dbraw/zinc/95/25/06/564952506.db2.gz GUKKHMCOYBMUNW-UHFFFAOYSA-N 0 2 379.423 2.655 20 5 GFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000468520331 564985910 /nfs/dbraw/zinc/98/59/10/564985910.db2.gz ZQJCSBSJSAVCRS-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000537653958 565060878 /nfs/dbraw/zinc/06/08/78/565060878.db2.gz JOPQNBRDWWYAQO-UHFFFAOYSA-N 0 2 385.785 2.621 20 5 GFBDLN COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000616252784 565194778 /nfs/dbraw/zinc/19/47/78/565194778.db2.gz LXSAIHVGCHFQLH-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN CC1(c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3Br)s[nH]2)CC1 ZINC000600228771 565718525 /nfs/dbraw/zinc/71/85/25/565718525.db2.gz ZRCXOHDPERGAQN-UHFFFAOYSA-N 0 2 383.227 2.935 20 5 GFBDLN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000611278354 566124200 /nfs/dbraw/zinc/12/42/00/566124200.db2.gz DBNYJCPNJDTENF-JTQLQIEISA-N 0 2 383.451 2.963 20 5 GFBDLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])cc1 ZINC000737972061 599862726 /nfs/dbraw/zinc/86/27/26/599862726.db2.gz MFYQMPFBOZEZFH-MRXNPFEDSA-N 0 2 393.783 2.611 20 5 GFBDLN CC(C)[C@@H](CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NC(=O)[O-] ZINC000824091394 603557409 /nfs/dbraw/zinc/55/74/09/603557409.db2.gz COZIXIPUMNZJQG-CQSZACIVSA-N 0 2 389.412 2.535 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825264375 604237791 /nfs/dbraw/zinc/23/77/91/604237791.db2.gz KCFWWISHZCZPDM-GHMZBOCLSA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825264375 604237794 /nfs/dbraw/zinc/23/77/94/604237794.db2.gz KCFWWISHZCZPDM-GHMZBOCLSA-N 0 2 384.820 2.555 20 5 GFBDLN COC(=O)c1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1C(C)C ZINC000038279437 654617498 /nfs/dbraw/zinc/61/74/98/654617498.db2.gz KSEALHPLTHWZHZ-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)n1 ZINC000066247263 654897618 /nfs/dbraw/zinc/89/76/18/654897618.db2.gz UNJIKWNDAKVIRM-UHFFFAOYSA-N 0 2 385.423 2.591 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1Br ZINC000152773682 655061561 /nfs/dbraw/zinc/06/15/61/655061561.db2.gz GKUFKRVENMGDFY-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1O ZINC000170552407 655144373 /nfs/dbraw/zinc/14/43/73/655144373.db2.gz CTDZRDKTCBVNSZ-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN Cc1nc(Br)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120117274 655328333 /nfs/dbraw/zinc/32/83/33/655328333.db2.gz ZNAHSAKPEMVQJO-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cn2)n1 ZINC000120165683 655329726 /nfs/dbraw/zinc/32/97/26/655329726.db2.gz OUBVMINBXLUEBV-UHFFFAOYSA-N 0 2 379.423 2.655 20 5 GFBDLN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120198470 655330898 /nfs/dbraw/zinc/33/08/98/655330898.db2.gz KTJGKQJDJQNTEH-UHFFFAOYSA-N 0 2 383.451 2.843 20 5 GFBDLN CCCn1cc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000121743337 655350952 /nfs/dbraw/zinc/35/09/52/655350952.db2.gz AMERVBNLMOYKHA-UHFFFAOYSA-N 0 2 389.231 2.765 20 5 GFBDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000757645680 655914261 /nfs/dbraw/zinc/91/42/61/655914261.db2.gz ORRKAGBNJLIBOE-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1F ZINC000760339837 655976394 /nfs/dbraw/zinc/97/63/94/655976394.db2.gz VXRUQZREPREVHK-UHFFFAOYSA-N 0 2 387.776 2.595 20 5 GFBDLN COCCc1nc2cc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc2o1 ZINC000768862714 656257473 /nfs/dbraw/zinc/25/74/73/656257473.db2.gz XWPBKIQRHCGINS-UHFFFAOYSA-N 0 2 383.407 2.787 20 5 GFBDLN CC(C)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)no1 ZINC000778097809 656862783 /nfs/dbraw/zinc/86/27/83/656862783.db2.gz IMHCIFUHFUMZLQ-UHFFFAOYSA-N 0 2 391.203 2.665 20 5 GFBDLN NC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC000798246974 659088704 /nfs/dbraw/zinc/08/87/04/659088704.db2.gz LLXXMMZPRBPZHV-UHFFFAOYSA-N 0 2 388.764 2.679 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccnc(Cl)c2C)c([N+](=O)[O-])c1 ZINC000811836396 660016593 /nfs/dbraw/zinc/01/65/93/660016593.db2.gz RWILVPIMEJDTFV-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000022195056 207248107 /nfs/dbraw/zinc/24/81/07/207248107.db2.gz LFLDKKKQZCZIRO-GFCCVEGCSA-N 0 2 384.845 2.917 20 5 GFBDLN CCN(CC)C1=NC(=O)C(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000022195056 207248112 /nfs/dbraw/zinc/24/81/12/207248112.db2.gz LFLDKKKQZCZIRO-GFCCVEGCSA-N 0 2 384.845 2.917 20 5 GFBDLN O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166178820 551630901 /nfs/dbraw/zinc/63/09/01/551630901.db2.gz FIALJRZVFGUKGA-UHFFFAOYSA-N 0 2 384.175 2.976 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000375720042 563416417 /nfs/dbraw/zinc/41/64/17/563416417.db2.gz YWIYRGATZMBFEF-UHFFFAOYSA-N 0 2 387.464 2.650 20 5 GFBDLN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1CO ZINC000327006492 563456591 /nfs/dbraw/zinc/45/65/91/563456591.db2.gz LKDGMQFLSQLVAT-UHFFFAOYSA-N 0 2 386.813 2.940 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cc1[N+](=O)[O-] ZINC000378141394 563497204 /nfs/dbraw/zinc/49/72/04/563497204.db2.gz XKVJPMPXKXVWMH-UHFFFAOYSA-N 0 2 398.447 2.984 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)ccc1[N+](=O)[O-] ZINC000366176876 563800789 /nfs/dbraw/zinc/80/07/89/563800789.db2.gz BZECWEYNKFHXSV-UHFFFAOYSA-N 0 2 398.447 2.984 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c([N+](=O)[O-])n1 ZINC000443421699 563804555 /nfs/dbraw/zinc/80/45/55/563804555.db2.gz CTMSAYYGVWRBBX-UHFFFAOYSA-N 0 2 387.830 2.875 20 5 GFBDLN O=C(Nc1n[nH]c(-c2ccncc2)n1)c1sc(Br)cc1[N+](=O)[O-] ZINC000366613682 563815563 /nfs/dbraw/zinc/81/55/63/563815563.db2.gz KLGGJMDMAXRYQH-UHFFFAOYSA-N 0 2 395.198 2.851 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)c1C ZINC000446943504 563870915 /nfs/dbraw/zinc/87/09/15/563870915.db2.gz JYZSOOBKOHEFBH-UHFFFAOYSA-N 0 2 379.423 2.859 20 5 GFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000514696600 564454369 /nfs/dbraw/zinc/45/43/69/564454369.db2.gz PZEYFAPVRCJTPC-UHFFFAOYSA-N 0 2 378.284 3.000 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Cl)c1F ZINC000480209285 564463969 /nfs/dbraw/zinc/46/39/69/564463969.db2.gz MXYOSNIHHKEEAG-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000515012309 564466110 /nfs/dbraw/zinc/46/61/10/564466110.db2.gz BBMQFWLIPVQITH-UHFFFAOYSA-N 0 2 383.813 2.799 20 5 GFBDLN Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000481870340 564527471 /nfs/dbraw/zinc/52/74/71/564527471.db2.gz GIAJBJXKTOOFRG-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000461119548 564790845 /nfs/dbraw/zinc/79/08/45/564790845.db2.gz ZDYRHQAVHJXITM-UHFFFAOYSA-N 0 2 392.618 2.628 20 5 GFBDLN COCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000464412966 564906428 /nfs/dbraw/zinc/90/64/28/564906428.db2.gz VFZYDSBKNWIECD-UHFFFAOYSA-N 0 2 380.407 2.547 20 5 GFBDLN CCOC(=O)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000500775392 564962149 /nfs/dbraw/zinc/96/21/49/564962149.db2.gz OJERFKWSKRCORZ-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000619856492 565361288 /nfs/dbraw/zinc/36/12/88/565361288.db2.gz CCUOTPZFJUZKPK-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598710375 565635834 /nfs/dbraw/zinc/63/58/34/565635834.db2.gz BINBFMASKTWMDL-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN Cc1ncc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)n1C ZINC000600655196 565740702 /nfs/dbraw/zinc/74/07/02/565740702.db2.gz KHDXJANULLUJEA-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN O=C([O-])c1cc([N+](=O)[O-])c(N2CC[NH+](Cc3cccnc3)CC2)cc1Cl ZINC000740094833 600942963 /nfs/dbraw/zinc/94/29/63/600942963.db2.gz JEZUTXUFEFGKPI-UHFFFAOYSA-N 0 2 376.800 2.664 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740174698 601928735 /nfs/dbraw/zinc/92/87/35/601928735.db2.gz KQDXAPDHUZSMCK-CABCVRRESA-N 0 2 390.440 2.839 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740174698 601928737 /nfs/dbraw/zinc/92/87/37/601928737.db2.gz KQDXAPDHUZSMCK-CABCVRRESA-N 0 2 390.440 2.839 20 5 GFBDLN C[C@H](NC(=O)[O-])C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000739029603 602447634 /nfs/dbraw/zinc/44/76/34/602447634.db2.gz VUSQHPQRUBMYGE-JTQLQIEISA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000833816816 605675088 /nfs/dbraw/zinc/67/50/88/605675088.db2.gz FIPMFTTZPVEKBK-SJCJKPOMSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000833816816 605675090 /nfs/dbraw/zinc/67/50/90/605675090.db2.gz FIPMFTTZPVEKBK-SJCJKPOMSA-N 0 2 375.381 2.712 20 5 GFBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccnc2OCC(F)F)ccc1F ZINC000821124337 660316756 /nfs/dbraw/zinc/31/67/56/660316756.db2.gz SQMUMSMKPFNFQT-UHFFFAOYSA-N 0 2 377.300 2.574 20 5 GFBDLN CC(C)(C)c1nnc(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1 ZINC000829847561 660617130 /nfs/dbraw/zinc/61/71/30/660617130.db2.gz JHVSVJYCLISLNG-UHFFFAOYSA-N 0 2 378.769 2.869 20 5 GFBDLN Cc1nn(C)c2ncc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc12 ZINC000047522073 654696364 /nfs/dbraw/zinc/69/63/64/654696364.db2.gz SKUPIRQTTREJNL-UHFFFAOYSA-N 0 2 381.801 2.639 20 5 GFBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000108759667 655137590 /nfs/dbraw/zinc/13/75/90/655137590.db2.gz SZFLXNXQUCVCQB-UHFFFAOYSA-N 0 2 399.226 2.826 20 5 GFBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000172894478 655160356 /nfs/dbraw/zinc/16/03/56/655160356.db2.gz PGWGKHUQKYYKMC-DEOSSOPVSA-N 0 2 386.426 2.722 20 5 GFBDLN Cc1cc(C)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000185707362 655365850 /nfs/dbraw/zinc/36/58/50/655365850.db2.gz BSWCEMKFYOWFEA-UHFFFAOYSA-N 0 2 376.316 2.821 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c(OC)n1 ZINC000761891864 656023509 /nfs/dbraw/zinc/02/35/09/656023509.db2.gz ONIXTAWBWDUCJK-UHFFFAOYSA-N 0 2 387.801 2.770 20 5 GFBDLN CCc1cnc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1 ZINC000778100781 656863226 /nfs/dbraw/zinc/86/32/26/656863226.db2.gz BNZPHMDKBOBYSQ-UHFFFAOYSA-N 0 2 376.188 2.709 20 5 GFBDLN CC(C)c1nc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n[nH]1 ZINC000795902943 658869673 /nfs/dbraw/zinc/86/96/73/658869673.db2.gz TVZCGLTUDGXYIY-ZETCQYMHSA-N 0 2 391.812 2.668 20 5 GFBDLN CO[C@@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(F)(F)F ZINC000795950636 658876477 /nfs/dbraw/zinc/87/64/77/658876477.db2.gz LJGAKEJWMNBPPE-VIFPVBQESA-N 0 2 394.730 2.633 20 5 GFBDLN CCc1oncc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000800844359 659338886 /nfs/dbraw/zinc/33/88/86/659338886.db2.gz VWSPWSGIVGAESX-UHFFFAOYSA-N 0 2 376.188 2.709 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)c1F ZINC000121603119 677399845 /nfs/dbraw/zinc/39/98/45/677399845.db2.gz WOGZDLKOCRYTMH-XMMPIXPASA-N 0 2 386.426 2.722 20 5 GFBDLN CCN1CCc2nc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)sc2C1 ZINC000121489616 551235328 /nfs/dbraw/zinc/23/53/28/551235328.db2.gz AMEFTAQZWVHMER-UHFFFAOYSA-N 0 2 382.467 2.539 20 5 GFBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)ccc1Cl ZINC000137196956 551390815 /nfs/dbraw/zinc/39/08/15/551390815.db2.gz MAMJIKYQXPHMBT-UHFFFAOYSA-N 0 2 386.817 2.597 20 5 GFBDLN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000154725488 551481447 /nfs/dbraw/zinc/48/14/47/551481447.db2.gz YFPPRMSNAIUVES-UHFFFAOYSA-N 0 2 384.175 2.976 20 5 GFBDLN CC(C)c1nc(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000295382332 563244747 /nfs/dbraw/zinc/24/47/47/563244747.db2.gz TZYFMQHDKKCAMU-UHFFFAOYSA-N 0 2 394.240 2.622 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c([N+](=O)[O-])c1 ZINC000298665626 563363452 /nfs/dbraw/zinc/36/34/52/563363452.db2.gz QCAOMLQDFQNSSD-UHFFFAOYSA-N 0 2 384.395 2.639 20 5 GFBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000414448437 563738147 /nfs/dbraw/zinc/73/81/47/563738147.db2.gz ZZJURGZKZIXZHS-UHFFFAOYSA-N 0 2 380.304 2.921 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442822514 563780136 /nfs/dbraw/zinc/78/01/36/563780136.db2.gz GJKNSSQPMZIRHE-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cn2)c(Br)c1 ZINC000442852500 563782411 /nfs/dbraw/zinc/78/24/11/563782411.db2.gz SJLVRHVNUNJHSQ-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000483399667 564566387 /nfs/dbraw/zinc/56/63/87/564566387.db2.gz WIBKZPAGLALARI-UHFFFAOYSA-N 0 2 382.167 2.673 20 5 GFBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2ncc(C)s2)cc([N+](=O)[O-])c1C ZINC000523898553 564674347 /nfs/dbraw/zinc/67/43/47/564674347.db2.gz KUASUSLVHYQFBG-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cn2ccc(Br)cc2n1 ZINC000552140115 564679394 /nfs/dbraw/zinc/67/93/94/564679394.db2.gz PSGKODTZWXJXEV-UHFFFAOYSA-N 0 2 377.154 2.963 20 5 GFBDLN Cc1nnsc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000490412224 564769697 /nfs/dbraw/zinc/76/96/97/564769697.db2.gz DUGHUYMAJSQGCN-UHFFFAOYSA-N 0 2 383.238 2.540 20 5 GFBDLN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cnn(C(F)F)c1 ZINC000463792742 564890800 /nfs/dbraw/zinc/89/08/00/564890800.db2.gz AKUFXMDAFOBIFW-UHFFFAOYSA-N 0 2 397.157 2.750 20 5 GFBDLN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466973674 564951522 /nfs/dbraw/zinc/95/15/22/564951522.db2.gz OKJQGDDCTWLEAJ-UHFFFAOYSA-N 0 2 384.439 2.907 20 5 GFBDLN Cc1nn2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)cnc2c1Cl ZINC000537653394 565060955 /nfs/dbraw/zinc/06/09/55/565060955.db2.gz ZZSNVEKGVYKIDI-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000594486772 565395754 /nfs/dbraw/zinc/39/57/54/565395754.db2.gz IGPULGSDUVSXKE-BXKDBHETSA-N 0 2 386.323 2.512 20 5 GFBDLN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000603978937 565920457 /nfs/dbraw/zinc/92/04/57/565920457.db2.gz TZGZIHIUZHGMPP-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000609027035 566028815 /nfs/dbraw/zinc/02/88/15/566028815.db2.gz FDGIJWAGWAQUPU-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN CC[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000610409393 566079943 /nfs/dbraw/zinc/07/99/43/566079943.db2.gz FKQBWMSPRCGDRJ-SSDOTTSWSA-N 0 2 396.372 2.895 20 5 GFBDLN C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237680962 601393854 /nfs/dbraw/zinc/39/38/54/601393854.db2.gz MEISMMYINSIFBV-FZKQIMNGSA-N 0 2 394.387 2.972 20 5 GFBDLN O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000537403868 601471001 /nfs/dbraw/zinc/47/10/01/601471001.db2.gz PXFHDGINZVSPLH-SFHVURJKSA-N 0 2 392.371 2.605 20 5 GFBDLN CC(C)n1ccnc1C[N@@H+]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833513794 605182699 /nfs/dbraw/zinc/18/26/99/605182699.db2.gz SEVKJCHSVSRQKZ-UHFFFAOYSA-N 0 2 387.440 2.783 20 5 GFBDLN CC(C)n1ccnc1C[N@H+]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833513794 605182702 /nfs/dbraw/zinc/18/27/02/605182702.db2.gz SEVKJCHSVSRQKZ-UHFFFAOYSA-N 0 2 387.440 2.783 20 5 GFBDLN Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1[N+](=O)[O-] ZINC000821132626 660316978 /nfs/dbraw/zinc/31/69/78/660316978.db2.gz ULVLATVESMOVPZ-UHFFFAOYSA-N 0 2 377.300 2.702 20 5 GFBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000830840676 660682981 /nfs/dbraw/zinc/68/29/81/660682981.db2.gz KZYFKFDKWSHPJJ-CYBMUJFWSA-N 0 2 379.722 2.531 20 5 GFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000022185302 654531968 /nfs/dbraw/zinc/53/19/68/654531968.db2.gz KLXIWCKNLSLJQF-UHFFFAOYSA-N 0 2 378.797 2.818 20 5 GFBDLN NC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl ZINC000047522137 654696422 /nfs/dbraw/zinc/69/64/22/654696422.db2.gz NSRSRTYVQJSOLM-UHFFFAOYSA-N 0 2 390.204 2.801 20 5 GFBDLN Cc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000276856842 655290609 /nfs/dbraw/zinc/29/06/09/655290609.db2.gz JUJUFTNDGIYZOL-UHFFFAOYSA-N 0 2 386.411 2.994 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000473757899 655414262 /nfs/dbraw/zinc/41/42/62/655414262.db2.gz KENNCBWWVYRRIS-UHFFFAOYSA-N 0 2 383.329 2.880 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)ccc1[N+](=O)[O-] ZINC000473758188 655414265 /nfs/dbraw/zinc/41/42/65/655414265.db2.gz YGDSFSGXZGESCL-UHFFFAOYSA-N 0 2 383.329 2.880 20 5 GFBDLN Cc1cc(C)nc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000194189894 655414709 /nfs/dbraw/zinc/41/47/09/655414709.db2.gz PVXDVBNNDFMCIV-UHFFFAOYSA-N 0 2 387.215 2.565 20 5 GFBDLN CC(C)(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000758427443 655932440 /nfs/dbraw/zinc/93/24/40/655932440.db2.gz OPWZJYRGNUUCCZ-SNVBAGLBSA-N 0 2 385.320 2.758 20 5 GFBDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000767162129 656195337 /nfs/dbraw/zinc/19/53/37/656195337.db2.gz TYTFMLNWHWHWCJ-UHFFFAOYSA-N 0 2 384.797 3.000 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)cc1C ZINC000775100817 656599606 /nfs/dbraw/zinc/59/96/06/656599606.db2.gz HVJLSIJDYCADCQ-UHFFFAOYSA-N 0 2 380.304 2.500 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2cccnc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000792662699 658307439 /nfs/dbraw/zinc/30/74/39/658307439.db2.gz XZMLLUNEDDYQRN-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000808078985 659875809 /nfs/dbraw/zinc/87/58/09/659875809.db2.gz JXXDRMDHXNUHJX-LAEOZQHASA-N 0 2 380.754 2.925 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000126309365 551328116 /nfs/dbraw/zinc/32/81/16/551328116.db2.gz CEJYPUUUMQCEGQ-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1O)Nc1cc(Cl)ccc1Cl ZINC000181778588 552267659 /nfs/dbraw/zinc/26/76/59/552267659.db2.gz IHSKQCXJJUFITC-UHFFFAOYSA-N 0 2 384.175 2.976 20 5 GFBDLN CCCc1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000414448893 563738333 /nfs/dbraw/zinc/73/83/33/563738333.db2.gz BXTRDNVARDZDMT-UHFFFAOYSA-N 0 2 380.304 2.750 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc(CN(C)C)cs2)cc1[N+](=O)[O-] ZINC000414462919 563740689 /nfs/dbraw/zinc/74/06/89/563740689.db2.gz UWLYQPBMJADGNL-UHFFFAOYSA-N 0 2 390.874 2.876 20 5 GFBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000448005773 563893148 /nfs/dbraw/zinc/89/31/48/563893148.db2.gz XAGBHVWMSJYMES-UHFFFAOYSA-N 0 2 375.435 2.961 20 5 GFBDLN CC(C)(CO)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000564255131 564226534 /nfs/dbraw/zinc/22/65/34/564226534.db2.gz JHPCLCIPQUDDAT-CQSZACIVSA-N 0 2 388.442 2.834 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nc(CC(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000451058375 564268978 /nfs/dbraw/zinc/26/89/78/564268978.db2.gz SSDGKUAAPRCVSC-UHFFFAOYSA-N 0 2 397.356 2.966 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000475801006 564321261 /nfs/dbraw/zinc/32/12/61/564321261.db2.gz YLXAQDIUNKALLC-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cn1 ZINC000542942154 564333171 /nfs/dbraw/zinc/33/31/71/564333171.db2.gz MVYAKWPEUKHQPM-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000547777701 564510668 /nfs/dbraw/zinc/51/06/68/564510668.db2.gz KGJBKNMKMWRWNC-UHFFFAOYSA-N 0 2 384.175 2.976 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)ccc1[N+](=O)[O-] ZINC000481847546 564526055 /nfs/dbraw/zinc/52/60/55/564526055.db2.gz ZSVZIRQNGZIDPR-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN Cc1nc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)ccc1[N+](=O)[O-] ZINC000463462646 564882535 /nfs/dbraw/zinc/88/25/35/564882535.db2.gz PXTALJJGQROVPV-UHFFFAOYSA-N 0 2 385.785 2.524 20 5 GFBDLN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Cl)c1O ZINC000537755189 565062490 /nfs/dbraw/zinc/06/24/90/565062490.db2.gz IHNNQLSSQMBVNQ-UHFFFAOYSA-N 0 2 384.175 2.976 20 5 GFBDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000537750248 565062553 /nfs/dbraw/zinc/06/25/53/565062553.db2.gz YALHCUYCYIQZFL-UHFFFAOYSA-N 0 2 384.797 3.000 20 5 GFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000591582515 565234074 /nfs/dbraw/zinc/23/40/74/565234074.db2.gz XYYBYGMTUXNQJB-UHFFFAOYSA-N 0 2 378.284 3.000 20 5 GFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)nn2C)c1[N+](=O)[O-] ZINC000596047113 565509484 /nfs/dbraw/zinc/50/94/84/565509484.db2.gz USICTGSZUMMGDO-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccccc2[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000600664064 565743251 /nfs/dbraw/zinc/74/32/51/565743251.db2.gz SMIGVVGDEMJWDA-NSHDSACASA-N 0 2 381.435 2.717 20 5 GFBDLN Nc1ncc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611103115 566115077 /nfs/dbraw/zinc/11/50/77/566115077.db2.gz HATWIGMGQWKMOP-UHFFFAOYSA-N 0 2 394.743 2.628 20 5 GFBDLN C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000827695405 600935962 /nfs/dbraw/zinc/93/59/62/600935962.db2.gz RXOUQOJVGPDROZ-GFCCVEGCSA-N 0 2 380.360 2.970 20 5 GFBDLN COc1cc(C[N@@H+]2CCC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739860774 601973162 /nfs/dbraw/zinc/97/31/62/601973162.db2.gz SJXOXFQHYPDFOS-NSHDSACASA-N 0 2 389.355 2.779 20 5 GFBDLN COc1cc(C[N@H+]2CCC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739860774 601973165 /nfs/dbraw/zinc/97/31/65/601973165.db2.gz SJXOXFQHYPDFOS-NSHDSACASA-N 0 2 389.355 2.779 20 5 GFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738632164 602539705 /nfs/dbraw/zinc/53/97/05/602539705.db2.gz ZTMDAICCLLFPTM-MNOVXSKESA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738632164 602539706 /nfs/dbraw/zinc/53/97/06/602539706.db2.gz ZTMDAICCLLFPTM-MNOVXSKESA-N 0 2 384.820 2.507 20 5 GFBDLN CC(C)[C@H](CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NC(=O)[O-] ZINC000824091393 603557285 /nfs/dbraw/zinc/55/72/85/603557285.db2.gz COZIXIPUMNZJQG-AWEZNQCLSA-N 0 2 389.412 2.535 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+]2CCC[C@H]2CC(=O)[O-])c1=S ZINC000830402916 604981647 /nfs/dbraw/zinc/98/16/47/604981647.db2.gz DNOGCBFOTZFZDZ-AWEZNQCLSA-N 0 2 391.453 2.906 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1=S ZINC000830402916 604981650 /nfs/dbraw/zinc/98/16/50/604981650.db2.gz DNOGCBFOTZFZDZ-AWEZNQCLSA-N 0 2 391.453 2.906 20 5 GFBDLN Cn1ccnc1[C@@H]([NH2+]CC1(NC(=O)[O-])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000833955323 605814121 /nfs/dbraw/zinc/81/41/21/605814121.db2.gz QLLRTJPECJYZHM-INIZCTEOSA-N 0 2 387.440 2.978 20 5 GFBDLN CC(C)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1 ZINC000820192367 607153441 /nfs/dbraw/zinc/15/34/41/607153441.db2.gz LEMLPOQVTPJCKY-UHFFFAOYSA-N 0 2 388.409 2.699 20 5 GFBDLN COC(=O)c1sccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047521948 654696345 /nfs/dbraw/zinc/69/63/45/654696345.db2.gz SCTLJHMRUANPMG-UHFFFAOYSA-N 0 2 376.799 2.897 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000066247228 654897566 /nfs/dbraw/zinc/89/75/66/654897566.db2.gz MOAPLYBBQFBYNZ-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN CCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)o1 ZINC000778100829 656863126 /nfs/dbraw/zinc/86/31/26/656863126.db2.gz CJDVXSSPWJTWQG-UHFFFAOYSA-N 0 2 376.188 2.709 20 5 GFBDLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000531888972 532640270 /nfs/dbraw/zinc/64/02/70/532640270.db2.gz JTJNLNRPGWVKPN-UHFFFAOYSA-N 0 2 389.169 2.790 20 5 GFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000160586368 551582880 /nfs/dbraw/zinc/58/28/80/551582880.db2.gz PLYWQCSQGHABAZ-UHFFFAOYSA-N 0 2 396.226 2.687 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ncn(-c2ccccc2)n1 ZINC000181359095 552254775 /nfs/dbraw/zinc/25/47/75/552254775.db2.gz DXYZRQNKKRZHAT-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000187968835 552429346 /nfs/dbraw/zinc/42/93/46/552429346.db2.gz ULHBBCQUWBPACP-VIFPVBQESA-N 0 2 388.833 2.761 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000295366659 563244013 /nfs/dbraw/zinc/24/40/13/563244013.db2.gz RZOAPQGLDZOCFU-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)s1 ZINC000451083215 564271889 /nfs/dbraw/zinc/27/18/89/564271889.db2.gz VOVSZZBDLHGAMC-UHFFFAOYSA-N 0 2 375.453 2.808 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1C(C)C ZINC000451092180 564272842 /nfs/dbraw/zinc/27/28/42/564272842.db2.gz BORSOPAFRFDMOW-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN CSc1cccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000476810748 564353582 /nfs/dbraw/zinc/35/35/82/564353582.db2.gz VPANYMBPGOTGEK-UHFFFAOYSA-N 0 2 382.419 2.889 20 5 GFBDLN CC(C)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 ZINC000516753881 564510921 /nfs/dbraw/zinc/51/09/21/564510921.db2.gz OFWGBKXYXZQYKQ-UHFFFAOYSA-N 0 2 380.304 2.921 20 5 GFBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000461109295 564790069 /nfs/dbraw/zinc/79/00/69/564790069.db2.gz SSEDUCRNFNPACQ-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1Cl ZINC000463470068 564882366 /nfs/dbraw/zinc/88/23/66/564882366.db2.gz INGMJTQKSPAWAY-UHFFFAOYSA-N 0 2 384.801 2.711 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000586755092 565114948 /nfs/dbraw/zinc/11/49/48/565114948.db2.gz WZVKCIMYZHACCO-UHFFFAOYSA-N 0 2 387.464 2.650 20 5 GFBDLN Cc1nc(C)c(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000599316117 565669941 /nfs/dbraw/zinc/66/99/41/565669941.db2.gz CTLNVMIGDWLYAY-UHFFFAOYSA-N 0 2 380.209 2.985 20 5 GFBDLN Cc1cc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000601460668 565785415 /nfs/dbraw/zinc/78/54/15/565785415.db2.gz KJVXWZYZRYWPMB-SCZZXKLOSA-N 0 2 388.389 2.743 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)nc1 ZINC000611183358 566119640 /nfs/dbraw/zinc/11/96/40/566119640.db2.gz VRQVQPHAOAFJJQ-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000537403854 601471066 /nfs/dbraw/zinc/47/10/66/601471066.db2.gz PXFHDGINZVSPLH-GOSISDBHSA-N 0 2 392.371 2.605 20 5 GFBDLN Cc1nn(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C(F)(F)F ZINC000820797311 660306590 /nfs/dbraw/zinc/30/65/90/660306590.db2.gz JJWSWORZJVAWES-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)cs1 ZINC000120159844 655329559 /nfs/dbraw/zinc/32/95/59/655329559.db2.gz ZTSPVSIGWHYCRZ-UHFFFAOYSA-N 0 2 385.814 2.691 20 5 GFBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000768846813 656255968 /nfs/dbraw/zinc/25/59/68/656255968.db2.gz BHFKAVJAEVHPTB-UHFFFAOYSA-N 0 2 385.785 2.621 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)c1C ZINC000775103360 656600219 /nfs/dbraw/zinc/60/02/19/656600219.db2.gz VZTLNYVAIILAQK-UHFFFAOYSA-N 0 2 380.304 2.500 20 5 GFBDLN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000775156855 656604794 /nfs/dbraw/zinc/60/47/94/656604794.db2.gz HTGZNGNDMZAWIQ-WRWORJQWSA-N 0 2 385.320 2.758 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000798247173 659088806 /nfs/dbraw/zinc/08/88/06/659088806.db2.gz QNSVMJXYZXRXSH-UHFFFAOYSA-N 0 2 388.760 2.959 20 5 GFBDLN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000843878996 661395514 /nfs/dbraw/zinc/39/55/14/661395514.db2.gz SDQWWSQDWVPRDE-SSDOTTSWSA-N 0 2 386.195 2.745 20 5 GFBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000153600663 551456474 /nfs/dbraw/zinc/45/64/74/551456474.db2.gz YINNGPSYNITDEZ-UHFFFAOYSA-N 0 2 380.304 2.921 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1C ZINC000161666277 551597150 /nfs/dbraw/zinc/59/71/50/551597150.db2.gz UHSAAQVPUKDXOV-UHFFFAOYSA-N 0 2 383.813 2.765 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)c([N+](=O)[O-])c1 ZINC000298311726 563351308 /nfs/dbraw/zinc/35/13/08/563351308.db2.gz NXTHNNBNHAVHQH-UHFFFAOYSA-N 0 2 383.407 2.516 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c(F)c1 ZINC000375713659 563415749 /nfs/dbraw/zinc/41/57/49/563415749.db2.gz DKBAXYXQPBPMQB-UHFFFAOYSA-N 0 2 375.428 2.781 20 5 GFBDLN Cc1cnn(C)c1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000285196181 563508648 /nfs/dbraw/zinc/50/86/48/563508648.db2.gz SJUFKWWNJZMWCH-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nn1CC(F)(F)F ZINC000416958839 563864066 /nfs/dbraw/zinc/86/40/66/563864066.db2.gz UQOOVEMGPQDFEL-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccsc3)o2)c(F)c1 ZINC000446954367 563871016 /nfs/dbraw/zinc/87/10/16/563871016.db2.gz NTCKNZRURXNRDS-UHFFFAOYSA-N 0 2 384.370 2.570 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)c1 ZINC000446971602 563871438 /nfs/dbraw/zinc/87/14/38/563871438.db2.gz GDPBTYHAFJQUPX-UHFFFAOYSA-N 0 2 379.423 2.859 20 5 GFBDLN COC(=O)c1c(C)csc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000508067257 564251852 /nfs/dbraw/zinc/25/18/52/564251852.db2.gz IMCUBOZCOPSTSG-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000544623982 564390374 /nfs/dbraw/zinc/39/03/74/564390374.db2.gz JPKYOPDYVMEDEJ-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1C ZINC000480727761 564485130 /nfs/dbraw/zinc/48/51/30/564485130.db2.gz KVGUXQVFBHSHEW-UHFFFAOYSA-N 0 2 383.813 2.765 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)cc1 ZINC000460646050 564777609 /nfs/dbraw/zinc/77/76/09/564777609.db2.gz CABARHHNGNYQIE-UHFFFAOYSA-N 0 2 397.210 2.806 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c(C)cc1Br ZINC000461113182 564790076 /nfs/dbraw/zinc/79/00/76/564790076.db2.gz WECSVCISLIXEFQ-UHFFFAOYSA-N 0 2 386.227 2.592 20 5 GFBDLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000461107860 564790169 /nfs/dbraw/zinc/79/01/69/564790169.db2.gz OLLHPHQRIYKARJ-UHFFFAOYSA-N 0 2 386.227 2.592 20 5 GFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1O ZINC000468355054 564983045 /nfs/dbraw/zinc/98/30/45/564983045.db2.gz BQXRTBYKAXGKHZ-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000594486775 565395558 /nfs/dbraw/zinc/39/55/58/565395558.db2.gz IGPULGSDUVSXKE-SKDRFNHKSA-N 0 2 386.323 2.512 20 5 GFBDLN CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000736191150 600123376 /nfs/dbraw/zinc/12/33/76/600123376.db2.gz UYLGFPLFPAAFBN-UHFFFAOYSA-N 0 2 395.327 2.901 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000833817223 605677917 /nfs/dbraw/zinc/67/79/17/605677917.db2.gz HAQGOUHKLUSFAR-SJKOYZFVSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000833817223 605677921 /nfs/dbraw/zinc/67/79/21/605677921.db2.gz HAQGOUHKLUSFAR-SJKOYZFVSA-N 0 2 375.381 2.712 20 5 GFBDLN Cn1ccnc1[C@H]([NH2+]CC1(NC(=O)[O-])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000833955324 605813643 /nfs/dbraw/zinc/81/36/43/605813643.db2.gz QLLRTJPECJYZHM-MRXNPFEDSA-N 0 2 387.440 2.978 20 5 GFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832962 605910056 /nfs/dbraw/zinc/91/00/56/605910056.db2.gz VYAIQBYQEWQZAT-GMTAPVOTSA-N 0 2 384.820 2.553 20 5 GFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832962 605910057 /nfs/dbraw/zinc/91/00/57/605910057.db2.gz VYAIQBYQEWQZAT-GMTAPVOTSA-N 0 2 384.820 2.553 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000822271219 606723657 /nfs/dbraw/zinc/72/36/57/606723657.db2.gz RDFJIJICKNHIGJ-UHFFFAOYSA-N 0 2 380.412 2.559 20 5 GFBDLN CCOc1ccc2nc(Sc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])[nH]c2c1 ZINC000821427016 607162830 /nfs/dbraw/zinc/16/28/30/607162830.db2.gz MFIXPODNWCIESM-UHFFFAOYSA-N 0 2 384.381 2.596 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000277236005 655309136 /nfs/dbraw/zinc/30/91/36/655309136.db2.gz JVEGMOGCXNMQKD-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN COCc1cnc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000285002560 655342934 /nfs/dbraw/zinc/34/29/34/655342934.db2.gz GIRBNKSURXEYQL-UHFFFAOYSA-N 0 2 377.831 2.960 20 5 GFBDLN Cc1nc(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C ZINC000840362232 661157530 /nfs/dbraw/zinc/15/75/30/661157530.db2.gz FZLAZEPKGHMRTB-VXGBXAGGSA-N 0 2 379.214 2.762 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncc(F)c2)cc1Br ZINC000799186163 659171929 /nfs/dbraw/zinc/17/19/29/659171929.db2.gz NOHIJCWDRSSFRN-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cccc3c2CNC3=O)c1 ZINC000808114690 659878079 /nfs/dbraw/zinc/87/80/79/659878079.db2.gz FFGJRGTVCDKBJE-UHFFFAOYSA-N 0 2 381.797 2.601 20 5 GFBDLN CC1CCN(CCNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000809390952 659926114 /nfs/dbraw/zinc/92/61/14/659926114.db2.gz LBXXIHULKRHWFD-UHFFFAOYSA-N 0 2 396.296 2.912 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)c1 ZINC000811717639 660014737 /nfs/dbraw/zinc/01/47/37/660014737.db2.gz QKOBIKPYEOSVOO-UHFFFAOYSA-N 0 2 382.785 2.939 20 5 GFBDLN Cc1oncc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000153323382 551450739 /nfs/dbraw/zinc/45/07/39/551450739.db2.gz OULPWVNNESPMSP-UHFFFAOYSA-N 0 2 376.188 2.763 20 5 GFBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000185960768 552375911 /nfs/dbraw/zinc/37/59/11/552375911.db2.gz WWELOHVXRRIPKS-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1[N+](=O)[O-] ZINC000189247769 552466498 /nfs/dbraw/zinc/46/64/98/552466498.db2.gz NWAWFVFIKWEKRO-UHFFFAOYSA-N 0 2 383.813 2.765 20 5 GFBDLN CN1C(=O)Cc2cc(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc21 ZINC000193455176 552994167 /nfs/dbraw/zinc/99/41/67/552994167.db2.gz VXJAVYWJJQUWEX-UHFFFAOYSA-N 0 2 381.797 2.568 20 5 GFBDLN O=C(NCc1cc(Br)cc2c1OCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000326725354 563456148 /nfs/dbraw/zinc/45/61/48/563456148.db2.gz FKHLLDAIZLQPRW-UHFFFAOYSA-N 0 2 393.193 2.928 20 5 GFBDLN CCn1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C(F)(F)F ZINC000410407782 563589867 /nfs/dbraw/zinc/58/98/67/563589867.db2.gz YWCVRMCJASSTPE-UHFFFAOYSA-N 0 2 378.332 2.939 20 5 GFBDLN O=C(N[C@@H](CCO)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1O ZINC000436900874 563684663 /nfs/dbraw/zinc/68/46/63/563684663.db2.gz DZXMWAXDBQNJQD-AWEZNQCLSA-N 0 2 395.209 2.916 20 5 GFBDLN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(F)cc(Br)c1O ZINC000436990248 563687548 /nfs/dbraw/zinc/68/75/48/563687548.db2.gz UXIIGLCQSBOZBR-UHFFFAOYSA-N 0 2 395.144 2.753 20 5 GFBDLN Cc1nn2cc(S(=O)(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cnc2c1Cl ZINC000538756550 564200501 /nfs/dbraw/zinc/20/05/01/564200501.db2.gz LANNOQYZJKUCRP-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl ZINC000491089185 564786060 /nfs/dbraw/zinc/78/60/60/564786060.db2.gz DQQWRVHQRFOCHD-UHFFFAOYSA-N 0 2 390.204 2.801 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000461105654 564789662 /nfs/dbraw/zinc/78/96/62/564789662.db2.gz FBOYTBYNLMWJLT-UHFFFAOYSA-N 0 2 392.618 2.628 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc(C(C)(C)C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000466966871 564951587 /nfs/dbraw/zinc/95/15/87/564951587.db2.gz JZXAEOVQKVMPCN-UHFFFAOYSA-N 0 2 383.451 2.528 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2F)cc([N+](=O)[O-])c1 ZINC000585733000 565108199 /nfs/dbraw/zinc/10/81/99/565108199.db2.gz RZZFSOAQBMDOEZ-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1 ZINC000610954940 566107820 /nfs/dbraw/zinc/10/78/20/566107820.db2.gz FWJLZWBWJICDAZ-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000611194087 566120620 /nfs/dbraw/zinc/12/06/20/566120620.db2.gz DVJSGOCXKQYENI-JTQLQIEISA-N 0 2 383.451 2.963 20 5 GFBDLN COC(=O)c1csc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000611443566 566130030 /nfs/dbraw/zinc/13/00/30/566130030.db2.gz FAIQMNIDGGPRRG-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000613263245 566191769 /nfs/dbraw/zinc/19/17/69/566191769.db2.gz TZHMYTUPQAZRFQ-UHFFFAOYSA-N 0 2 384.439 2.736 20 5 GFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736216410 600291038 /nfs/dbraw/zinc/29/10/38/600291038.db2.gz QGSQANHNUIBASG-PWSUYJOCSA-N 0 2 381.816 2.762 20 5 GFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738632166 602539675 /nfs/dbraw/zinc/53/96/75/602539675.db2.gz ZTMDAICCLLFPTM-WDEREUQCSA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738632166 602539676 /nfs/dbraw/zinc/53/96/76/602539676.db2.gz ZTMDAICCLLFPTM-WDEREUQCSA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000833816505 605676932 /nfs/dbraw/zinc/67/69/32/605676932.db2.gz DHSIAOCLPTYBOL-SJKOYZFVSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000833816505 605676934 /nfs/dbraw/zinc/67/69/34/605676934.db2.gz DHSIAOCLPTYBOL-SJKOYZFVSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832968 605910064 /nfs/dbraw/zinc/91/00/64/605910064.db2.gz VYAIQBYQEWQZAT-OUAUKWLOSA-N 0 2 384.820 2.553 20 5 GFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832968 605910067 /nfs/dbraw/zinc/91/00/67/605910067.db2.gz VYAIQBYQEWQZAT-OUAUKWLOSA-N 0 2 384.820 2.553 20 5 GFBDLN CCCc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1 ZINC000821143430 607153987 /nfs/dbraw/zinc/15/39/87/607153987.db2.gz VFDFVXJWKLNHAF-UHFFFAOYSA-N 0 2 388.409 2.528 20 5 GFBDLN Cc1cccc2nc(CNS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH]c21 ZINC000129952496 654878893 /nfs/dbraw/zinc/87/88/93/654878893.db2.gz ZFTHUELPFIXTIK-UHFFFAOYSA-N 0 2 380.813 2.911 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1C ZINC000066250255 654897968 /nfs/dbraw/zinc/89/79/68/654897968.db2.gz AGQIQQUDASLYEC-UHFFFAOYSA-N 0 2 391.814 2.601 20 5 GFBDLN CCc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 ZINC000790633258 658005096 /nfs/dbraw/zinc/00/50/96/658005096.db2.gz BLELFSVCRYTNRJ-UHFFFAOYSA-N 0 2 386.411 2.940 20 5 GFBDLN COC[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000815022326 660102926 /nfs/dbraw/zinc/10/29/26/660102926.db2.gz OHWWAWCJQOPBJR-LLVKDONJSA-N 0 2 392.792 2.955 20 5 GFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2cc(Br)c3c(c2)OCCCO3)no1 ZINC000842492112 661341979 /nfs/dbraw/zinc/34/19/79/661341979.db2.gz WZIGLDFNMQLYBP-MWLCHTKSSA-N 0 2 396.197 2.717 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c1C ZINC000121195573 551229182 /nfs/dbraw/zinc/22/91/82/551229182.db2.gz CZKMUWQZJDATSX-UHFFFAOYSA-N 0 2 382.345 2.883 20 5 GFBDLN O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000121854084 551244451 /nfs/dbraw/zinc/24/44/51/551244451.db2.gz PULVACCYMLXTLO-UHFFFAOYSA-N 0 2 391.181 2.641 20 5 GFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ncc([N+](=O)[O-])cc1Br ZINC000160603209 551583350 /nfs/dbraw/zinc/58/33/50/551583350.db2.gz OQUDFTGMHOMPCH-UHFFFAOYSA-N 0 2 396.226 2.687 20 5 GFBDLN Cc1cc(I)cnc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164295046 551625324 /nfs/dbraw/zinc/62/53/24/551625324.db2.gz YKNBBNMGXHLFGM-UHFFFAOYSA-N 0 2 399.144 2.861 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000172674894 551684922 /nfs/dbraw/zinc/68/49/22/551684922.db2.gz UOGOFZQXLUNLJI-UHFFFAOYSA-N 0 2 375.815 2.578 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccncc3)ns2)cc1[N+](=O)[O-] ZINC000182562132 552287617 /nfs/dbraw/zinc/28/76/17/552287617.db2.gz JRSFZMBVDIAJIM-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN O=C(N[C@H](CO)c1cccc(Br)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183597756 552313858 /nfs/dbraw/zinc/31/38/58/552313858.db2.gz YHTGGTACMBKFEW-GFCCVEGCSA-N 0 2 381.182 2.526 20 5 GFBDLN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1I ZINC000192687790 552971566 /nfs/dbraw/zinc/97/15/66/552971566.db2.gz OCSFDYSQDOXCBW-UHFFFAOYSA-N 0 2 399.144 2.861 20 5 GFBDLN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000424216391 563374869 /nfs/dbraw/zinc/37/48/69/563374869.db2.gz SAGIQPUFVWYPDQ-RXMQYKEDSA-N 0 2 377.138 2.586 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000326014577 563454682 /nfs/dbraw/zinc/45/46/82/563454682.db2.gz NCLCZKKGVUHDRX-UHFFFAOYSA-N 0 2 376.749 2.902 20 5 GFBDLN COC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000390711512 563523470 /nfs/dbraw/zinc/52/34/70/563523470.db2.gz ICRJSJSMCSODDN-UHFFFAOYSA-N 0 2 376.799 2.897 20 5 GFBDLN CN(C)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000414455584 563739670 /nfs/dbraw/zinc/73/96/70/563739670.db2.gz HSXRHOQMNRTAFQ-UHFFFAOYSA-N 0 2 376.847 2.567 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c([N+](=O)[O-])n1 ZINC000443414969 563804766 /nfs/dbraw/zinc/80/47/66/563804766.db2.gz DOQDXHPNAWTSMZ-UHFFFAOYSA-N 0 2 379.423 2.736 20 5 GFBDLN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000366602533 563815407 /nfs/dbraw/zinc/81/54/07/563815407.db2.gz NWQVVCIDJXUZOE-UHFFFAOYSA-N 0 2 389.169 2.790 20 5 GFBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000539856533 564230678 /nfs/dbraw/zinc/23/06/78/564230678.db2.gz WNZXKDMLWKGFCL-UHFFFAOYSA-N 0 2 385.785 2.621 20 5 GFBDLN COC(=O)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000508066660 564251443 /nfs/dbraw/zinc/25/14/43/564251443.db2.gz DNRVJQADFVJULT-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Cl)c1O ZINC000542236494 564305791 /nfs/dbraw/zinc/30/57/91/564305791.db2.gz HQEUUFMWFGZIEM-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2o1 ZINC000475838903 564322105 /nfs/dbraw/zinc/32/21/05/564322105.db2.gz YRFFSEBCMUSRGQ-UHFFFAOYSA-N 0 2 387.732 2.623 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2noc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000567996018 564399881 /nfs/dbraw/zinc/39/98/81/564399881.db2.gz RQELRESXUFIFGE-UHFFFAOYSA-N 0 2 380.407 2.546 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc1[N+](=O)[O-] ZINC000484619860 564592601 /nfs/dbraw/zinc/59/26/01/564592601.db2.gz PQBPESHVJQBRFE-UHFFFAOYSA-N 0 2 380.760 2.819 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cnccc1-n1cccn1 ZINC000523458469 564667305 /nfs/dbraw/zinc/66/73/05/564667305.db2.gz GSIHLUWWMIXHJI-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000461116006 564789767 /nfs/dbraw/zinc/78/97/67/564789767.db2.gz ITXVNWATRAJSOO-UHFFFAOYSA-N 0 2 392.618 2.628 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)cc1[N+](=O)[O-] ZINC000493282417 564806490 /nfs/dbraw/zinc/80/64/90/564806490.db2.gz TXYATKFFTSMXFZ-UHFFFAOYSA-N 0 2 376.316 2.821 20 5 GFBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl ZINC000560410042 564960255 /nfs/dbraw/zinc/96/02/55/564960255.db2.gz JOKOBSPZPABWMN-UHFFFAOYSA-N 0 2 384.175 2.976 20 5 GFBDLN CCc1nnc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000534243871 564983461 /nfs/dbraw/zinc/98/34/61/564983461.db2.gz JJCWWUGFNSFGET-LURJTMIESA-N 0 2 394.240 2.622 20 5 GFBDLN CCc1nc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000534243871 564983465 /nfs/dbraw/zinc/98/34/65/564983465.db2.gz JJCWWUGFNSFGET-LURJTMIESA-N 0 2 394.240 2.622 20 5 GFBDLN CCCCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000469352855 565014729 /nfs/dbraw/zinc/01/47/29/565014729.db2.gz XDTMNEKJWHMTQI-UHFFFAOYSA-N 0 2 386.455 2.988 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)ccc1[N+](=O)[O-] ZINC000609848984 566055025 /nfs/dbraw/zinc/05/50/25/566055025.db2.gz PQVUCQGYSFDUCI-UHFFFAOYSA-N 0 2 376.419 2.644 20 5 GFBDLN C[C@@H](c1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000736718631 599765671 /nfs/dbraw/zinc/76/56/71/599765671.db2.gz TYNODORWUGAWOH-ZDUSSCGKSA-N 0 2 399.403 2.939 20 5 GFBDLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737972334 599857143 /nfs/dbraw/zinc/85/71/43/599857143.db2.gz NRNUKKHWXJBXOB-INIZCTEOSA-N 0 2 393.783 2.611 20 5 GFBDLN CCn1cc[nH+]c1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832025307 660747663 /nfs/dbraw/zinc/74/76/63/660747663.db2.gz KFLLNLPGNINACA-UHFFFAOYSA-N 0 2 379.225 2.597 20 5 GFBDLN COC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007708993 654475655 /nfs/dbraw/zinc/47/56/55/654475655.db2.gz YVVNEPOBKBUBFL-UHFFFAOYSA-N 0 2 376.799 2.897 20 5 GFBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)s1 ZINC000193774610 655412277 /nfs/dbraw/zinc/41/22/77/655412277.db2.gz HKOXIBGBBPLSPL-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)nc1 ZINC000743048706 655725840 /nfs/dbraw/zinc/72/58/40/655725840.db2.gz XFULXVKGLHLLTM-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccnc3)ns2)ccc1Cl ZINC000755439036 655883288 /nfs/dbraw/zinc/88/32/88/655883288.db2.gz ZSMYPTTXORSSGS-UHFFFAOYSA-N 0 2 397.825 2.963 20 5 GFBDLN Cc1nn(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1C ZINC000107037022 551201414 /nfs/dbraw/zinc/20/14/14/551201414.db2.gz ZJCYCBRMMCHGBV-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)c1C ZINC000185658839 552368579 /nfs/dbraw/zinc/36/85/79/552368579.db2.gz NXKXWWVFKGJSBG-XMMPIXPASA-N 0 2 382.463 2.891 20 5 GFBDLN CC(C)n1ncnc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000416483019 563836635 /nfs/dbraw/zinc/83/66/35/563836635.db2.gz IBJJJPBQILCODY-UHFFFAOYSA-N 0 2 394.240 2.553 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc3ccc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000447281714 563879153 /nfs/dbraw/zinc/87/91/53/563879153.db2.gz SZXKSYWVJZGGTQ-UHFFFAOYSA-N 0 2 379.419 2.617 20 5 GFBDLN CNC(=O)Nc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1F ZINC000507603644 564234548 /nfs/dbraw/zinc/23/45/48/564234548.db2.gz JPNSFBOWAUAQNR-UHFFFAOYSA-N 0 2 388.402 2.656 20 5 GFBDLN COC(=O)c1c(C)csc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000508070398 564251961 /nfs/dbraw/zinc/25/19/61/564251961.db2.gz WEGLARNNDYDPPL-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1[C@H]1CCOC1 ZINC000451100708 564274926 /nfs/dbraw/zinc/27/49/26/564274926.db2.gz WVLJOQSTDZOMGD-NSHDSACASA-N 0 2 386.817 2.515 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2cccs2)o1 ZINC000481859535 564525837 /nfs/dbraw/zinc/52/58/37/564525837.db2.gz ORHNWTLEXNSDMW-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN CCc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000572158430 564583705 /nfs/dbraw/zinc/58/37/05/564583705.db2.gz PTABBTZKXRYAEZ-UHFFFAOYSA-N 0 2 382.345 2.828 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000461108147 564789925 /nfs/dbraw/zinc/78/99/25/564789925.db2.gz PCDYYSMOEAGHFT-UHFFFAOYSA-N 0 2 392.618 2.628 20 5 GFBDLN Cc1csc(-c2cccc(S(=O)(=O)Nc3ccncc3[N+](=O)[O-])c2)n1 ZINC000461108628 564790055 /nfs/dbraw/zinc/79/00/55/564790055.db2.gz BLFKIZYGBKTUJD-UHFFFAOYSA-N 0 2 376.419 2.644 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)c(F)c1 ZINC000555414185 564792185 /nfs/dbraw/zinc/79/21/85/564792185.db2.gz CTUHLAGZBRDRPZ-SECBINFHSA-N 0 2 385.320 2.772 20 5 GFBDLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000467764773 564971986 /nfs/dbraw/zinc/97/19/86/564971986.db2.gz BAMCCSOSBLEKHS-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000467774745 564972048 /nfs/dbraw/zinc/97/20/48/564972048.db2.gz XAETUQJTFXWQKV-UHFFFAOYSA-N 0 2 386.769 2.526 20 5 GFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000503660980 565025729 /nfs/dbraw/zinc/02/57/29/565025729.db2.gz WSNKXEJTZHFSAJ-UHFFFAOYSA-N 0 2 381.841 2.973 20 5 GFBDLN O=C([O-])c1cc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(O)c3)CC2)cc1Cl ZINC000740096786 600944194 /nfs/dbraw/zinc/94/41/94/600944194.db2.gz QOWADZRVFLSVTM-UHFFFAOYSA-N 0 2 391.811 2.974 20 5 GFBDLN Cc1noc(C(F)F)c1C(=O)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826337976 608160597 /nfs/dbraw/zinc/16/05/97/608160597.db2.gz HNFLWCNUKVGJMU-UHFFFAOYSA-N 0 2 399.701 2.915 20 5 GFBDLN Cc1nnc([C@@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)o1 ZINC000830860913 660683691 /nfs/dbraw/zinc/68/36/91/660683691.db2.gz XNSAKLWIFODUFB-RXMQYKEDSA-N 0 2 381.197 2.633 20 5 GFBDLN Cc1nc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])sc1C ZINC000040446792 654621405 /nfs/dbraw/zinc/62/14/05/654621405.db2.gz UVSSBNUMDCUGMA-UHFFFAOYSA-N 0 2 392.256 2.653 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2C)c([N+](=O)[O-])c1 ZINC000116712053 655252232 /nfs/dbraw/zinc/25/22/32/655252232.db2.gz QCYHCEZXGFPUSC-XMMPIXPASA-N 0 2 382.463 2.891 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc[nH]n3)c2)c(Cl)c1 ZINC000117739637 655267360 /nfs/dbraw/zinc/26/73/60/655267360.db2.gz VTDZUMAERMWGIF-UHFFFAOYSA-N 0 2 379.785 2.834 20 5 GFBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2cnc(C)s2)cc([N+](=O)[O-])c1C ZINC000443451029 655409651 /nfs/dbraw/zinc/40/96/51/655409651.db2.gz DRFBAENMIXIQEE-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000782259851 657121091 /nfs/dbraw/zinc/12/10/91/657121091.db2.gz LDSVFQDYHQABRL-UHFFFAOYSA-N 0 2 387.757 2.966 20 5 GFBDLN O=C(OCc1nccs1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801384273 659392063 /nfs/dbraw/zinc/39/20/63/659392063.db2.gz FGUZRKBPLNOVBN-UHFFFAOYSA-N 0 2 380.769 2.953 20 5 GFBDLN CNC(=O)c1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1Cl ZINC000055677174 551174258 /nfs/dbraw/zinc/17/42/58/551174258.db2.gz YZMJUKVAPMYCIX-UHFFFAOYSA-N 0 2 383.813 2.717 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)ccc1Cl ZINC000280192519 563326472 /nfs/dbraw/zinc/32/64/72/563326472.db2.gz DGJPAJLHSPSJHJ-VIFPVBQESA-N 0 2 386.817 2.666 20 5 GFBDLN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nnc(C2CC2)o1 ZINC000414455376 563740062 /nfs/dbraw/zinc/74/00/62/563740062.db2.gz PRFUZIDLWBLAKN-UHFFFAOYSA-N 0 2 378.288 2.675 20 5 GFBDLN CCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000442850144 563782374 /nfs/dbraw/zinc/78/23/74/563782374.db2.gz VFGJWGKJQQMZFJ-UHFFFAOYSA-N 0 2 393.244 2.572 20 5 GFBDLN COc1cc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000447785754 563886479 /nfs/dbraw/zinc/88/64/79/563886479.db2.gz HCYOPSQWLHNXQH-UHFFFAOYSA-N 0 2 388.785 2.772 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1C(F)(F)F ZINC000568062655 564403269 /nfs/dbraw/zinc/40/32/69/564403269.db2.gz LDTQFQJBTKBWHI-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000522024928 564642563 /nfs/dbraw/zinc/64/25/63/564642563.db2.gz SHFRJVUSRPFTTE-GFCCVEGCSA-N 0 2 390.826 2.502 20 5 GFBDLN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000486650345 564661424 /nfs/dbraw/zinc/66/14/24/564661424.db2.gz XZKNNSUPNJRJBT-IUCAKERBSA-N 0 2 387.849 2.919 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000461119060 564791102 /nfs/dbraw/zinc/79/11/02/564791102.db2.gz SGAYXYMFDOYJMV-UHFFFAOYSA-N 0 2 381.719 2.885 20 5 GFBDLN COC(=O)c1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1C1CC1 ZINC000581191374 564792538 /nfs/dbraw/zinc/79/25/38/564792538.db2.gz XZINVJWFXMATQI-UHFFFAOYSA-N 0 2 383.407 2.516 20 5 GFBDLN Cc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])nc(C)n1 ZINC000556357885 564820510 /nfs/dbraw/zinc/82/05/10/564820510.db2.gz HJCYIBUHJBRXQO-UHFFFAOYSA-N 0 2 391.236 2.787 20 5 GFBDLN Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)n1 ZINC000463428825 564881776 /nfs/dbraw/zinc/88/17/76/564881776.db2.gz HQWBHVXMNWBDOP-UHFFFAOYSA-N 0 2 384.723 2.801 20 5 GFBDLN Cc1nnc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000532879277 564948902 /nfs/dbraw/zinc/94/89/02/564948902.db2.gz MYTNTNXSJAZKCE-RXMQYKEDSA-N 0 2 381.197 2.633 20 5 GFBDLN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000584547467 565087087 /nfs/dbraw/zinc/08/70/87/565087087.db2.gz AUPOEMXNZXYFPV-LBPRGKRZSA-N 0 2 399.172 2.665 20 5 GFBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736218688 600292516 /nfs/dbraw/zinc/29/25/16/600292516.db2.gz QMAXEFMLXMTBNJ-CMPLNLGQSA-N 0 2 381.816 2.762 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nc1C ZINC000066250304 654898198 /nfs/dbraw/zinc/89/81/98/654898198.db2.gz HTQDUVVJZJIBPC-UHFFFAOYSA-N 0 2 385.423 2.564 20 5 GFBDLN Cc1nc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)sc1C ZINC000066737630 654913856 /nfs/dbraw/zinc/91/38/56/654913856.db2.gz ABGUISVHSPGVMG-UHFFFAOYSA-N 0 2 392.256 3.231 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000268716312 654984131 /nfs/dbraw/zinc/98/41/31/654984131.db2.gz MTYNDNAZZXFJAE-UHFFFAOYSA-N 0 2 396.372 2.969 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)ccc1Cl ZINC000121179855 655348324 /nfs/dbraw/zinc/34/83/24/655348324.db2.gz FZHWKFHWWPJMDM-UHFFFAOYSA-N 0 2 388.736 2.919 20 5 GFBDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768868550 656257959 /nfs/dbraw/zinc/25/79/59/656257959.db2.gz PDIXGBMTUZQWEA-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768882048 656258561 /nfs/dbraw/zinc/25/85/61/656258561.db2.gz LZSZDVZFMPHSKY-UHFFFAOYSA-N 0 2 380.407 2.657 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c1 ZINC000775470016 656640601 /nfs/dbraw/zinc/64/06/01/656640601.db2.gz CTASTEGGPXGDOY-UHFFFAOYSA-N 0 2 381.797 2.601 20 5 GFBDLN O=C(Nc1nc2ccc(F)cn2n1)c1sc(Br)cc1[N+](=O)[O-] ZINC000783930073 657275015 /nfs/dbraw/zinc/27/50/15/657275015.db2.gz WODZPPBYRARTSQ-UHFFFAOYSA-N 0 2 386.162 2.853 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(Br)nn1C ZINC000794057781 658483413 /nfs/dbraw/zinc/48/34/13/658483413.db2.gz NSSXELJZUUZUKD-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN O=C(Nc1cc2ccc(Br)cn2n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000509072745 532766127 /nfs/dbraw/zinc/76/61/27/532766127.db2.gz WMRSMYFETNXCKF-UHFFFAOYSA-N 0 2 377.154 2.963 20 5 GFBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000130668749 551367882 /nfs/dbraw/zinc/36/78/82/551367882.db2.gz ZOWJSJGNBMUKRZ-UHFFFAOYSA-N 0 2 380.760 2.819 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000153318046 551450454 /nfs/dbraw/zinc/45/04/54/551450454.db2.gz OFFISSTXLOUSEX-UHFFFAOYSA-N 0 2 379.785 2.834 20 5 GFBDLN O=C1CCc2ccc(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2N1 ZINC000157934269 551545175 /nfs/dbraw/zinc/54/51/75/551545175.db2.gz KOSBUKLOZTVVRG-UHFFFAOYSA-N 0 2 381.797 2.934 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cncc(Br)c1 ZINC000158235891 551549180 /nfs/dbraw/zinc/54/91/80/551549180.db2.gz USWSCYFVQXDXRP-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN COc1ncccc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000171263522 551651582 /nfs/dbraw/zinc/65/15/82/551651582.db2.gz LABAXAKGUBGRCQ-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3c(s2)COCC3)ccc1Cl ZINC000172315920 551676184 /nfs/dbraw/zinc/67/61/84/551676184.db2.gz DDWIWWQDDMOCPF-UHFFFAOYSA-N 0 2 375.815 2.578 20 5 GFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ncccc1Br ZINC000192533771 552566325 /nfs/dbraw/zinc/56/63/25/552566325.db2.gz PIEVTMIVCBGFLO-UHFFFAOYSA-N 0 2 389.169 2.790 20 5 GFBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cncc(Br)c2)c1 ZINC000229565075 553064534 /nfs/dbraw/zinc/06/45/34/553064534.db2.gz PJDHNBCHELLYFS-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN O=C(Nc1cnc2c(Br)cccn12)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436789030 563680276 /nfs/dbraw/zinc/68/02/76/563680276.db2.gz BKABYNDXRGGRJL-UHFFFAOYSA-N 0 2 377.154 2.963 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c[nH]nc1-c1nccs1 ZINC000446943913 563870867 /nfs/dbraw/zinc/87/08/67/563870867.db2.gz MBIJOCSRCJQXMR-UHFFFAOYSA-N 0 2 379.423 2.805 20 5 GFBDLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000446950684 563871171 /nfs/dbraw/zinc/87/11/71/563871171.db2.gz PYRLAMMRRSKRKQ-UHFFFAOYSA-N 0 2 384.370 2.955 20 5 GFBDLN O=C(NCc1cc2c(c(Br)c1)OCO2)c1cc(O)ccc1[N+](=O)[O-] ZINC000508388583 564262569 /nfs/dbraw/zinc/26/25/69/564262569.db2.gz TXWGFHWUTQCPGK-UHFFFAOYSA-N 0 2 395.165 2.722 20 5 GFBDLN CCn1cc[nH+]c1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451757740 564349032 /nfs/dbraw/zinc/34/90/32/564349032.db2.gz OSHXWSOMMXLAMB-UHFFFAOYSA-N 0 2 379.225 2.597 20 5 GFBDLN CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000480088919 564459695 /nfs/dbraw/zinc/45/96/95/564459695.db2.gz BDIYBYLPRCYRCC-UHFFFAOYSA-N 0 2 386.407 2.642 20 5 GFBDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000481897979 564527372 /nfs/dbraw/zinc/52/73/72/564527372.db2.gz FJFGJSVTKRCFFH-UHFFFAOYSA-N 0 2 384.797 3.000 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc1C ZINC000493108942 564805765 /nfs/dbraw/zinc/80/57/65/564805765.db2.gz XTMURKZPFCCFHU-UHFFFAOYSA-N 0 2 385.423 2.564 20 5 GFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(Cc2ccsc2)o1 ZINC000559959274 564943232 /nfs/dbraw/zinc/94/32/32/564943232.db2.gz UFOLTYTXKWKHPE-UHFFFAOYSA-N 0 2 380.407 2.739 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)nn1C ZINC000596044299 565508796 /nfs/dbraw/zinc/50/87/96/565508796.db2.gz AHXWQWMMYRZHDY-UHFFFAOYSA-N 0 2 378.332 2.710 20 5 GFBDLN O=C([O-])c1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000833106753 601037499 /nfs/dbraw/zinc/03/74/99/601037499.db2.gz VMFGDBPQOPBQQS-UHFFFAOYSA-N 0 2 399.403 2.775 20 5 GFBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823725239 604229713 /nfs/dbraw/zinc/22/97/13/604229713.db2.gz YUJLGBABEVZTQS-ZDUSSCGKSA-N 0 2 390.440 2.776 20 5 GFBDLN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823723319 604232938 /nfs/dbraw/zinc/23/29/38/604232938.db2.gz KJIMQGARGMBPSW-ZDUSSCGKSA-N 0 2 390.440 2.776 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000825264612 604258880 /nfs/dbraw/zinc/25/88/80/604258880.db2.gz LWXIXPJGJGPPLW-WDEREUQCSA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000825264612 604258881 /nfs/dbraw/zinc/25/88/81/604258881.db2.gz LWXIXPJGJGPPLW-WDEREUQCSA-N 0 2 384.820 2.555 20 5 GFBDLN Cc1noc([C@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1 ZINC000830326703 660648783 /nfs/dbraw/zinc/64/87/83/660648783.db2.gz BHKNUKVOHJSWPF-YFKPBYRVSA-N 0 2 381.197 2.633 20 5 GFBDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269507171 655011852 /nfs/dbraw/zinc/01/18/52/655011852.db2.gz ZMEWJRUAFZEIFZ-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1Br ZINC000171265179 655150316 /nfs/dbraw/zinc/15/03/16/655150316.db2.gz JWQTUOUWAXBFAP-UHFFFAOYSA-N 0 2 399.226 2.826 20 5 GFBDLN O=C(Nc1cc(O)c(Br)cc1Br)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839733474 661103392 /nfs/dbraw/zinc/10/33/92/661103392.db2.gz JPCNNJYDEPLOBV-SPGJFGJESA-N 0 2 379.992 2.521 20 5 GFBDLN O=C(Nc1cc(O)c(Br)cc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC000839733474 661103398 /nfs/dbraw/zinc/10/33/98/661103398.db2.gz JPCNNJYDEPLOBV-SPGJFGJESA-N 0 2 379.992 2.521 20 5 GFBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cn1 ZINC000782259013 657121128 /nfs/dbraw/zinc/12/11/28/657121128.db2.gz RVGCNBTZGQIYSA-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)c2ncccc12 ZINC000185629561 552367563 /nfs/dbraw/zinc/36/75/63/552367563.db2.gz JWQMYJLOCIZQAD-UHFFFAOYSA-N 0 2 387.349 2.733 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000295145581 563230747 /nfs/dbraw/zinc/23/07/47/563230747.db2.gz ARTCICRKDNSOKC-UHFFFAOYSA-N 0 2 378.332 2.710 20 5 GFBDLN CC(C)Cn1cnc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000430080395 563532779 /nfs/dbraw/zinc/53/27/79/563532779.db2.gz OMUTXZRBEBSUIG-UHFFFAOYSA-N 0 2 381.439 2.858 20 5 GFBDLN CN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000432631732 563589119 /nfs/dbraw/zinc/58/91/19/563589119.db2.gz IEEQNXYBTRGYAN-UHFFFAOYSA-N 0 2 381.797 2.568 20 5 GFBDLN CC(=O)N1CCSc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc21 ZINC000363078024 563714276 /nfs/dbraw/zinc/71/42/76/563714276.db2.gz GAAQVCQHEBLGTH-UHFFFAOYSA-N 0 2 399.475 2.916 20 5 GFBDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414371645 563730589 /nfs/dbraw/zinc/73/05/89/563730589.db2.gz NQVCVXLAIYAINU-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000443153899 563793783 /nfs/dbraw/zinc/79/37/83/563793783.db2.gz FHTRTVZELWQOJK-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN CC[C@H]1CCc2nc(NS(=O)(=O)c3cn(CC)nc3[N+](=O)[O-])sc2C1 ZINC000443414943 563804457 /nfs/dbraw/zinc/80/44/57/563804457.db2.gz DISFGIZFGQWWAR-VIFPVBQESA-N 0 2 385.471 2.583 20 5 GFBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000538754779 564200195 /nfs/dbraw/zinc/20/01/95/564200195.db2.gz HPJAGBQXIIOJFV-UHFFFAOYSA-N 0 2 385.785 2.621 20 5 GFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)c1 ZINC000564972651 564261282 /nfs/dbraw/zinc/26/12/82/564261282.db2.gz MDXMUSWLGNXSMQ-UHFFFAOYSA-N 0 2 382.467 2.838 20 5 GFBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000478710933 564412732 /nfs/dbraw/zinc/41/27/32/564412732.db2.gz NTBQJGAUTUDVGN-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN Cc1nc(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)ccc1[N+](=O)[O-] ZINC000569542971 564467750 /nfs/dbraw/zinc/46/77/50/564467750.db2.gz AFPSXGULUJFONP-UHFFFAOYSA-N 0 2 377.300 2.840 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(=O)n(C)c1 ZINC000481587888 564516769 /nfs/dbraw/zinc/51/67/69/564516769.db2.gz RPRWTNFYQMKQAD-UHFFFAOYSA-N 0 2 392.220 2.710 20 5 GFBDLN O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000554142738 564752261 /nfs/dbraw/zinc/75/22/61/564752261.db2.gz MFPQPCKGRZSETN-GFCCVEGCSA-N 0 2 399.172 2.665 20 5 GFBDLN COc1cncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000500466108 564954581 /nfs/dbraw/zinc/95/45/81/564954581.db2.gz BTVLJDJQABVKBR-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN CCc1nnc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000534243872 564983815 /nfs/dbraw/zinc/98/38/15/564983815.db2.gz JJCWWUGFNSFGET-ZCFIWIBFSA-N 0 2 394.240 2.622 20 5 GFBDLN CCc1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000534243872 564983817 /nfs/dbraw/zinc/98/38/17/564983817.db2.gz JJCWWUGFNSFGET-ZCFIWIBFSA-N 0 2 394.240 2.622 20 5 GFBDLN O=C(N[C@@H](CO)c1ccc(Br)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000590416101 565188204 /nfs/dbraw/zinc/18/82/04/565188204.db2.gz WCXSCILIQNZGNM-LBPRGKRZSA-N 0 2 381.182 2.526 20 5 GFBDLN CC(C)n1cnc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000593284760 565324252 /nfs/dbraw/zinc/32/42/52/565324252.db2.gz NNUQOMPRGVMNPB-UHFFFAOYSA-N 0 2 379.320 2.587 20 5 GFBDLN CC[NH+](CC)Cc1csc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000594582689 565401327 /nfs/dbraw/zinc/40/13/27/565401327.db2.gz VCNVMLMJJAIIGT-UHFFFAOYSA-N 0 2 384.483 2.835 20 5 GFBDLN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000740097693 599958239 /nfs/dbraw/zinc/95/82/39/599958239.db2.gz RSKRRAWXMWDQKR-LLVKDONJSA-N 0 2 387.352 2.535 20 5 GFBDLN O=C([O-])C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000739646634 600855783 /nfs/dbraw/zinc/85/57/83/600855783.db2.gz NWYITORQHTWBRE-CQSZACIVSA-N 0 2 392.371 2.999 20 5 GFBDLN O=C([O-])NC1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000740548127 602413012 /nfs/dbraw/zinc/41/30/12/602413012.db2.gz NAFOIQZZTZGJKQ-UHFFFAOYSA-N 0 2 384.352 2.867 20 5 GFBDLN C[C@@H](NC(=O)[O-])C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000739028084 602450310 /nfs/dbraw/zinc/45/03/10/602450310.db2.gz PUHYBYBHCKXTKE-SNVBAGLBSA-N 0 2 384.820 2.555 20 5 GFBDLN CCN(CC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827092969 603540012 /nfs/dbraw/zinc/54/00/12/603540012.db2.gz KHWRNCLYLNAASO-UHFFFAOYSA-N 0 2 378.429 2.554 20 5 GFBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833827336 605889086 /nfs/dbraw/zinc/88/90/86/605889086.db2.gz AUAXDIUCNQZTNX-VWYCJHECSA-N 0 2 384.820 2.553 20 5 GFBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833827336 605889088 /nfs/dbraw/zinc/88/90/88/605889088.db2.gz AUAXDIUCNQZTNX-VWYCJHECSA-N 0 2 384.820 2.553 20 5 GFBDLN CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000824207286 608165600 /nfs/dbraw/zinc/16/56/00/608165600.db2.gz SQGVWOYOFROKNW-INIZCTEOSA-N 0 2 398.379 2.523 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000783821669 608538979 /nfs/dbraw/zinc/53/89/79/608538979.db2.gz NHHGGRUFRSWHQJ-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN CO[C@H](CS(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000842585185 661344631 /nfs/dbraw/zinc/34/46/31/661344631.db2.gz UQEXOWPGDWRKPR-GFCCVEGCSA-N 0 2 381.248 2.770 20 5 GFBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000830815971 660681297 /nfs/dbraw/zinc/68/12/97/660681297.db2.gz IBJGONDRLAFZRO-CYBMUJFWSA-N 0 2 379.722 2.531 20 5 GFBDLN CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000047522077 654696273 /nfs/dbraw/zinc/69/62/73/654696273.db2.gz UKLSBIBJIWGUNW-UHFFFAOYSA-N 0 2 383.813 2.751 20 5 GFBDLN Cc1nccn1C[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000840950167 661216471 /nfs/dbraw/zinc/21/64/71/661216471.db2.gz FOJFDCXHAHWGRZ-VIFPVBQESA-N 0 2 390.824 2.507 20 5 GFBDLN Cc1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)cn1 ZINC000777623428 656830561 /nfs/dbraw/zinc/83/05/61/656830561.db2.gz GFQVIBCAJGGZCG-UHFFFAOYSA-N 0 2 387.215 2.565 20 5 GFBDLN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000843874786 661395272 /nfs/dbraw/zinc/39/52/72/661395272.db2.gz HPVCISFGHARSIV-UHFFFAOYSA-N 0 2 386.195 2.745 20 5 GFBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nccc(-c2sccc2Br)n1 ZINC000847114159 661576725 /nfs/dbraw/zinc/57/67/25/661576725.db2.gz HQHCEKIXOKAUHU-GMSGAONNSA-N 0 2 383.227 2.596 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)cc1[N+](=O)[O-] ZINC000126313944 551328103 /nfs/dbraw/zinc/32/81/03/551328103.db2.gz ZMYCEHOEQNYJPH-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)o1 ZINC000187040452 552404809 /nfs/dbraw/zinc/40/48/09/552404809.db2.gz JOBPNELHNKOBMX-UHFFFAOYSA-N 0 2 391.203 2.665 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000191798433 552538617 /nfs/dbraw/zinc/53/86/17/552538617.db2.gz RHBVDACSGRUMCF-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CCC(F)(F)F)n1 ZINC000424087907 563370075 /nfs/dbraw/zinc/37/00/75/563370075.db2.gz SHNWVKSJFXRQMA-UHFFFAOYSA-N 0 2 378.332 2.853 20 5 GFBDLN CCn1cc([N+](=O)[O-])c(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)n1 ZINC000427606197 563470747 /nfs/dbraw/zinc/47/07/47/563470747.db2.gz IIDHODHYTOJIII-UHFFFAOYSA-N 0 2 378.801 2.657 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OC2COC2)cc1 ZINC000436153519 563665842 /nfs/dbraw/zinc/66/58/42/563665842.db2.gz OULJGTWRMXGLCE-UHFFFAOYSA-N 0 2 384.797 2.827 20 5 GFBDLN O=C(Nc1cnc2c(Br)cccn12)c1ccc([N+](=O)[O-])cc1O ZINC000436746842 563678766 /nfs/dbraw/zinc/67/87/66/563678766.db2.gz IQFQHAUBCWZQQY-UHFFFAOYSA-N 0 2 377.154 2.963 20 5 GFBDLN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000290391119 563707533 /nfs/dbraw/zinc/70/75/33/563707533.db2.gz IBPTXTYHKNPBCY-LAEOZQHASA-N 0 2 379.360 2.574 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c(C)cc1[N+](=O)[O-] ZINC000414447191 563738108 /nfs/dbraw/zinc/73/81/08/563738108.db2.gz WKYQPWLUGULWLJ-UHFFFAOYSA-N 0 2 396.372 2.969 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c([N+](=O)[O-])n1 ZINC000479139631 564426697 /nfs/dbraw/zinc/42/66/97/564426697.db2.gz SPRUTYPCSGZGMD-UHFFFAOYSA-N 0 2 387.830 2.875 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3(C)C)c([N+](=O)[O-])n1 ZINC000515931440 564490445 /nfs/dbraw/zinc/49/04/45/564490445.db2.gz CZYKTJJFGQSYSB-UHFFFAOYSA-N 0 2 385.471 2.682 20 5 GFBDLN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc(Br)c3O)n2)n1C ZINC000519072139 564569249 /nfs/dbraw/zinc/56/92/49/564569249.db2.gz PQXYEAILRRCQJG-UHFFFAOYSA-N 0 2 380.158 2.822 20 5 GFBDLN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000486551178 564656621 /nfs/dbraw/zinc/65/66/21/564656621.db2.gz RLDCZIAHJROHFI-UHFFFAOYSA-N 0 2 382.398 2.997 20 5 GFBDLN Cc1noc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000462252064 564829513 /nfs/dbraw/zinc/82/95/13/564829513.db2.gz JAZXNBASUXNYMQ-YFKPBYRVSA-N 0 2 381.197 2.633 20 5 GFBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1C ZINC000467326055 564961113 /nfs/dbraw/zinc/96/11/13/564961113.db2.gz LVZOGBWDEOPLII-UHFFFAOYSA-N 0 2 387.801 2.564 20 5 GFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SC)cc1 ZINC000468529132 564985926 /nfs/dbraw/zinc/98/59/26/564985926.db2.gz MRSVFGPKORTSKW-UHFFFAOYSA-N 0 2 382.419 2.904 20 5 GFBDLN O=C(Nc1cnc2c(Br)cccn12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000588868594 565141846 /nfs/dbraw/zinc/14/18/46/565141846.db2.gz SHRAYMCFJIUESO-UHFFFAOYSA-N 0 2 377.154 2.963 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000619468255 565342645 /nfs/dbraw/zinc/34/26/45/565342645.db2.gz MHRCVNNXMKMICL-UHFFFAOYSA-N 0 2 376.749 2.902 20 5 GFBDLN CC1(c2nc(=NC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])s[nH]2)CC1 ZINC000600227173 565718673 /nfs/dbraw/zinc/71/86/73/565718673.db2.gz KXAYGQPDINLEEY-UHFFFAOYSA-N 0 2 382.829 2.981 20 5 GFBDLN O=C([O-])c1cccc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000833104703 601037908 /nfs/dbraw/zinc/03/79/08/601037908.db2.gz DGMLVENYNFJVFG-UHFFFAOYSA-N 0 2 399.403 2.775 20 5 GFBDLN O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262024651 601900631 /nfs/dbraw/zinc/90/06/31/601900631.db2.gz ABMNIOQBFUDFHH-CABCVRRESA-N 0 2 386.408 2.934 20 5 GFBDLN CC[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(F)F ZINC000831729476 660723232 /nfs/dbraw/zinc/72/32/32/660723232.db2.gz VPTBBZFBFQGLFS-SSDOTTSWSA-N 0 2 391.165 2.818 20 5 GFBDLN CC(C)n1cc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000121318538 655349150 /nfs/dbraw/zinc/34/91/50/655349150.db2.gz GISHRKGFCUIZRY-UHFFFAOYSA-N 0 2 389.231 2.936 20 5 GFBDLN Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n1 ZINC000193711543 655411822 /nfs/dbraw/zinc/41/18/22/655411822.db2.gz HTZIGGSNQWZREN-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN COC(=O)Nc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000768889709 656259133 /nfs/dbraw/zinc/25/91/33/656259133.db2.gz IQWPCUCPXQPUFG-UHFFFAOYSA-N 0 2 375.359 2.775 20 5 GFBDLN COc1ccc(-c2nnc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)o2)cc1 ZINC000775095805 656598374 /nfs/dbraw/zinc/59/83/74/656598374.db2.gz YUVLUDUOGRYKTI-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN CCN(CC)Cc1csc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000848696076 661675493 /nfs/dbraw/zinc/67/54/93/661675493.db2.gz JJQKEFJHEFADLN-UHFFFAOYSA-N 0 2 376.485 2.755 20 5 GFBDLN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H]2CCN2C2CCCC2)cc1Cl ZINC000859346951 662155102 /nfs/dbraw/zinc/15/51/02/662155102.db2.gz HQRZJICAWHEKQH-NSHDSACASA-N 0 2 391.852 2.683 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)c1F ZINC000121603298 677399832 /nfs/dbraw/zinc/39/98/32/677399832.db2.gz WOGZDLKOCRYTMH-DEOSSOPVSA-N 0 2 386.426 2.722 20 5 GFBDLN CN(C)c1ncc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000124919579 551319054 /nfs/dbraw/zinc/31/90/54/551319054.db2.gz WDBBVAPYILRBSB-UHFFFAOYSA-N 0 2 381.186 2.776 20 5 GFBDLN CC(C)c1nnc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1 ZINC000153618673 551457041 /nfs/dbraw/zinc/45/70/41/551457041.db2.gz VOVOJOCKANSIKC-UHFFFAOYSA-N 0 2 391.203 2.665 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)c(F)c1 ZINC000285171520 563506966 /nfs/dbraw/zinc/50/69/66/563506966.db2.gz UABDJSJZNCADSU-UHFFFAOYSA-N 0 2 387.414 2.885 20 5 GFBDLN Cc1nc([C@@](C)(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C2CC2)no1 ZINC000432299162 563580091 /nfs/dbraw/zinc/58/00/91/563580091.db2.gz OXSUHQBYFHIWPB-AWEZNQCLSA-N 0 2 386.817 2.543 20 5 GFBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000410408694 563589978 /nfs/dbraw/zinc/58/99/78/563589978.db2.gz SKAUUZPWVACGAK-UHFFFAOYSA-N 0 2 386.407 2.642 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2cc(F)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000438726512 563709383 /nfs/dbraw/zinc/70/93/83/563709383.db2.gz SDYRZNCBWFTELO-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c(C)cc1[N+](=O)[O-] ZINC000414378464 563731773 /nfs/dbraw/zinc/73/17/73/563731773.db2.gz ZEIPOFQQODJLLK-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN CCc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)sc1C(=O)OC ZINC000441355608 563758407 /nfs/dbraw/zinc/75/84/07/563758407.db2.gz KQOBSQIFFUKROC-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN COC(=O)c1c(F)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000509376236 564294937 /nfs/dbraw/zinc/29/49/37/564294937.db2.gz OKDBCYSGLFBTSW-UHFFFAOYSA-N 0 2 392.361 2.830 20 5 GFBDLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475797648 564320716 /nfs/dbraw/zinc/32/07/16/564320716.db2.gz NZHMOOSBXACYOC-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000522024929 564642643 /nfs/dbraw/zinc/64/26/43/564642643.db2.gz SHFRJVUSRPFTTE-LBPRGKRZSA-N 0 2 390.826 2.502 20 5 GFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N(CCO)Cc1cccc(Br)c1 ZINC000552520523 564693843 /nfs/dbraw/zinc/69/38/43/564693843.db2.gz UYDRVRUSLAHXHT-UHFFFAOYSA-N 0 2 395.209 2.698 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000491543707 564792771 /nfs/dbraw/zinc/79/27/71/564792771.db2.gz HLINFDBLAQHNJR-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN CC(=O)NCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000497961226 564882213 /nfs/dbraw/zinc/88/22/13/564882213.db2.gz UNKKRHYJPXSMOK-UHFFFAOYSA-N 0 2 383.813 2.685 20 5 GFBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cnn(C(F)F)c2)c1 ZINC000463791987 564890896 /nfs/dbraw/zinc/89/08/96/564890896.db2.gz UFXWOWGVXSTXKM-UHFFFAOYSA-N 0 2 397.157 2.750 20 5 GFBDLN CCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000464413006 564906586 /nfs/dbraw/zinc/90/65/86/564906586.db2.gz XJBMWGXSEAODDC-UHFFFAOYSA-N 0 2 379.423 2.748 20 5 GFBDLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000532398885 564936763 /nfs/dbraw/zinc/93/67/63/564936763.db2.gz DDGHWMKJCFSMET-UHFFFAOYSA-N 0 2 389.169 2.790 20 5 GFBDLN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000560007133 564945031 /nfs/dbraw/zinc/94/50/31/564945031.db2.gz KVSPNXODBLUPKO-UHFFFAOYSA-N 0 2 389.792 2.592 20 5 GFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1 ZINC000468348745 564982693 /nfs/dbraw/zinc/98/26/93/564982693.db2.gz LYLKADKHUJQMMJ-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN CC[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000468835907 564995113 /nfs/dbraw/zinc/99/51/13/564995113.db2.gz FEQUMFXNZFQCCV-VIFPVBQESA-N 0 2 391.165 2.977 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000468919102 564999354 /nfs/dbraw/zinc/99/93/54/564999354.db2.gz JYVPDFNFFKLGLL-UHFFFAOYSA-N 0 2 376.316 2.821 20 5 GFBDLN CCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000611498310 566133327 /nfs/dbraw/zinc/13/33/27/566133327.db2.gz XWNUIXMVWMQIIP-UHFFFAOYSA-N 0 2 376.188 2.709 20 5 GFBDLN C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237537236 601393618 /nfs/dbraw/zinc/39/36/18/601393618.db2.gz MEISMMYINSIFBV-SCLBCKFNSA-N 0 2 394.387 2.972 20 5 GFBDLN COc1cc(C[N@@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739860773 601973135 /nfs/dbraw/zinc/97/31/35/601973135.db2.gz SJXOXFQHYPDFOS-LLVKDONJSA-N 0 2 389.355 2.779 20 5 GFBDLN COc1cc(C[N@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739860773 601973137 /nfs/dbraw/zinc/97/31/37/601973137.db2.gz SJXOXFQHYPDFOS-LLVKDONJSA-N 0 2 389.355 2.779 20 5 GFBDLN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823723317 604232871 /nfs/dbraw/zinc/23/28/71/604232871.db2.gz KJIMQGARGMBPSW-CYBMUJFWSA-N 0 2 390.440 2.776 20 5 GFBDLN CC(C)(C)n1cc(C[NH+]2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cn1 ZINC000833452844 605182276 /nfs/dbraw/zinc/18/22/76/605182276.db2.gz JOHAODOHFOOBTJ-UHFFFAOYSA-N 0 2 387.440 2.567 20 5 GFBDLN Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000822239982 607154228 /nfs/dbraw/zinc/15/42/28/607154228.db2.gz NEYMVYXIXQXKTR-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN CC(C)Cc1nnc(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1 ZINC000829848297 660617142 /nfs/dbraw/zinc/61/71/42/660617142.db2.gz XLUFHYXXXAPQTH-UHFFFAOYSA-N 0 2 378.769 2.770 20 5 GFBDLN Cc1cnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000066737538 654913500 /nfs/dbraw/zinc/91/35/00/654913500.db2.gz OVQSUBNUYOPNSO-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000268733005 654984566 /nfs/dbraw/zinc/98/45/66/654984566.db2.gz UMMSJENJWKROEC-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000274231571 655180525 /nfs/dbraw/zinc/18/05/25/655180525.db2.gz ULJIYIPJEYZNTE-UHFFFAOYSA-N 0 2 391.203 2.665 20 5 GFBDLN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000120290387 655334113 /nfs/dbraw/zinc/33/41/13/655334113.db2.gz QTWMBXNSJHEXKU-UHFFFAOYSA-N 0 2 379.423 2.655 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1C ZINC000759164290 655949666 /nfs/dbraw/zinc/94/96/66/655949666.db2.gz QKKZDBUYCNRXON-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN COC(=O)c1nscc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000764534724 656112988 /nfs/dbraw/zinc/11/29/88/656112988.db2.gz UYEDMTBUWDRBIE-UHFFFAOYSA-N 0 2 391.814 2.601 20 5 GFBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cn1C ZINC000768866860 656257724 /nfs/dbraw/zinc/25/77/24/656257724.db2.gz DQVGWZDEPXRROA-UHFFFAOYSA-N 0 2 387.801 2.564 20 5 GFBDLN CN(C)C(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000768883925 656258595 /nfs/dbraw/zinc/25/85/95/656258595.db2.gz ZXMXUEMSWMCWKW-UHFFFAOYSA-N 0 2 389.842 2.812 20 5 GFBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000777669701 656832069 /nfs/dbraw/zinc/83/20/69/656832069.db2.gz IBSXAKXLFDTZDZ-UHFFFAOYSA-N 0 2 386.773 2.622 20 5 GFBDLN C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843807324 661392971 /nfs/dbraw/zinc/39/29/71/661392971.db2.gz CABRNNGQVHMVNM-UHFFFAOYSA-N 0 2 377.775 2.755 20 5 GFBDLN C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843807324 661392974 /nfs/dbraw/zinc/39/29/74/661392974.db2.gz CABRNNGQVHMVNM-UHFFFAOYSA-N 0 2 377.775 2.755 20 5 GFBDLN CCn1ncc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000849337289 661707702 /nfs/dbraw/zinc/70/77/02/661707702.db2.gz UGMGSJUSCQCTND-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN CNC(=O)c1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1Cl ZINC000055648417 551173703 /nfs/dbraw/zinc/17/37/03/551173703.db2.gz WTIWBFYMQQGCNA-UHFFFAOYSA-N 0 2 383.813 2.717 20 5 GFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128778096 551352441 /nfs/dbraw/zinc/35/24/41/551352441.db2.gz ZFDBMFAVHYKDSU-UHFFFAOYSA-N 0 2 378.797 2.818 20 5 GFBDLN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000174041213 552097389 /nfs/dbraw/zinc/09/73/89/552097389.db2.gz JKISJERFWMVZIK-MRVPVSSYSA-N 0 2 388.833 2.968 20 5 GFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(n2cc(Br)cn2)CC1 ZINC000375765086 563417769 /nfs/dbraw/zinc/41/77/69/563417769.db2.gz UKWGPWUOCWXWQX-UHFFFAOYSA-N 0 2 395.213 2.737 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cncc(Br)c1 ZINC000314853661 563440268 /nfs/dbraw/zinc/44/02/68/563440268.db2.gz USVLIHRZTLGTOG-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000432960529 563598293 /nfs/dbraw/zinc/59/82/93/563598293.db2.gz NZRNQIIOBKYCEJ-LBPRGKRZSA-N 0 2 386.817 2.634 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000416418503 563825822 /nfs/dbraw/zinc/82/58/22/563825822.db2.gz QXYHINYVWONJBJ-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2nc3c(s2)CC(C)(C)CC3)c([N+](=O)[O-])n1 ZINC000416422735 563827390 /nfs/dbraw/zinc/82/73/90/563827390.db2.gz ODSADAZYJQDQPC-UHFFFAOYSA-N 0 2 385.471 2.583 20 5 GFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(Cc2ccsc2)o1 ZINC000446959945 563871007 /nfs/dbraw/zinc/87/10/07/563871007.db2.gz WKRNGPSOHCGAKW-UHFFFAOYSA-N 0 2 380.407 2.739 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2nnc(Cc3ccsc3)o2)ccc1[N+](=O)[O-] ZINC000446961859 563871033 /nfs/dbraw/zinc/87/10/33/563871033.db2.gz DPFBSBLHVPIRKD-UHFFFAOYSA-N 0 2 380.407 2.739 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)n1 ZINC000567352479 564367898 /nfs/dbraw/zinc/36/78/98/564367898.db2.gz AOSXLNCAIVCUON-UHFFFAOYSA-N 0 2 385.423 2.591 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2noc(-c3cccs3)n2)c1 ZINC000548146587 564532796 /nfs/dbraw/zinc/53/27/96/564532796.db2.gz BNXVXYASGAAYKU-UHFFFAOYSA-N 0 2 380.407 2.546 20 5 GFBDLN CC(C)n1cc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000551117339 564638308 /nfs/dbraw/zinc/63/83/08/564638308.db2.gz ZLAOVNWMZZCXLL-UHFFFAOYSA-N 0 2 389.231 2.936 20 5 GFBDLN CC(=O)Nc1cccnc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000488453878 564712293 /nfs/dbraw/zinc/71/22/93/564712293.db2.gz CNGMOUMIIDUMRH-UHFFFAOYSA-N 0 2 384.801 2.711 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)o2)s1 ZINC000583302114 564885557 /nfs/dbraw/zinc/88/55/57/564885557.db2.gz RMROLVYEQJXLGQ-UHFFFAOYSA-N 0 2 384.370 2.570 20 5 GFBDLN CN(CC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccccc1[N+](=O)[O-] ZINC000463753912 564888780 /nfs/dbraw/zinc/88/87/80/564888780.db2.gz YRXCQQWEJQCIRI-UHFFFAOYSA-N 0 2 375.435 2.672 20 5 GFBDLN CCc1ccc2nc(NS(=O)(=O)c3cn(CC)nc3[N+](=O)[O-])sc2c1 ZINC000536460056 565037794 /nfs/dbraw/zinc/03/77/94/565037794.db2.gz QYHKZARYIJABJQ-UHFFFAOYSA-N 0 2 381.439 2.784 20 5 GFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)c1[N+](=O)[O-] ZINC000584323976 565076113 /nfs/dbraw/zinc/07/61/13/565076113.db2.gz RFRKDWHSSBUFAC-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN CCN(C)C(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000588853118 565141765 /nfs/dbraw/zinc/14/17/65/565141765.db2.gz HFZFCDDUXMKJMP-UHFFFAOYSA-N 0 2 383.451 2.857 20 5 GFBDLN CO[C@@H](CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000592352713 565271503 /nfs/dbraw/zinc/27/15/03/565271503.db2.gz FNVLFWKRPFWXGD-LBPRGKRZSA-N 0 2 381.248 2.770 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000594486774 565395930 /nfs/dbraw/zinc/39/59/30/565395930.db2.gz IGPULGSDUVSXKE-JOYOIKCWSA-N 0 2 386.323 2.512 20 5 GFBDLN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000611278355 566124521 /nfs/dbraw/zinc/12/45/21/566124521.db2.gz DBNYJCPNJDTENF-SNVBAGLBSA-N 0 2 383.451 2.963 20 5 GFBDLN O=C([O-])NC[C@H]1CCCC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000832521195 603465389 /nfs/dbraw/zinc/46/53/89/603465389.db2.gz LNLXBQUBSXCFSC-CJNGLKHVSA-N 0 2 388.380 2.764 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000833816819 605675600 /nfs/dbraw/zinc/67/56/00/605675600.db2.gz FIPMFTTZPVEKBK-SJKOYZFVSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000833816819 605675603 /nfs/dbraw/zinc/67/56/03/605675603.db2.gz FIPMFTTZPVEKBK-SJKOYZFVSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000833817221 605678156 /nfs/dbraw/zinc/67/81/56/605678156.db2.gz HAQGOUHKLUSFAR-PXAZEXFGSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000833817221 605678162 /nfs/dbraw/zinc/67/81/62/605678162.db2.gz HAQGOUHKLUSFAR-PXAZEXFGSA-N 0 2 375.381 2.712 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C(C)C)s2)c([N+](=O)[O-])c1 ZINC000266374576 654875569 /nfs/dbraw/zinc/87/55/69/654875569.db2.gz WKKIFONIZOWWBF-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000268696365 654983043 /nfs/dbraw/zinc/98/30/43/654983043.db2.gz CFQOOEZEIJAJAG-UHFFFAOYSA-N 0 2 382.345 2.660 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cs1 ZINC000768867904 656258015 /nfs/dbraw/zinc/25/80/15/656258015.db2.gz YEYHTXCHEHROJO-UHFFFAOYSA-N 0 2 380.363 2.914 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)ccc1Cl ZINC000811833078 660016504 /nfs/dbraw/zinc/01/65/04/660016504.db2.gz LFQUBYJPKDGJEJ-UHFFFAOYSA-N 0 2 388.192 2.745 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C3CC3)o2)c(C(F)(F)F)c1 ZINC000194729472 553028010 /nfs/dbraw/zinc/02/80/10/553028010.db2.gz MXUYEPVYMIFKDQ-UHFFFAOYSA-N 0 2 378.288 2.675 20 5 GFBDLN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000330520549 563508962 /nfs/dbraw/zinc/50/89/62/563508962.db2.gz NSYUSROFHDHBDQ-GFCCVEGCSA-N 0 2 379.232 2.668 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)s1 ZINC000430070969 563532162 /nfs/dbraw/zinc/53/21/62/563532162.db2.gz LUHREKRJUJFERA-UHFFFAOYSA-N 0 2 399.431 2.853 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)nc1C ZINC000414440448 563737801 /nfs/dbraw/zinc/73/78/01/563737801.db2.gz MHWHFXLXMLELIG-UHFFFAOYSA-N 0 2 385.423 2.564 20 5 GFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(n2cc(Br)cn2)CC1 ZINC000369144124 563888183 /nfs/dbraw/zinc/88/81/83/563888183.db2.gz NYVQINPBXOJYLI-UHFFFAOYSA-N 0 2 395.213 2.737 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)c1 ZINC000555134101 564784906 /nfs/dbraw/zinc/78/49/06/564784906.db2.gz CVNWZYUCIUOCTO-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN Cn1ncc(Cl)c1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556349277 564820045 /nfs/dbraw/zinc/82/00/45/564820045.db2.gz GXWNFBLHPUNPLH-UHFFFAOYSA-N 0 2 395.622 2.545 20 5 GFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1O ZINC000468371243 564982731 /nfs/dbraw/zinc/98/27/31/564982731.db2.gz FCNOBRCKYGDTRI-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c(F)cc1[N+](=O)[O-] ZINC000590598343 565194148 /nfs/dbraw/zinc/19/41/48/565194148.db2.gz ZKFIESWOFXXYJI-UHFFFAOYSA-N 0 2 387.776 2.595 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000600654099 565740463 /nfs/dbraw/zinc/74/04/63/565740463.db2.gz SLUBXZSBEGLVOP-UHFFFAOYSA-N 0 2 378.332 2.710 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000600667735 565744805 /nfs/dbraw/zinc/74/48/05/565744805.db2.gz HGEDVPJJPYYCOL-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000611194088 566120501 /nfs/dbraw/zinc/12/05/01/566120501.db2.gz DVJSGOCXKQYENI-SNVBAGLBSA-N 0 2 383.451 2.963 20 5 GFBDLN O=C([O-])[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000192962939 600221905 /nfs/dbraw/zinc/22/19/05/600221905.db2.gz OOLGBTDIXCZKNY-AWEZNQCLSA-N 0 2 378.344 2.609 20 5 GFBDLN O=C([O-])NCc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000740680281 602516304 /nfs/dbraw/zinc/51/63/04/602516304.db2.gz KNCSPBMMLBZXCQ-UHFFFAOYSA-N 0 2 381.348 2.800 20 5 GFBDLN Cc1cc(N2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000581013372 605168740 /nfs/dbraw/zinc/16/87/40/605168740.db2.gz FBFRNDMOYXIPLS-UHFFFAOYSA-N 0 2 385.424 2.841 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1C1CC1 ZINC000270348335 655041590 /nfs/dbraw/zinc/04/15/90/655041590.db2.gz TXXJXMMMJNIFMS-UHFFFAOYSA-N 0 2 383.407 2.516 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCOC(F)(F)F ZINC000474385887 655415832 /nfs/dbraw/zinc/41/58/32/655415832.db2.gz VLOORYSNWKSOQE-UHFFFAOYSA-N 0 2 383.131 2.716 20 5 GFBDLN COc1ccccc1-c1nnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000775119608 656601235 /nfs/dbraw/zinc/60/12/35/656601235.db2.gz URHFAXTXILUDIO-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cccc(NC(N)=O)c2)c1 ZINC000775470032 656640855 /nfs/dbraw/zinc/64/08/55/656640855.db2.gz DPNZHBPHPFCDQK-UHFFFAOYSA-N 0 2 384.801 2.848 20 5 GFBDLN COC(=O)c1nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)sc1C(C)C ZINC000808585330 659899421 /nfs/dbraw/zinc/89/94/21/659899421.db2.gz FNVUFOFXZHPPQU-UHFFFAOYSA-N 0 2 391.452 2.824 20 5 GFBDLN COCCCn1cc(C)c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000294947232 563222846 /nfs/dbraw/zinc/22/28/46/563222846.db2.gz ALYBFLUQLKXUGM-UHFFFAOYSA-N 0 2 388.833 2.590 20 5 GFBDLN O=c1[nH]nc([C@@H]2CCCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)[nH]1 ZINC000425457718 563423917 /nfs/dbraw/zinc/42/39/17/563423917.db2.gz LCKFQUUDZZYNFA-SNVBAGLBSA-N 0 2 382.218 2.561 20 5 GFBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1SC ZINC000328445607 563461090 /nfs/dbraw/zinc/46/10/90/563461090.db2.gz YTKNTAJPGOONOP-UHFFFAOYSA-N 0 2 382.419 2.904 20 5 GFBDLN CN(C)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000414452625 563738929 /nfs/dbraw/zinc/73/89/29/563738929.db2.gz AZCNTCKHYWBGJT-UHFFFAOYSA-N 0 2 376.847 2.567 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)ccc1[N+](=O)[O-] ZINC000471500499 564195820 /nfs/dbraw/zinc/19/58/20/564195820.db2.gz MMBBJJDTULECDZ-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1C(C)C ZINC000451092851 564272835 /nfs/dbraw/zinc/27/28/35/564272835.db2.gz CYGVOECCKOOCAR-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN Cc1nn2cc(S(=O)(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cnc2c1Cl ZINC000475831527 564321869 /nfs/dbraw/zinc/32/18/69/564321869.db2.gz VSMXEAQCDHFTEL-UHFFFAOYSA-N 0 2 385.764 2.539 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)cc1[N+](=O)[O-] ZINC000476913759 564358725 /nfs/dbraw/zinc/35/87/25/564358725.db2.gz LLOXFVXDTJVMSQ-UHFFFAOYSA-N 0 2 376.419 2.644 20 5 GFBDLN Cc1nc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)oc1C ZINC000481990315 564531771 /nfs/dbraw/zinc/53/17/71/564531771.db2.gz PSWOADJLNNYXTC-UHFFFAOYSA-N 0 2 376.188 2.763 20 5 GFBDLN O=C1CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2N1 ZINC000482134018 564534775 /nfs/dbraw/zinc/53/47/75/564534775.db2.gz VSBUMWZNBPKGEO-UHFFFAOYSA-N 0 2 381.797 2.934 20 5 GFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(CCO)Cc1cccc(Br)c1 ZINC000489090592 564728679 /nfs/dbraw/zinc/72/86/79/564728679.db2.gz WFKIKRZSQPSMSW-UHFFFAOYSA-N 0 2 395.209 2.698 20 5 GFBDLN CC(=O)NCc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000497957671 564882206 /nfs/dbraw/zinc/88/22/06/564882206.db2.gz YQJJQHIBORWINZ-UHFFFAOYSA-N 0 2 383.813 2.685 20 5 GFBDLN COC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000469038844 565003231 /nfs/dbraw/zinc/00/32/31/565003231.db2.gz TWRQVJFFGYRVQD-GFCCVEGCSA-N 0 2 390.826 2.502 20 5 GFBDLN CO[C@@H](CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000592353122 565270990 /nfs/dbraw/zinc/27/09/90/565270990.db2.gz VMYHGIXFKBARGK-LBPRGKRZSA-N 0 2 379.232 2.524 20 5 GFBDLN CCn1ncc(C)c1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594729800 565412755 /nfs/dbraw/zinc/41/27/55/565412755.db2.gz CXGYAUZSLLEUQJ-UHFFFAOYSA-N 0 2 378.332 2.939 20 5 GFBDLN CCn1nc(C)cc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600669742 565744706 /nfs/dbraw/zinc/74/47/06/565744706.db2.gz BJAVWLZDVAXWID-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603971949 565921165 /nfs/dbraw/zinc/92/11/65/565921165.db2.gz XTQYLTHJHRIZPL-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738627621 602538259 /nfs/dbraw/zinc/53/82/59/602538259.db2.gz ABMBFHLRHGVREB-WDEREUQCSA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738627621 602538260 /nfs/dbraw/zinc/53/82/60/602538260.db2.gz ABMBFHLRHGVREB-WDEREUQCSA-N 0 2 384.820 2.507 20 5 GFBDLN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1Cl ZINC000822258783 607154204 /nfs/dbraw/zinc/15/42/04/607154204.db2.gz CLYNNQUSNHTWFG-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000826405955 608166603 /nfs/dbraw/zinc/16/66/03/608166603.db2.gz AROMNYPPKGWEMA-UHFFFAOYSA-N 0 2 398.379 2.668 20 5 GFBDLN CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000055578729 654778060 /nfs/dbraw/zinc/77/80/60/654778060.db2.gz QIPPCADPKXSLDF-UHFFFAOYSA-N 0 2 383.813 2.751 20 5 GFBDLN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000839684728 661099670 /nfs/dbraw/zinc/09/96/70/661099670.db2.gz ADYSCPNKROQYSX-CHWSQXEVSA-N 0 2 379.214 2.855 20 5 GFBDLN COC(=O)c1ccc(O)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000765990180 656157379 /nfs/dbraw/zinc/15/73/79/656157379.db2.gz RKELXBKEDDIGRS-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN COC(=O)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000776282076 656727025 /nfs/dbraw/zinc/72/70/25/656727025.db2.gz QPLNYEHGRXPGPB-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN COc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc(-n2cccn2)c1 ZINC000794596050 658574109 /nfs/dbraw/zinc/57/41/09/658574109.db2.gz CPIJZUHYNBUMQI-UHFFFAOYSA-N 0 2 380.407 2.651 20 5 GFBDLN Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1[N+](=O)[O-] ZINC000798247837 659089361 /nfs/dbraw/zinc/08/93/61/659089361.db2.gz XYCNZGSGQPPPJJ-UHFFFAOYSA-N 0 2 390.736 2.679 20 5 GFBDLN Nc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1[N+](=O)[O-] ZINC000799121063 659165697 /nfs/dbraw/zinc/16/56/97/659165697.db2.gz YZJIGSAUQRRVOZ-UHFFFAOYSA-N 0 2 390.190 2.879 20 5 GFBDLN C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000808079284 659875675 /nfs/dbraw/zinc/87/56/75/659875675.db2.gz YFPDKXOYTGTWGX-LAEOZQHASA-N 0 2 380.754 2.925 20 5 GFBDLN COC1(CS(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000872357798 662761970 /nfs/dbraw/zinc/76/19/70/662761970.db2.gz KQGVVMKQFYHDEJ-UHFFFAOYSA-N 0 2 379.232 2.668 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000917735894 664489669 /nfs/dbraw/zinc/48/96/69/664489669.db2.gz IGSVIXKWRKPAFS-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1ccc2nn[nH]c2c1 ZINC000153525685 551454862 /nfs/dbraw/zinc/45/48/62/551454862.db2.gz SLROLCUEFJGTIK-UHFFFAOYSA-N 0 2 376.170 2.810 20 5 GFBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000477427708 564376655 /nfs/dbraw/zinc/37/66/55/564376655.db2.gz VDSOUMLYOWLTEX-UHFFFAOYSA-N 0 2 384.797 2.765 20 5 GFBDLN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000514984163 564464672 /nfs/dbraw/zinc/46/46/72/564464672.db2.gz OEJGIEPPGPWOEU-ZCFIWIBFSA-N 0 2 382.345 2.505 20 5 GFBDLN Cc1nn2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(C)c3)cnc2c1Cl ZINC000537267602 565056246 /nfs/dbraw/zinc/05/62/46/565056246.db2.gz KNYOJTHBMKPXLS-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c(F)cc1[N+](=O)[O-] ZINC000590598072 565194442 /nfs/dbraw/zinc/19/44/42/565194442.db2.gz JHUAHDOOQLQHRF-UHFFFAOYSA-N 0 2 382.295 2.602 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000619467818 565342194 /nfs/dbraw/zinc/34/21/94/565342194.db2.gz HGJOBLPKGRQOTP-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000609796422 566052017 /nfs/dbraw/zinc/05/20/17/566052017.db2.gz UVIUMVPRRGWUHR-UHFFFAOYSA-N 0 2 379.785 2.834 20 5 GFBDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610863931 566103362 /nfs/dbraw/zinc/10/33/62/566103362.db2.gz GZIOIKJFHBJXDP-UHFFFAOYSA-N 0 2 375.815 2.518 20 5 GFBDLN COCCOCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000613452983 566197656 /nfs/dbraw/zinc/19/76/56/566197656.db2.gz BKJHPMVEVWSMCP-UHFFFAOYSA-N 0 2 386.451 2.929 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000830403655 602198251 /nfs/dbraw/zinc/19/82/51/602198251.db2.gz SAYCWFZMLAXWFE-FZMZJTMJSA-N 0 2 391.453 2.619 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000830403655 602198253 /nfs/dbraw/zinc/19/82/53/602198253.db2.gz SAYCWFZMLAXWFE-FZMZJTMJSA-N 0 2 391.453 2.619 20 5 GFBDLN CCN(CC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1)C(=O)[O-] ZINC000827099185 603599958 /nfs/dbraw/zinc/59/99/58/603599958.db2.gz MTAKZCJSZOPIDM-UHFFFAOYSA-N 0 2 388.428 2.523 20 5 GFBDLN CN(C1=NC(=O)C(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1)C1CC1 ZINC000273344450 655139699 /nfs/dbraw/zinc/13/96/99/655139699.db2.gz OGSOHZQPIPSMIJ-LBPRGKRZSA-N 0 2 382.829 2.669 20 5 GFBDLN COC(=O)c1cncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000747579883 655780203 /nfs/dbraw/zinc/78/02/03/655780203.db2.gz LDGKPBYGDDYDQM-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1C ZINC000753080594 655850061 /nfs/dbraw/zinc/85/00/61/655850061.db2.gz RPYDTDLNCBURKT-UHFFFAOYSA-N 0 2 387.801 2.564 20 5 GFBDLN COC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000768883204 656258625 /nfs/dbraw/zinc/25/86/25/656258625.db2.gz XHZAKRREXUWWAB-UHFFFAOYSA-N 0 2 376.799 2.897 20 5 GFBDLN COc1ccccc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000775118833 656600949 /nfs/dbraw/zinc/60/09/49/656600949.db2.gz QBUXKGBDLMNGKK-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN COc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(OC)c(C)c1OC ZINC000794614013 658577777 /nfs/dbraw/zinc/57/77/77/658577777.db2.gz QGNBHHJODIQYBM-UHFFFAOYSA-N 0 2 388.423 2.791 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)cs1 ZINC000795621516 658836573 /nfs/dbraw/zinc/83/65/73/658836573.db2.gz QMDDGVFQEVMMHA-UHFFFAOYSA-N 0 2 375.453 2.808 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)ccc1[N+](=O)[O-] ZINC000375714318 563415767 /nfs/dbraw/zinc/41/57/67/563415767.db2.gz LIULHDGCNCJPEK-UHFFFAOYSA-N 0 2 387.464 2.650 20 5 GFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000328178057 563460546 /nfs/dbraw/zinc/46/05/46/563460546.db2.gz LGKAXKXVGKDPCI-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nn1CC(F)(F)F ZINC000416945600 563863477 /nfs/dbraw/zinc/86/34/77/563863477.db2.gz CKSDHCVMQMEYRQ-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN CC(C)c1nnc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000451681820 564339293 /nfs/dbraw/zinc/33/92/93/564339293.db2.gz YWEOXXPFWBJRFG-UHFFFAOYSA-N 0 2 394.240 2.622 20 5 GFBDLN CC(C)c1nc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000451681820 564339297 /nfs/dbraw/zinc/33/92/97/564339297.db2.gz YWEOXXPFWBJRFG-UHFFFAOYSA-N 0 2 394.240 2.622 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000543871678 564367901 /nfs/dbraw/zinc/36/79/01/564367901.db2.gz XLURYOCYGCKRMA-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000512786143 564411909 /nfs/dbraw/zinc/41/19/09/564411909.db2.gz VDRHEWGPZLFSGT-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc(O[C@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000466968076 564951638 /nfs/dbraw/zinc/95/16/38/564951638.db2.gz VUOGQASQCPEIKP-ZDUSSCGKSA-N 0 2 384.435 2.933 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc3cccnc3n2C)cc1[N+](=O)[O-] ZINC000467040806 564953144 /nfs/dbraw/zinc/95/31/44/564953144.db2.gz NKZFWWHEGFVFKF-UHFFFAOYSA-N 0 2 381.801 2.639 20 5 GFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000468515930 564985156 /nfs/dbraw/zinc/98/51/56/564985156.db2.gz HPBPFNGMKGUGSK-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN O=C(N=c1[nH]ccc2cc(Br)ccc21)c1cc([N+](=O)[O-])cnc1O ZINC000590384451 565185808 /nfs/dbraw/zinc/18/58/08/565185808.db2.gz UMGADQHFVUMZKS-UHFFFAOYSA-N 0 2 389.165 2.680 20 5 GFBDLN CCCCCc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)s1 ZINC000619507281 565346044 /nfs/dbraw/zinc/34/60/44/565346044.db2.gz YWQXGPZYHFECIB-UHFFFAOYSA-N 0 2 386.455 2.988 20 5 GFBDLN CCOC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc1C ZINC000608927496 566027922 /nfs/dbraw/zinc/02/79/22/566027922.db2.gz XWAZPACSBUKVGH-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)s2)s1 ZINC000610612182 566089766 /nfs/dbraw/zinc/08/97/66/566089766.db2.gz JCRZAMQEDBSSCM-UHFFFAOYSA-N 0 2 382.448 2.899 20 5 GFBDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610863920 566103920 /nfs/dbraw/zinc/10/39/20/566103920.db2.gz CSPMQZDEEGGCBN-UHFFFAOYSA-N 0 2 375.815 2.518 20 5 GFBDLN O=C([O-])c1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc([N+](=O)[O-])c1 ZINC000738672994 600149672 /nfs/dbraw/zinc/14/96/72/600149672.db2.gz OSRSTNJAZVNCNM-UHFFFAOYSA-N 0 2 398.419 2.998 20 5 GFBDLN CNc1cc(N2CCC[C@H]2CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])nc[nH+]1 ZINC000737561701 600214480 /nfs/dbraw/zinc/21/44/80/600214480.db2.gz JCWVGFAUHOIEJF-DYLGSBMWSA-N 0 2 398.423 2.605 20 5 GFBDLN CNc1cc(N2CCC[C@H]2CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[nH+]cn1 ZINC000737561701 600214481 /nfs/dbraw/zinc/21/44/81/600214481.db2.gz JCWVGFAUHOIEJF-DYLGSBMWSA-N 0 2 398.423 2.605 20 5 GFBDLN O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262024653 601900380 /nfs/dbraw/zinc/90/03/80/601900380.db2.gz ABMNIOQBFUDFHH-GJZGRUSLSA-N 0 2 386.408 2.934 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740174704 601929020 /nfs/dbraw/zinc/92/90/20/601929020.db2.gz KQDXAPDHUZSMCK-LSDHHAIUSA-N 0 2 390.440 2.839 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740174704 601929022 /nfs/dbraw/zinc/92/90/22/601929022.db2.gz KQDXAPDHUZSMCK-LSDHHAIUSA-N 0 2 390.440 2.839 20 5 GFBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000830138756 604227914 /nfs/dbraw/zinc/22/79/14/604227914.db2.gz ZZQSSCVPCLYNGQ-UHFFFAOYSA-N 0 2 390.440 2.696 20 5 GFBDLN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000611478689 604992486 /nfs/dbraw/zinc/99/24/86/604992486.db2.gz UVKOTSNEDGTFLX-AWEZNQCLSA-N 0 2 386.408 2.744 20 5 GFBDLN O=C(CSc1ccc([N+](=O)[O-])cn1)C1(NC(=O)C(F)(F)F)CCCC1 ZINC000829352497 660590193 /nfs/dbraw/zinc/59/01/93/660590193.db2.gz OOAWGTFQFLNYCZ-UHFFFAOYSA-N 0 2 377.344 2.642 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)s2)cc1 ZINC000005942121 654451527 /nfs/dbraw/zinc/45/15/27/654451527.db2.gz XPMITOXZGVVCIG-UHFFFAOYSA-N 0 2 376.419 2.838 20 5 GFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(N)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000176671356 655251772 /nfs/dbraw/zinc/25/17/72/655251772.db2.gz IRTMZDVKRWOGKD-UHFFFAOYSA-N 0 2 387.776 2.595 20 5 GFBDLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000751267388 655824362 /nfs/dbraw/zinc/82/43/62/655824362.db2.gz RSRHRTJFDKSRQQ-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN C[C@@](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C1CC1)C(F)(F)F ZINC000775211041 656616322 /nfs/dbraw/zinc/61/63/22/656616322.db2.gz WJJKNILADRXHSB-LLVKDONJSA-N 0 2 383.304 2.512 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)nc2Cl)cc([N+](=O)[O-])c1 ZINC000800837385 659335467 /nfs/dbraw/zinc/33/54/67/659335467.db2.gz HZBINECSWBUMMQ-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2cccc(-c3ncn(C)n3)c2)cc1[N+](=O)[O-] ZINC000119424110 551216263 /nfs/dbraw/zinc/21/62/63/551216263.db2.gz YFTBBXWMIAHENU-UHFFFAOYSA-N 0 2 379.423 2.561 20 5 GFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000126297783 551328126 /nfs/dbraw/zinc/32/81/26/551328126.db2.gz IBAYHXSDSRYXKH-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ncc(C2CCOCC2)s1 ZINC000296684095 563297225 /nfs/dbraw/zinc/29/72/25/563297225.db2.gz IRZQGXXYBNJZPO-UHFFFAOYSA-N 0 2 383.451 2.887 20 5 GFBDLN Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(F)(F)F ZINC000436172432 563666154 /nfs/dbraw/zinc/66/61/54/563666154.db2.gz QHKMTEZSIJZVDP-UHFFFAOYSA-N 0 2 384.723 2.801 20 5 GFBDLN CCn1nccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438793272 563710894 /nfs/dbraw/zinc/71/08/94/563710894.db2.gz OQWUZVPHNSWDPV-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c([N+](=O)[O-])n1 ZINC000443415553 563804882 /nfs/dbraw/zinc/80/48/82/563804882.db2.gz GAFPKWMGSAAOGF-UHFFFAOYSA-N 0 2 387.830 2.875 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(Cc3ccsc3)o2)c([N+](=O)[O-])c1 ZINC000446949096 563871222 /nfs/dbraw/zinc/87/12/22/563871222.db2.gz SJHXSVYTUDJFDV-UHFFFAOYSA-N 0 2 380.407 2.739 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)cc1C ZINC000446974248 563871489 /nfs/dbraw/zinc/87/14/89/563871489.db2.gz YIFDTKRUGHOBMM-UHFFFAOYSA-N 0 2 379.423 2.859 20 5 GFBDLN O=C(NCCOc1ccc(Br)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508887214 564275658 /nfs/dbraw/zinc/27/56/58/564275658.db2.gz CCRSPYHBJLTQBZ-UHFFFAOYSA-N 0 2 381.182 2.872 20 5 GFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(I)cc2)[nH]1 ZINC000478108395 564395270 /nfs/dbraw/zinc/39/52/70/564395270.db2.gz GDNKOHLGTFMPTG-UTCJRWHESA-N 0 2 385.117 2.571 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1(C(F)(F)F)CCOCC1 ZINC000545466319 564424543 /nfs/dbraw/zinc/42/45/43/564424543.db2.gz JGNHGSHUELRLDM-UHFFFAOYSA-N 0 2 388.751 2.638 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000461108511 564790093 /nfs/dbraw/zinc/79/00/93/564790093.db2.gz MXFIBNOJDVWAPH-UHFFFAOYSA-N 0 2 381.719 2.885 20 5 GFBDLN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1Cl ZINC000497787223 564876332 /nfs/dbraw/zinc/87/63/32/564876332.db2.gz TUBJCHPMWRWFDV-UHFFFAOYSA-N 0 2 385.785 2.578 20 5 GFBDLN Cc1nn2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)cnc2c1Cl ZINC000499172532 564920111 /nfs/dbraw/zinc/92/01/11/564920111.db2.gz FKDVSQKHKGGWQJ-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000466973409 564951780 /nfs/dbraw/zinc/95/17/80/564951780.db2.gz DXUKSLMBJBUYFW-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN CCc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)s1 ZINC000468358089 564982908 /nfs/dbraw/zinc/98/29/08/564982908.db2.gz HTGCYGPYXXWSSB-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000616252837 565194603 /nfs/dbraw/zinc/19/46/03/565194603.db2.gz SFBBCWNMBMZWDI-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595382858 565471755 /nfs/dbraw/zinc/47/17/55/565471755.db2.gz JSMGHCAYRIXGEK-SSDOTTSWSA-N 0 2 379.225 2.675 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c(C)c1[N+](=O)[O-] ZINC000598735303 565638486 /nfs/dbraw/zinc/63/84/86/565638486.db2.gz WGKVPTXRKIOGHG-UHFFFAOYSA-N 0 2 396.372 2.969 20 5 GFBDLN Cc1cc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000601460669 565785472 /nfs/dbraw/zinc/78/54/72/565785472.db2.gz KJVXWZYZRYWPMB-WCBMZHEXSA-N 0 2 388.389 2.743 20 5 GFBDLN Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738283755 600389550 /nfs/dbraw/zinc/38/95/50/600389550.db2.gz YMAIXIXSKCBZRJ-UHFFFAOYSA-N 0 2 399.403 2.686 20 5 GFBDLN CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737337477 600593842 /nfs/dbraw/zinc/59/38/42/600593842.db2.gz ZRRUHAZFTBTCKO-QGZVFWFLSA-N 0 2 380.360 2.678 20 5 GFBDLN O=C([O-])CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000833245441 601141546 /nfs/dbraw/zinc/14/15/46/601141546.db2.gz ADMJUFLFCMMCEO-UHFFFAOYSA-N 0 2 384.323 2.651 20 5 GFBDLN COc1c(C)c[nH+]c(CN(C)c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000831847668 601251323 /nfs/dbraw/zinc/25/13/23/601251323.db2.gz QNWMRUXAOCVGSY-UHFFFAOYSA-N 0 2 390.352 2.858 20 5 GFBDLN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000833030944 601643448 /nfs/dbraw/zinc/64/34/48/601643448.db2.gz BPTFADWAYZJOIT-UHFFFAOYSA-N 0 2 389.433 2.621 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000833816504 605677100 /nfs/dbraw/zinc/67/71/00/605677100.db2.gz DHSIAOCLPTYBOL-SJCJKPOMSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000833816504 605677105 /nfs/dbraw/zinc/67/71/05/605677105.db2.gz DHSIAOCLPTYBOL-SJCJKPOMSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832970 605909829 /nfs/dbraw/zinc/90/98/29/605909829.db2.gz VYAIQBYQEWQZAT-VWYCJHECSA-N 0 2 384.820 2.553 20 5 GFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832970 605909833 /nfs/dbraw/zinc/90/98/33/605909833.db2.gz VYAIQBYQEWQZAT-VWYCJHECSA-N 0 2 384.820 2.553 20 5 GFBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000830795022 660680225 /nfs/dbraw/zinc/68/02/25/660680225.db2.gz FWMCCSKERIOBLM-CYBMUJFWSA-N 0 2 379.722 2.531 20 5 GFBDLN CCc1nc(-c2ccccc2NS(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000120296530 655334320 /nfs/dbraw/zinc/33/43/20/655334320.db2.gz BLUKQBBIFZJHNR-UHFFFAOYSA-N 0 2 379.423 2.805 20 5 GFBDLN CO[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000742297472 655714433 /nfs/dbraw/zinc/71/44/33/655714433.db2.gz UOMDZBXWOHZWCL-MRVPVSSYSA-N 0 2 397.158 2.757 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(C(F)F)c2)ccc1Br ZINC000766376150 656170163 /nfs/dbraw/zinc/17/01/63/656170163.db2.gz QGPGLTJVRVYIBJ-UHFFFAOYSA-N 0 2 397.157 2.750 20 5 GFBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cn1 ZINC000782258237 657121288 /nfs/dbraw/zinc/12/12/88/657121288.db2.gz FZKVEPCXWMRDHQ-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN CNC(=O)Oc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000793466180 658399320 /nfs/dbraw/zinc/39/93/20/658399320.db2.gz FNRCBVIRRMPXGC-UHFFFAOYSA-N 0 2 385.785 2.767 20 5 GFBDLN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@H]2CCN2C2CCCC2)cc1Cl ZINC000859346950 662154756 /nfs/dbraw/zinc/15/47/56/662154756.db2.gz HQRZJICAWHEKQH-LLVKDONJSA-N 0 2 391.852 2.683 20 5 GFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)c1[N+](=O)[O-] ZINC000189293351 552468165 /nfs/dbraw/zinc/46/81/65/552468165.db2.gz HDLUPAQZIAXNNJ-DEOSSOPVSA-N 0 2 382.463 2.891 20 5 GFBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000295404420 563246121 /nfs/dbraw/zinc/24/61/21/563246121.db2.gz WQRUBRCPWZGYLW-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN COCCc1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000285064295 563501700 /nfs/dbraw/zinc/50/17/00/563501700.db2.gz KUOLWSIPZGJDEE-UHFFFAOYSA-N 0 2 385.829 2.941 20 5 GFBDLN CCCCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000437166246 563689710 /nfs/dbraw/zinc/68/97/10/563689710.db2.gz INWQWEJZWCVYLZ-UHFFFAOYSA-N 0 2 386.455 2.988 20 5 GFBDLN Cn1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc21 ZINC000442251965 563770188 /nfs/dbraw/zinc/77/01/88/563770188.db2.gz RSYLPZMNOANWBL-UHFFFAOYSA-N 0 2 382.785 2.641 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)c([N+](=O)[O-])n1 ZINC000443406786 563803855 /nfs/dbraw/zinc/80/38/55/563803855.db2.gz FSMAOKWTPFTPCI-UHFFFAOYSA-N 0 2 385.402 2.669 20 5 GFBDLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000471934676 564207996 /nfs/dbraw/zinc/20/79/96/564207996.db2.gz PFAGXELSVAKGFP-UHFFFAOYSA-N 0 2 388.477 2.767 20 5 GFBDLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000517158485 564525934 /nfs/dbraw/zinc/52/59/34/564525934.db2.gz LTGDWLXKXIWGSR-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000491058497 564785134 /nfs/dbraw/zinc/78/51/34/564785134.db2.gz HMHSLPKVXMKWGB-UHFFFAOYSA-N 0 2 383.813 2.751 20 5 GFBDLN Cc1noc(C)c1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556351841 564820693 /nfs/dbraw/zinc/82/06/93/564820693.db2.gz HDNQYRHQOKKHJY-UHFFFAOYSA-N 0 2 376.188 2.763 20 5 GFBDLN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N=c1ccc(C2CC2)n[nH]1 ZINC000530789356 564895206 /nfs/dbraw/zinc/89/52/06/564895206.db2.gz JDXUNXZDWNUZNU-UHFFFAOYSA-N 0 2 377.198 2.628 20 5 GFBDLN CCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2C)cc1[N+](=O)[O-] ZINC000596044697 565508741 /nfs/dbraw/zinc/50/87/41/565508741.db2.gz HBAIGKIDPZXCCM-UHFFFAOYSA-N 0 2 378.332 2.710 20 5 GFBDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610863963 566103159 /nfs/dbraw/zinc/10/31/59/566103159.db2.gz OOSRJKOXYUMZJY-UHFFFAOYSA-N 0 2 375.815 2.518 20 5 GFBDLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737969325 599858003 /nfs/dbraw/zinc/85/80/03/599858003.db2.gz FPWHELMLHWIEPB-MRXNPFEDSA-N 0 2 393.783 2.611 20 5 GFBDLN O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000192962930 600221985 /nfs/dbraw/zinc/22/19/85/600221985.db2.gz OOLGBTDIXCZKNY-CQSZACIVSA-N 0 2 378.344 2.609 20 5 GFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736216398 600290179 /nfs/dbraw/zinc/29/01/79/600290179.db2.gz QGSQANHNUIBASG-CMPLNLGQSA-N 0 2 381.816 2.762 20 5 GFBDLN O=C([O-])c1cc([N+](=O)[O-])c(N2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000740094424 600943113 /nfs/dbraw/zinc/94/31/13/600943113.db2.gz DYWWUTQOIIYXTI-UHFFFAOYSA-N 0 2 376.800 2.664 20 5 GFBDLN C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237630655 601393918 /nfs/dbraw/zinc/39/39/18/601393918.db2.gz MEISMMYINSIFBV-UGSOOPFHSA-N 0 2 394.387 2.972 20 5 GFBDLN O=C([O-])NCc1cccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000740677163 602728730 /nfs/dbraw/zinc/72/87/30/602728730.db2.gz SUUKGQPEVQRCPH-UHFFFAOYSA-N 0 2 382.332 2.767 20 5 GFBDLN O=C([O-])CCc1csc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000833241134 604729651 /nfs/dbraw/zinc/72/96/51/604729651.db2.gz YARMSKOMMBXHRB-UHFFFAOYSA-N 0 2 387.377 2.507 20 5 GFBDLN Cc1nn(C)c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000066737628 654913811 /nfs/dbraw/zinc/91/38/11/654913811.db2.gz RCZYWSSZNYHFTL-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000161092027 655125811 /nfs/dbraw/zinc/12/58/11/655125811.db2.gz AVCWVBQMMUBFMY-UHFFFAOYSA-N 0 2 383.813 2.751 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1C(=O)NC(C)C ZINC000120247401 655332536 /nfs/dbraw/zinc/33/25/36/655332536.db2.gz ICYWWLPQTQGEAX-UHFFFAOYSA-N 0 2 383.451 2.904 20 5 GFBDLN CCCn1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000743263176 655727527 /nfs/dbraw/zinc/72/75/27/655727527.db2.gz GTKJIZJSIFDVAE-UHFFFAOYSA-N 0 2 389.231 2.765 20 5 GFBDLN CC(C)(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000758427441 655932422 /nfs/dbraw/zinc/93/24/22/655932422.db2.gz OPWZJYRGNUUCCZ-JTQLQIEISA-N 0 2 385.320 2.758 20 5 GFBDLN CSc1cc2c(cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1)OCCO2 ZINC000768882396 656258480 /nfs/dbraw/zinc/25/84/80/656258480.db2.gz GTMQAHKGZRCLQA-UHFFFAOYSA-N 0 2 388.448 2.950 20 5 GFBDLN COc1cc(Br)c(Cc2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1OC ZINC000842489011 661342027 /nfs/dbraw/zinc/34/20/27/661342027.db2.gz LPKBSQNBCPTFEF-PSASIEDQSA-N 0 2 384.186 2.573 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2SC)c([N+](=O)[O-])c1 ZINC000028196819 551123748 /nfs/dbraw/zinc/12/37/48/551123748.db2.gz JTTDEHXMWWPRSP-UHFFFAOYSA-N 0 2 382.419 2.904 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1[N+](=O)[O-] ZINC000119147770 551215672 /nfs/dbraw/zinc/21/56/72/551215672.db2.gz HNTHVAXTWHASJQ-UHFFFAOYSA-N 0 2 381.435 2.675 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000121148200 551228378 /nfs/dbraw/zinc/22/83/78/551228378.db2.gz VUGUNWYCKCRMBU-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN Cc1nn(C)c2ncc(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc12 ZINC000131250436 551373256 /nfs/dbraw/zinc/37/32/56/551373256.db2.gz LVSMRCIXMKGJKS-UHFFFAOYSA-N 0 2 381.801 2.639 20 5 GFBDLN Cc1n[nH]c(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1C ZINC000151415787 551413415 /nfs/dbraw/zinc/41/34/15/551413415.db2.gz TZEDQQCRECQPSC-UHFFFAOYSA-N 0 2 389.231 2.806 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2cncc(Br)c2)c([N+](=O)[O-])c1 ZINC000158180166 551547899 /nfs/dbraw/zinc/54/78/99/551547899.db2.gz IPKQJCZSKJGDLQ-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nn1C ZINC000161516938 551595716 /nfs/dbraw/zinc/59/57/16/551595716.db2.gz RHWSYBWFZMCOBE-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)ccc1[N+](=O)[O-] ZINC000182948766 552297048 /nfs/dbraw/zinc/29/70/48/552297048.db2.gz VTNCKQLLJZKGTN-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN COc1c(F)cc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1[N+](=O)[O-] ZINC000488310115 564709233 /nfs/dbraw/zinc/70/92/33/564709233.db2.gz PIYNMBKMYWPUIR-UHFFFAOYSA-N 0 2 376.749 2.902 20 5 GFBDLN COC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)sc1C(C)C ZINC000577142361 564726617 /nfs/dbraw/zinc/72/66/17/564726617.db2.gz ZTDKAYUYVNPEMR-UHFFFAOYSA-N 0 2 391.452 2.824 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000461110192 564790108 /nfs/dbraw/zinc/79/01/08/564790108.db2.gz HBQHDWDYXRHUGT-UHFFFAOYSA-N 0 2 381.719 2.885 20 5 GFBDLN CCOC(=O)c1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1C ZINC000467305343 564961192 /nfs/dbraw/zinc/96/11/92/564961192.db2.gz RVEJYAKYPPZWEQ-UHFFFAOYSA-N 0 2 387.801 2.564 20 5 GFBDLN CCn1nc(C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600670090 565744194 /nfs/dbraw/zinc/74/41/94/565744194.db2.gz MMOVRRVDLKXFES-UHFFFAOYSA-N 0 2 378.332 2.939 20 5 GFBDLN O=C(N=c1cccn[nH]1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000609861124 566056062 /nfs/dbraw/zinc/05/60/62/566056062.db2.gz OQHAEHBESWAQQL-UHFFFAOYSA-N 0 2 379.163 2.552 20 5 GFBDLN Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000833059369 600932719 /nfs/dbraw/zinc/93/27/19/600932719.db2.gz YHOZJRMBSMROBZ-QGZVFWFLSA-N 0 2 394.387 2.740 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000825264611 604258908 /nfs/dbraw/zinc/25/89/08/604258908.db2.gz LWXIXPJGJGPPLW-QWRGUYRKSA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000825264611 604258909 /nfs/dbraw/zinc/25/89/09/604258909.db2.gz LWXIXPJGJGPPLW-QWRGUYRKSA-N 0 2 384.820 2.555 20 5 GFBDLN CN(C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1C(=O)[O-] ZINC000830478018 604785784 /nfs/dbraw/zinc/78/57/84/604785784.db2.gz JHWXATKRDGGMNP-UHFFFAOYSA-N 0 2 383.404 2.920 20 5 GFBDLN CN(C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1C(=O)[O-] ZINC000830478018 604785785 /nfs/dbraw/zinc/78/57/85/604785785.db2.gz JHWXATKRDGGMNP-UHFFFAOYSA-N 0 2 383.404 2.920 20 5 GFBDLN Cc1cc(Cl)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000822202063 607154436 /nfs/dbraw/zinc/15/44/36/607154436.db2.gz JJMYIMCOLVXFIY-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000830815972 660681334 /nfs/dbraw/zinc/68/13/34/660681334.db2.gz IBJGONDRLAFZRO-ZDUSSCGKSA-N 0 2 379.722 2.531 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2ccc(Br)nc2)ccc1[N+](=O)[O-] ZINC000152646078 655060416 /nfs/dbraw/zinc/06/04/16/655060416.db2.gz MISCMYBNEIQUHQ-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000276857880 655290666 /nfs/dbraw/zinc/29/06/66/655290666.db2.gz GAHRMISRHVMUIP-UHFFFAOYSA-N 0 2 396.372 2.969 20 5 GFBDLN O=C1CCCN1c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000768879520 656258357 /nfs/dbraw/zinc/25/83/57/656258357.db2.gz DKQHOEPWRXNSSL-UHFFFAOYSA-N 0 2 385.398 2.723 20 5 GFBDLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000788091102 657650369 /nfs/dbraw/zinc/65/03/69/657650369.db2.gz QDPJBEZUZZSMSX-UHFFFAOYSA-N 0 2 387.830 2.701 20 5 GFBDLN COC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(F)cc1Cl ZINC000795278028 658800148 /nfs/dbraw/zinc/80/01/48/658800148.db2.gz QPHFRPBLURFHSS-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN Cc1nnc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)s1 ZINC000795925852 658873103 /nfs/dbraw/zinc/87/31/03/658873103.db2.gz XJOVMWFHEWKNPC-YFKPBYRVSA-N 0 2 380.810 2.587 20 5 GFBDLN COc1ccnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000131803158 551375731 /nfs/dbraw/zinc/37/57/31/551375731.db2.gz ISHYNIFRIWBOQE-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)ccc1Cl ZINC000163199602 551617212 /nfs/dbraw/zinc/61/72/12/551617212.db2.gz SAIXIYGISIRRQC-UHFFFAOYSA-N 0 2 379.785 2.834 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)ccc1Cl ZINC000163199602 551617214 /nfs/dbraw/zinc/61/72/14/551617214.db2.gz SAIXIYGISIRRQC-UHFFFAOYSA-N 0 2 379.785 2.834 20 5 GFBDLN CCN1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)sc2C1 ZINC000171146905 551648435 /nfs/dbraw/zinc/64/84/35/551648435.db2.gz SBSRSCBHSOGNJV-UHFFFAOYSA-N 0 2 382.467 2.539 20 5 GFBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)Nc1cc(Cl)ccc1Cl ZINC000184955726 552349043 /nfs/dbraw/zinc/34/90/43/552349043.db2.gz MKWHTDLRABRTGS-UHFFFAOYSA-N 0 2 384.175 2.976 20 5 GFBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000185626955 552367568 /nfs/dbraw/zinc/36/75/68/552367568.db2.gz JSMDBLGUUCVHFI-UHFFFAOYSA-N 0 2 379.423 2.919 20 5 GFBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000326878159 563456360 /nfs/dbraw/zinc/45/63/60/563456360.db2.gz ZHNFUMUCAIGSGP-UHFFFAOYSA-N 0 2 382.419 2.904 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000471955769 564207825 /nfs/dbraw/zinc/20/78/25/564207825.db2.gz QFQVUTTWTIBMQD-UHFFFAOYSA-N 0 2 376.749 2.902 20 5 GFBDLN COC(=O)c1c(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1F ZINC000556483996 564827900 /nfs/dbraw/zinc/82/79/00/564827900.db2.gz CRTLMDRJISXQEL-UHFFFAOYSA-N 0 2 388.398 3.000 20 5 GFBDLN CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000497959574 564882154 /nfs/dbraw/zinc/88/21/54/564882154.db2.gz LEGJOPDZRUWYEC-UHFFFAOYSA-N 0 2 383.813 2.685 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccccc2NC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000466957658 564950920 /nfs/dbraw/zinc/95/09/20/564950920.db2.gz LAIZYZBUQGDZJS-UHFFFAOYSA-N 0 2 384.439 2.859 20 5 GFBDLN COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000619668412 565353751 /nfs/dbraw/zinc/35/37/51/565353751.db2.gz AQBDJUHULCXRQH-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000598715136 565637024 /nfs/dbraw/zinc/63/70/24/565637024.db2.gz VUAPYWYOOMKVGF-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN Cc1cc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000601460664 565785366 /nfs/dbraw/zinc/78/53/66/565785366.db2.gz KJVXWZYZRYWPMB-PSASIEDQSA-N 0 2 388.389 2.743 20 5 GFBDLN Cc1noc(C)c1C[NH+]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000833022043 602253645 /nfs/dbraw/zinc/25/36/45/602253645.db2.gz YIKQEGKMICWVJT-UHFFFAOYSA-N 0 2 394.815 2.873 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000825264609 604259007 /nfs/dbraw/zinc/25/90/07/604259007.db2.gz LWXIXPJGJGPPLW-GHMZBOCLSA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000825264609 604259008 /nfs/dbraw/zinc/25/90/08/604259008.db2.gz LWXIXPJGJGPPLW-GHMZBOCLSA-N 0 2 384.820 2.555 20 5 GFBDLN CN(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1C(=O)[O-] ZINC000833684546 605052652 /nfs/dbraw/zinc/05/26/52/605052652.db2.gz IONGSSKJATZMDL-UHFFFAOYSA-N 0 2 383.404 2.920 20 5 GFBDLN CN(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1C(=O)[O-] ZINC000833684546 605052653 /nfs/dbraw/zinc/05/26/53/605052653.db2.gz IONGSSKJATZMDL-UHFFFAOYSA-N 0 2 383.404 2.920 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-n2cncn2)c(Cl)c1 ZINC000055583551 654778362 /nfs/dbraw/zinc/77/83/62/654778362.db2.gz HUTSFHFMDAJRPW-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN CC(C)c1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000266300759 654870620 /nfs/dbraw/zinc/87/06/20/654870620.db2.gz BGAWKCZAOWKOMW-UHFFFAOYSA-N 0 2 385.423 2.747 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000066247178 654897273 /nfs/dbraw/zinc/89/72/73/654897273.db2.gz INTNQOAOXGBMTG-UHFFFAOYSA-N 0 2 391.814 2.682 20 5 GFBDLN O=c1[nH]nc([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3Br)C2)[nH]1 ZINC000839604817 661095115 /nfs/dbraw/zinc/09/51/15/661095115.db2.gz PFIXWDHXOPYDLP-JTQLQIEISA-N 0 2 382.218 2.561 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)c1C ZINC000775102594 656600156 /nfs/dbraw/zinc/60/01/56/656600156.db2.gz QZXLSYMGYVIGMD-UHFFFAOYSA-N 0 2 380.304 2.500 20 5 GFBDLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000775155113 656604087 /nfs/dbraw/zinc/60/40/87/656604087.db2.gz MGNLBPJTCXJYKQ-UHFFFAOYSA-N 0 2 384.370 2.955 20 5 GFBDLN CC[C@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(F)(F)F ZINC000786891923 657482899 /nfs/dbraw/zinc/48/28/99/657482899.db2.gz RMZIPVHLBIKLAM-VIFPVBQESA-N 0 2 391.165 2.977 20 5 GFBDLN C[C@@H]1CCCCN1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795791580 658851748 /nfs/dbraw/zinc/85/17/48/658851748.db2.gz KSVKRAZWGFHOAA-SNVBAGLBSA-N 0 2 379.841 2.540 20 5 GFBDLN COc1cncc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000799124293 659166789 /nfs/dbraw/zinc/16/67/89/659166789.db2.gz JHDBXIOLOHDNRG-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN Cc1ccc(N2CCC(c3n[nH]c(=O)[nH]3)CC2)c([N+](=O)[O-])c1Br ZINC000804681094 659666793 /nfs/dbraw/zinc/66/67/93/659666793.db2.gz ZUEIIJYPPAWISN-UHFFFAOYSA-N 0 2 382.218 2.873 20 5 GFBDLN CCC(F)(F)CNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000859323194 662153315 /nfs/dbraw/zinc/15/33/15/662153315.db2.gz WHUPECPDSJVBIU-UHFFFAOYSA-N 0 2 391.165 2.820 20 5 GFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000008053009 551103068 /nfs/dbraw/zinc/10/30/68/551103068.db2.gz SNPBFUDEQMUDOM-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cccc(-n2ccnn2)c1 ZINC000130480317 551365380 /nfs/dbraw/zinc/36/53/80/551365380.db2.gz ZWMWFHDEKMVNHB-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c1C ZINC000160233705 551577775 /nfs/dbraw/zinc/57/77/75/551577775.db2.gz BJYHHCBEJJAJCC-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN O=C(N[C@H](CO)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O ZINC000182179021 552277865 /nfs/dbraw/zinc/27/78/65/552277865.db2.gz SEFLAQWYMXZZEW-CYBMUJFWSA-N 0 2 381.182 2.526 20 5 GFBDLN CCc1nc([C@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n[nH]1 ZINC000295190813 563233979 /nfs/dbraw/zinc/23/39/79/563233979.db2.gz RBSBULLZDNXRHN-LURJTMIESA-N 0 2 394.240 2.622 20 5 GFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000436176627 563666569 /nfs/dbraw/zinc/66/65/69/563666569.db2.gz IMCBMDHSVFNQSE-UHFFFAOYSA-N 0 2 376.437 2.922 20 5 GFBDLN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000436888226 563684156 /nfs/dbraw/zinc/68/41/56/563684156.db2.gz REYPVMPHHHUXAG-UHFFFAOYSA-N 0 2 375.566 2.702 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000414435850 563737770 /nfs/dbraw/zinc/73/77/70/563737770.db2.gz FVUVNQDUAYUETN-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000451719209 564343237 /nfs/dbraw/zinc/34/32/37/564343237.db2.gz VUCASYNWXPJOMW-CBAPKCEASA-N 0 2 393.195 2.585 20 5 GFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)c3c(c2)OCCO3)[nH]1 ZINC000486051802 564636824 /nfs/dbraw/zinc/63/68/24/564636824.db2.gz MBYYRTMHXLBXDZ-UPHRSURJSA-N 0 2 396.153 2.500 20 5 GFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000468523537 564985902 /nfs/dbraw/zinc/98/59/02/564985902.db2.gz QNVYERSEZLCWNJ-UHFFFAOYSA-N 0 2 382.419 2.904 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000584502598 565084403 /nfs/dbraw/zinc/08/44/03/565084403.db2.gz MHVXBQUQCXBOPJ-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN COC(=O)c1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1C ZINC000619468078 565342215 /nfs/dbraw/zinc/34/22/15/565342215.db2.gz WDTUXSHTYJCRRY-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000600667202 565743430 /nfs/dbraw/zinc/74/34/30/565743430.db2.gz WSZYHOLMPMENOF-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)nnc1C ZINC000609848774 566055089 /nfs/dbraw/zinc/05/50/89/566055089.db2.gz AHBXTPPSRUCIGO-UHFFFAOYSA-N 0 2 387.215 2.565 20 5 GFBDLN Cc1cn(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738798828 600027089 /nfs/dbraw/zinc/02/70/89/600027089.db2.gz MXGQLXJHJGGLPP-UHFFFAOYSA-N 0 2 396.403 2.643 20 5 GFBDLN Cc1cn(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738798828 600027092 /nfs/dbraw/zinc/02/70/92/600027092.db2.gz MXGQLXJHJGGLPP-UHFFFAOYSA-N 0 2 396.403 2.643 20 5 GFBDLN CNc1cc(N2CCC[C@H]2CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nc[nH+]1 ZINC000737561706 600214458 /nfs/dbraw/zinc/21/44/58/600214458.db2.gz JCWVGFAUHOIEJF-VSKVDJIOSA-N 0 2 398.423 2.605 20 5 GFBDLN CNc1cc(N2CCC[C@H]2CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[nH+]cn1 ZINC000737561706 600214460 /nfs/dbraw/zinc/21/44/60/600214460.db2.gz JCWVGFAUHOIEJF-VSKVDJIOSA-N 0 2 398.423 2.605 20 5 GFBDLN C[C@H](NC(=O)[O-])C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000739028081 602450328 /nfs/dbraw/zinc/45/03/28/602450328.db2.gz PUHYBYBHCKXTKE-JTQLQIEISA-N 0 2 384.820 2.555 20 5 GFBDLN O=C([O-])c1sccc1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000833107711 604786714 /nfs/dbraw/zinc/78/67/14/604786714.db2.gz UDVLRKQYZCUKTC-UHFFFAOYSA-N 0 2 375.406 2.958 20 5 GFBDLN O=C([O-])c1sccc1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000833107711 604786716 /nfs/dbraw/zinc/78/67/16/604786716.db2.gz UDVLRKQYZCUKTC-UHFFFAOYSA-N 0 2 375.406 2.958 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])nc1C ZINC000268729217 654984539 /nfs/dbraw/zinc/98/45/39/654984539.db2.gz SFOCDOWAEUDLOZ-UHFFFAOYSA-N 0 2 385.423 2.564 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000580236877 655510461 /nfs/dbraw/zinc/51/04/61/655510461.db2.gz QOJIWVYWNLHFCI-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnccc2-n2cccn2)ccc1Cl ZINC000730417180 655575790 /nfs/dbraw/zinc/57/57/90/655575790.db2.gz LRZSMUNYJJHKSC-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN Cc1noc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768506555 656240678 /nfs/dbraw/zinc/24/06/78/656240678.db2.gz UQMGHPDPKRBYTB-UHFFFAOYSA-N 0 2 376.188 2.763 20 5 GFBDLN CO[C@H](C)c1nsc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000788215413 657672519 /nfs/dbraw/zinc/67/25/19/657672519.db2.gz WFWYIJULVHJKRU-ZCFIWIBFSA-N 0 2 378.819 2.608 20 5 GFBDLN CO[C@@H](CS(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000842585193 661344637 /nfs/dbraw/zinc/34/46/37/661344637.db2.gz VADQHYUMHQXOIX-LBPRGKRZSA-N 0 2 379.232 2.524 20 5 GFBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903901292 663810628 /nfs/dbraw/zinc/81/06/28/663810628.db2.gz FLMSLZXBTUKZBO-SECBINFHSA-N 0 2 375.244 2.749 20 5 GFBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903901292 663810631 /nfs/dbraw/zinc/81/06/31/663810631.db2.gz FLMSLZXBTUKZBO-SECBINFHSA-N 0 2 375.244 2.749 20 5 GFBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(-n2cccn2)nc1 ZINC000145691646 551397072 /nfs/dbraw/zinc/39/70/72/551397072.db2.gz ASXGUUNTILSKQK-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n(C)n1 ZINC000162335720 551607329 /nfs/dbraw/zinc/60/73/29/551607329.db2.gz RYRXOFWALARXJK-UHFFFAOYSA-N 0 2 378.332 2.710 20 5 GFBDLN O=[N+]([O-])c1cc(NS(=O)(=O)C[C@@H]2CCCCO2)ccc1Br ZINC000180350171 552223495 /nfs/dbraw/zinc/22/34/95/552223495.db2.gz QGJQEWVBBRBZBU-JTQLQIEISA-N 0 2 379.232 2.668 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C[S@](C)=O)c1C ZINC000185658823 552368964 /nfs/dbraw/zinc/36/89/64/552368964.db2.gz NXKXWWVFKGJSBG-DEOSSOPVSA-N 0 2 382.463 2.891 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(CCc3ccccc3)o2)s1 ZINC000194847039 553031682 /nfs/dbraw/zinc/03/16/82/553031682.db2.gz MTMXZPGSYLALRQ-UHFFFAOYSA-N 0 2 380.407 2.625 20 5 GFBDLN CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000451719210 564342836 /nfs/dbraw/zinc/34/28/36/564342836.db2.gz VUCASYNWXPJOMW-IONNQARKSA-N 0 2 393.195 2.585 20 5 GFBDLN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)CCOCC2CC2)c1 ZINC000424066007 563369398 /nfs/dbraw/zinc/36/93/98/563369398.db2.gz MPEDJPYCDMSADD-UHFFFAOYSA-N 0 2 379.232 2.526 20 5 GFBDLN COC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C(C)C ZINC000288706876 563653917 /nfs/dbraw/zinc/65/39/17/563653917.db2.gz YUFRDPGXFPWJAM-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)cc1[N+](=O)[O-] ZINC000414395209 563733500 /nfs/dbraw/zinc/73/35/00/563733500.db2.gz JORDNJABMGPRDC-LBPRGKRZSA-N 0 2 381.435 2.717 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)cc1[N+](=O)[O-] ZINC000565297144 564274701 /nfs/dbraw/zinc/27/47/01/564274701.db2.gz FWDFVEFJJFNSQH-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN CCc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])on1 ZINC000525189572 564694645 /nfs/dbraw/zinc/69/46/45/564694645.db2.gz DDDGETKDHSQZOJ-UHFFFAOYSA-N 0 2 380.209 2.931 20 5 GFBDLN CC(C)c1nnc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000467768575 564971884 /nfs/dbraw/zinc/97/18/84/564971884.db2.gz JDCXHGYDIPLZQT-UHFFFAOYSA-N 0 2 376.847 2.702 20 5 GFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000468349090 564982617 /nfs/dbraw/zinc/98/26/17/564982617.db2.gz MMFBQRIGFPZWFI-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1C1CC1 ZINC000534672946 564994263 /nfs/dbraw/zinc/99/42/63/564994263.db2.gz ZVAODBYIFKTEGK-UHFFFAOYSA-N 0 2 383.407 2.516 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000469117790 565006320 /nfs/dbraw/zinc/00/63/20/565006320.db2.gz CPMCGELXWDJDCL-UHFFFAOYSA-N 0 2 376.316 2.767 20 5 GFBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ncc1Br ZINC000535690635 565017713 /nfs/dbraw/zinc/01/77/13/565017713.db2.gz RKFDZBGYCYXBDD-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)cc1[N+](=O)[O-] ZINC000594725629 565411840 /nfs/dbraw/zinc/41/18/40/565411840.db2.gz BMEIZDVGRXRSIU-UHFFFAOYSA-N 0 2 386.455 2.844 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000830403658 602198370 /nfs/dbraw/zinc/19/83/70/602198370.db2.gz SAYCWFZMLAXWFE-RISCZKNCSA-N 0 2 391.453 2.619 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000830403658 602198372 /nfs/dbraw/zinc/19/83/72/602198372.db2.gz SAYCWFZMLAXWFE-RISCZKNCSA-N 0 2 391.453 2.619 20 5 GFBDLN CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000738805883 603225725 /nfs/dbraw/zinc/22/57/25/603225725.db2.gz KKTCKKPZPDFBIS-GOSISDBHSA-N 0 2 389.412 2.583 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000825262661 604206432 /nfs/dbraw/zinc/20/64/32/604206432.db2.gz BREKVEUSOCMJFV-QWRGUYRKSA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000825262661 604206435 /nfs/dbraw/zinc/20/64/35/604206435.db2.gz BREKVEUSOCMJFV-QWRGUYRKSA-N 0 2 384.820 2.555 20 5 GFBDLN CC(C)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1 ZINC000820198299 607153236 /nfs/dbraw/zinc/15/32/36/607153236.db2.gz VAJPCXKHPQZNFP-UHFFFAOYSA-N 0 2 388.409 2.699 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)cs1 ZINC000119973022 655323567 /nfs/dbraw/zinc/32/35/67/655323567.db2.gz CCYGGPLDUKJFCC-UHFFFAOYSA-N 0 2 388.496 2.900 20 5 GFBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cncc(F)c2)ccc1Br ZINC000769636270 656283464 /nfs/dbraw/zinc/28/34/64/656283464.db2.gz SOLWEXJIGFJBSV-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)cc1[N+](=O)[O-] ZINC000811717393 660014702 /nfs/dbraw/zinc/01/47/02/660014702.db2.gz IGSPWEFDFGZFFE-UHFFFAOYSA-N 0 2 382.785 2.939 20 5 GFBDLN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n[nH]1 ZINC000815029181 660103988 /nfs/dbraw/zinc/10/39/88/660103988.db2.gz LGTLAZPMVPYVTQ-SSDOTTSWSA-N 0 2 391.812 2.668 20 5 GFBDLN Cc1ccn(C)c(=O)c1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000126411022 551329639 /nfs/dbraw/zinc/32/96/39/551329639.db2.gz NPNVMVNCHJSNIV-UHFFFAOYSA-N 0 2 392.220 2.710 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Br)nn2C)c1C ZINC000292437220 563786432 /nfs/dbraw/zinc/78/64/32/563786432.db2.gz JNWXANLZWVPPLS-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN CCn1cc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cn1 ZINC000174675035 552108226 /nfs/dbraw/zinc/10/82/26/552108226.db2.gz GULQGCNZUYYMMB-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN O=C(N[C@@H](CO)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O ZINC000182179040 552277606 /nfs/dbraw/zinc/27/76/06/552277606.db2.gz SEFLAQWYMXZZEW-ZDUSSCGKSA-N 0 2 381.182 2.526 20 5 GFBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000182381182 552282565 /nfs/dbraw/zinc/28/25/65/552282565.db2.gz PNQPFTHATSCCEY-UHFFFAOYSA-N 0 2 382.295 2.602 20 5 GFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)c1[N+](=O)[O-] ZINC000189293369 552468004 /nfs/dbraw/zinc/46/80/04/552468004.db2.gz HDLUPAQZIAXNNJ-XMMPIXPASA-N 0 2 382.463 2.891 20 5 GFBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000277590406 563215182 /nfs/dbraw/zinc/21/51/82/563215182.db2.gz HQNYXMDKNCSWSH-UHFFFAOYSA-N 0 2 398.135 2.753 20 5 GFBDLN Cc1cc(OCC(=O)N=c2nc(-c3ccsc3)[nH]s2)ccc1[N+](=O)[O-] ZINC000430532507 563545179 /nfs/dbraw/zinc/54/51/79/563545179.db2.gz QYSTZUMCFCLNPG-UHFFFAOYSA-N 0 2 376.419 2.923 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](C)CC3)ccc1[N+](=O)[O-] ZINC000332238460 563586552 /nfs/dbraw/zinc/58/65/52/563586552.db2.gz QTXJDLLEOSWSQK-VIFPVBQESA-N 0 2 383.451 2.986 20 5 GFBDLN O=C(N[C@@H](CO)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000538698546 564197422 /nfs/dbraw/zinc/19/74/22/564197422.db2.gz MQHFPTGEECGMKZ-LBPRGKRZSA-N 0 2 381.182 2.526 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000471982209 564208974 /nfs/dbraw/zinc/20/89/74/564208974.db2.gz BBHUESIOFRHRSX-UHFFFAOYSA-N 0 2 376.749 2.902 20 5 GFBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000474300065 564273342 /nfs/dbraw/zinc/27/33/42/564273342.db2.gz WFWPETCJDQHQNU-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1OCCO ZINC000543910506 564368526 /nfs/dbraw/zinc/36/85/26/564368526.db2.gz GAKFFKFKVMCSOG-UHFFFAOYSA-N 0 2 386.813 2.729 20 5 GFBDLN CC(=O)N1CCc2c1cccc2NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000547384527 564487209 /nfs/dbraw/zinc/48/72/09/564487209.db2.gz MJWGUBYWWUJOIB-UHFFFAOYSA-N 0 2 381.435 2.675 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)c(Cl)c1 ZINC000523536047 564668532 /nfs/dbraw/zinc/66/85/32/564668532.db2.gz BDOSPTXUWYGHKD-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC ZINC000468520650 564985864 /nfs/dbraw/zinc/98/58/64/564985864.db2.gz ANZQVZPENYGFCG-UHFFFAOYSA-N 0 2 382.419 2.904 20 5 GFBDLN COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000468934922 564999223 /nfs/dbraw/zinc/99/92/23/564999223.db2.gz MVMDJZIZSCPXRS-GFCCVEGCSA-N 0 2 390.826 2.502 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)nn1C ZINC000596046292 565509393 /nfs/dbraw/zinc/50/93/93/565509393.db2.gz OTRFPNBCQJHZRI-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c(C)c1[N+](=O)[O-] ZINC000598714755 565637277 /nfs/dbraw/zinc/63/72/77/565637277.db2.gz RNZGCZXOGGZKIH-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN O=C([O-])C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000739646633 600855746 /nfs/dbraw/zinc/85/57/46/600855746.db2.gz NWYITORQHTWBRE-AWEZNQCLSA-N 0 2 392.371 2.999 20 5 GFBDLN O=C([O-])c1cnc(N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000740258628 601038765 /nfs/dbraw/zinc/03/87/65/601038765.db2.gz HDRUXHUKFGWFQG-UHFFFAOYSA-N 0 2 399.388 2.744 20 5 GFBDLN O=C([O-])[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833109369 601542033 /nfs/dbraw/zinc/54/20/33/601542033.db2.gz WSBLDTRABFYKRK-QGZVFWFLSA-N 0 2 389.795 2.871 20 5 GFBDLN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833109369 601542034 /nfs/dbraw/zinc/54/20/34/601542034.db2.gz WSBLDTRABFYKRK-QGZVFWFLSA-N 0 2 389.795 2.871 20 5 GFBDLN O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262024655 601900414 /nfs/dbraw/zinc/90/04/14/601900414.db2.gz ABMNIOQBFUDFHH-HUUCEWRRSA-N 0 2 386.408 2.934 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000830403998 602200582 /nfs/dbraw/zinc/20/05/82/602200582.db2.gz YQDDYUQJNGNZLN-QGZVFWFLSA-N 0 2 391.453 2.763 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000830403998 602200586 /nfs/dbraw/zinc/20/05/86/602200586.db2.gz YQDDYUQJNGNZLN-QGZVFWFLSA-N 0 2 391.453 2.763 20 5 GFBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738627618 602538079 /nfs/dbraw/zinc/53/80/79/602538079.db2.gz ABMBFHLRHGVREB-QWRGUYRKSA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738627618 602538081 /nfs/dbraw/zinc/53/80/81/602538081.db2.gz ABMBFHLRHGVREB-QWRGUYRKSA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825264378 604238029 /nfs/dbraw/zinc/23/80/29/604238029.db2.gz KCFWWISHZCZPDM-WDEREUQCSA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825264378 604238031 /nfs/dbraw/zinc/23/80/31/604238031.db2.gz KCFWWISHZCZPDM-WDEREUQCSA-N 0 2 384.820 2.555 20 5 GFBDLN O=C([O-])Nc1ccc(CNC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000833286907 604803532 /nfs/dbraw/zinc/80/35/32/604803532.db2.gz XSEAYGJAVYPASR-UHFFFAOYSA-N 0 2 398.419 2.966 20 5 GFBDLN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000833286907 604803536 /nfs/dbraw/zinc/80/35/36/604803536.db2.gz XSEAYGJAVYPASR-UHFFFAOYSA-N 0 2 398.419 2.966 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826271420 608757978 /nfs/dbraw/zinc/75/79/78/608757978.db2.gz QMQJAPZHJJQUJW-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN CCCc1ncc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC000832500383 660783084 /nfs/dbraw/zinc/78/30/84/660783084.db2.gz HYBUGJRXSMCWDL-UHFFFAOYSA-N 0 2 377.781 2.806 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000013891879 654504756 /nfs/dbraw/zinc/50/47/56/654504756.db2.gz UJRPOUMIHJVYHW-UHFFFAOYSA-N 0 2 380.363 2.914 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000170552161 655144397 /nfs/dbraw/zinc/14/43/97/655144397.db2.gz JAWYPQMDMWHEIZ-UHFFFAOYSA-N 0 2 387.757 2.966 20 5 GFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000119747586 655313627 /nfs/dbraw/zinc/31/36/27/655313627.db2.gz CSJUPSUQUFITDB-UHFFFAOYSA-N 0 2 381.841 2.973 20 5 GFBDLN Cc1c(Br)c(N2CCC[C@@H](C3N=NC(=O)O3)C2)ncc1[N+](=O)[O-] ZINC000579538806 655501099 /nfs/dbraw/zinc/50/10/99/655501099.db2.gz LFQNVYCVQZLTPD-MRVPVSSYSA-N 0 2 384.190 2.533 20 5 GFBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1Cl ZINC000757473174 655911775 /nfs/dbraw/zinc/91/17/75/655911775.db2.gz NEUZOPRURFKQFY-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768867369 656258073 /nfs/dbraw/zinc/25/80/73/656258073.db2.gz WOCYTQXONGLQMS-UHFFFAOYSA-N 0 2 383.451 2.985 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc2[nH]ccc21 ZINC000808122684 659878602 /nfs/dbraw/zinc/87/86/02/659878602.db2.gz BTWLATUGXOPANZ-UHFFFAOYSA-N 0 2 381.391 2.725 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)c(Cl)cc1Cl ZINC000809826833 659945030 /nfs/dbraw/zinc/94/50/30/659945030.db2.gz RZJKSMNCVQGYNZ-SNVBAGLBSA-N 0 2 391.236 2.981 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(C(F)(F)F)s1 ZINC000121183767 551229225 /nfs/dbraw/zinc/22/92/25/551229225.db2.gz WODUOAXGZQMCDE-UHFFFAOYSA-N 0 2 382.345 2.828 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)c([N+](=O)[O-])c1 ZINC000126305336 551328078 /nfs/dbraw/zinc/32/80/78/551328078.db2.gz GJINXDQUKXXOAM-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000175022213 552114278 /nfs/dbraw/zinc/11/42/78/552114278.db2.gz KIGXGGOZNIQROV-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000182949040 552296982 /nfs/dbraw/zinc/29/69/82/552296982.db2.gz UCWMUDRCHNDXEY-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2noc(C3CC3)n2)c(C(F)(F)F)c1 ZINC000183398782 552308813 /nfs/dbraw/zinc/30/88/13/552308813.db2.gz ZFPOFJZPOFZBOJ-UHFFFAOYSA-N 0 2 378.288 2.675 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278357219 563251925 /nfs/dbraw/zinc/25/19/25/563251925.db2.gz JGJUOVIAURGIBS-LLVKDONJSA-N 0 2 388.789 2.592 20 5 GFBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(SC)cc1 ZINC000326814304 563455792 /nfs/dbraw/zinc/45/57/92/563455792.db2.gz GHCMXEUOEGHCRT-UHFFFAOYSA-N 0 2 382.419 2.904 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000442820623 563780552 /nfs/dbraw/zinc/78/05/52/563780552.db2.gz CCFNOAKINDPQQB-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN CC(C)c1nc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cn1C ZINC000416422730 563827051 /nfs/dbraw/zinc/82/70/51/563827051.db2.gz OBQPHOCCEYMFAS-UHFFFAOYSA-N 0 2 381.439 2.862 20 5 GFBDLN C[C@H](Sc1n[nH]c(=O)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446065903 563857997 /nfs/dbraw/zinc/85/79/97/563857997.db2.gz FDQUEKBFFIXNNF-YFKPBYRVSA-N 0 2 377.304 2.557 20 5 GFBDLN O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000538698538 564197222 /nfs/dbraw/zinc/19/72/22/564197222.db2.gz MQHFPTGEECGMKZ-GFCCVEGCSA-N 0 2 381.182 2.526 20 5 GFBDLN C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000545124945 564408803 /nfs/dbraw/zinc/40/88/03/564408803.db2.gz WFNZADPPQJSERC-HSZRJFAPSA-N 0 2 388.854 2.928 20 5 GFBDLN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000545124946 564409279 /nfs/dbraw/zinc/40/92/79/564409279.db2.gz WFNZADPPQJSERC-QHCPKHFHSA-N 0 2 388.854 2.928 20 5 GFBDLN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000554142739 564752065 /nfs/dbraw/zinc/75/20/65/564752065.db2.gz MFPQPCKGRZSETN-LBPRGKRZSA-N 0 2 399.172 2.665 20 5 GFBDLN CCSc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000464415118 564906500 /nfs/dbraw/zinc/90/65/00/564906500.db2.gz SJFLXTNDWNTAFC-UHFFFAOYSA-N 0 2 397.463 2.907 20 5 GFBDLN COc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000533327183 564960487 /nfs/dbraw/zinc/96/04/87/564960487.db2.gz XUSCGOBGQGDWGL-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN CCOC(=O)c1ncc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)s1 ZINC000563135987 565056951 /nfs/dbraw/zinc/05/69/51/565056951.db2.gz PFAXCCVSBJNEEL-UHFFFAOYSA-N 0 2 385.423 2.591 20 5 GFBDLN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cnn(CCF)c1 ZINC000600659605 565742301 /nfs/dbraw/zinc/74/23/01/565742301.db2.gz GZZSXVQCNIBETA-UHFFFAOYSA-N 0 2 382.295 2.580 20 5 GFBDLN CC[C@@]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736918610 600128891 /nfs/dbraw/zinc/12/88/91/600128891.db2.gz VHBXLONOINLELQ-IBGZPJMESA-N 0 2 387.392 2.522 20 5 GFBDLN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000833104935 601540755 /nfs/dbraw/zinc/54/07/55/601540755.db2.gz GAXJHGFMPWNCHC-RHSMWYFYSA-N 0 2 375.425 2.889 20 5 GFBDLN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000833104935 601540756 /nfs/dbraw/zinc/54/07/56/601540756.db2.gz GAXJHGFMPWNCHC-RHSMWYFYSA-N 0 2 375.425 2.889 20 5 GFBDLN Cc1nc(C2(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCCC2)no1 ZINC000119554169 655306990 /nfs/dbraw/zinc/30/69/90/655306990.db2.gz UNLOAYUEZBZXPK-UHFFFAOYSA-N 0 2 386.817 2.687 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])nc1C ZINC000277355211 655314368 /nfs/dbraw/zinc/31/43/68/655314368.db2.gz XXBBPRRQSBGILJ-UHFFFAOYSA-N 0 2 385.423 2.564 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)c(Cl)c1 ZINC000119828759 655317251 /nfs/dbraw/zinc/31/72/51/655317251.db2.gz GCMKFQNXMZCKEM-UHFFFAOYSA-N 0 2 379.785 2.834 20 5 GFBDLN CCN(Cc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)=O ZINC000120170765 655330166 /nfs/dbraw/zinc/33/01/66/655330166.db2.gz BCJUULXGQIQFSI-UHFFFAOYSA-N 0 2 383.451 2.826 20 5 GFBDLN Cc1noc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000748690448 655793904 /nfs/dbraw/zinc/79/39/04/655793904.db2.gz BMWZXKKYXVGZIU-UHFFFAOYSA-N 0 2 376.188 2.763 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3cc4c(cc3s2)OCCO4)cs1 ZINC000768851501 656256169 /nfs/dbraw/zinc/25/61/69/656256169.db2.gz YXUMLMORJVVWST-UHFFFAOYSA-N 0 2 399.431 2.838 20 5 GFBDLN Cc1cc(Br)ncc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768863364 656257289 /nfs/dbraw/zinc/25/72/89/656257289.db2.gz SJNGELMDPCIAJH-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN CS(=O)(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)s1 ZINC000770635468 656325166 /nfs/dbraw/zinc/32/51/66/656325166.db2.gz PLVGOHNRCKIYHD-UHFFFAOYSA-N 0 2 396.855 2.514 20 5 GFBDLN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000775156814 656604966 /nfs/dbraw/zinc/60/49/66/656604966.db2.gz HTGZNGNDMZAWIQ-CPCISQLKSA-N 0 2 385.320 2.758 20 5 GFBDLN CCc1ncsc1NS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000777640315 656831134 /nfs/dbraw/zinc/83/11/34/656831134.db2.gz SZMHSWMCOQCCMM-UHFFFAOYSA-N 0 2 386.411 2.593 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Br)nn2C)c1C ZINC000794050416 658481535 /nfs/dbraw/zinc/48/15/35/658481535.db2.gz HUGFUDVTHWMCJK-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000795629915 658837614 /nfs/dbraw/zinc/83/76/14/658837614.db2.gz MPJLMQOMWGAGMQ-UHFFFAOYSA-N 0 2 387.757 2.966 20 5 GFBDLN CO[C@H](CS(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000842585192 661344622 /nfs/dbraw/zinc/34/46/22/661344622.db2.gz VADQHYUMHQXOIX-GFCCVEGCSA-N 0 2 379.232 2.524 20 5 GFBDLN Cc1nc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000165250727 551628807 /nfs/dbraw/zinc/62/88/07/551628807.db2.gz XJPNQNHFBREIDL-UHFFFAOYSA-N 0 2 377.300 2.998 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181194265 552249749 /nfs/dbraw/zinc/24/97/49/552249749.db2.gz AFZHWBJVYVUZNR-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN O=C(NCCOc1cccc(Br)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194553311 553024289 /nfs/dbraw/zinc/02/42/89/553024289.db2.gz XHVSIWROMRLKEW-UHFFFAOYSA-N 0 2 381.182 2.872 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278357225 563251705 /nfs/dbraw/zinc/25/17/05/563251705.db2.gz JGJUOVIAURGIBS-NSHDSACASA-N 0 2 388.789 2.592 20 5 GFBDLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000278913907 563276310 /nfs/dbraw/zinc/27/63/10/563276310.db2.gz SIXIAYCTDSEGMG-CYBMUJFWSA-N 0 2 386.817 2.634 20 5 GFBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000392763900 563526909 /nfs/dbraw/zinc/52/69/09/563526909.db2.gz HHUJPSHZKIPGDK-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN CCn1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1=O ZINC000432351005 563582148 /nfs/dbraw/zinc/58/21/48/563582148.db2.gz HRLUBHNQJBGSJH-UHFFFAOYSA-N 0 2 392.220 2.884 20 5 GFBDLN O=C1CCN1c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000410415829 563590708 /nfs/dbraw/zinc/59/07/08/563590708.db2.gz FRXGTBDHCZMUTM-UHFFFAOYSA-N 0 2 381.797 2.786 20 5 GFBDLN O=C(N[C@H](CCO)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1O ZINC000436900875 563684969 /nfs/dbraw/zinc/68/49/69/563684969.db2.gz DZXMWAXDBQNJQD-CQSZACIVSA-N 0 2 395.209 2.916 20 5 GFBDLN CCc1nnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000437193921 563690657 /nfs/dbraw/zinc/69/06/57/563690657.db2.gz JVGIQHMQZYIESG-UHFFFAOYSA-N 0 2 393.244 2.572 20 5 GFBDLN CCc1nc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1C(=O)OC ZINC000441381112 563758958 /nfs/dbraw/zinc/75/89/58/563758958.db2.gz HINATRPOWNYUHB-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN CCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[nH]n1 ZINC000442807816 563780576 /nfs/dbraw/zinc/78/05/76/563780576.db2.gz FUXXNCXMUFOJOM-UHFFFAOYSA-N 0 2 389.231 2.834 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000416416240 563825676 /nfs/dbraw/zinc/82/56/76/563825676.db2.gz KMTKNHPRFNWHKX-UHFFFAOYSA-N 0 2 383.407 2.516 20 5 GFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000447784543 563886388 /nfs/dbraw/zinc/88/63/88/563886388.db2.gz ADBIRMBSJMAGIS-UHFFFAOYSA-N 0 2 378.284 2.842 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1[N+](=O)[O-] ZINC000481850198 564526117 /nfs/dbraw/zinc/52/61/17/564526117.db2.gz VCAFLVKJZOIMSJ-CYBMUJFWSA-N 0 2 386.817 2.932 20 5 GFBDLN COc1cncc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000556352882 564820973 /nfs/dbraw/zinc/82/09/73/564820973.db2.gz XMSQZAISZVARGJ-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc1 ZINC000610316445 566076781 /nfs/dbraw/zinc/07/67/81/566076781.db2.gz NZKSFZOZZBTMGH-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000611194079 566121093 /nfs/dbraw/zinc/12/10/93/566121093.db2.gz UVAICZMDXGDWSS-SNVBAGLBSA-N 0 2 383.451 2.963 20 5 GFBDLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])cc1 ZINC000737972057 599862813 /nfs/dbraw/zinc/86/28/13/599862813.db2.gz MFYQMPFBOZEZFH-INIZCTEOSA-N 0 2 393.783 2.611 20 5 GFBDLN CC(C)c1[nH+]c2c(n1C)CCN(c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000736524110 599968920 /nfs/dbraw/zinc/96/89/20/599968920.db2.gz IYCQYOUFTWBISL-UHFFFAOYSA-N 0 2 389.368 2.621 20 5 GFBDLN O=C([O-])NC[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000832521197 603465450 /nfs/dbraw/zinc/46/54/50/603465450.db2.gz LNLXBQUBSXCFSC-XJKSGUPXSA-N 0 2 388.380 2.764 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000825262659 604206097 /nfs/dbraw/zinc/20/60/97/604206097.db2.gz BREKVEUSOCMJFV-GHMZBOCLSA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000825262659 604206099 /nfs/dbraw/zinc/20/60/99/604206099.db2.gz BREKVEUSOCMJFV-GHMZBOCLSA-N 0 2 384.820 2.555 20 5 GFBDLN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000611478690 604992348 /nfs/dbraw/zinc/99/23/48/604992348.db2.gz UVKOTSNEDGTFLX-CQSZACIVSA-N 0 2 386.408 2.744 20 5 GFBDLN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CSCCS3)cc(-c3nn[nH]n3)c2c1 ZINC000823644255 606723615 /nfs/dbraw/zinc/72/36/15/606723615.db2.gz HYQPTJHLLCGKFK-SNVBAGLBSA-N 0 2 389.466 2.584 20 5 GFBDLN CC[C@H](NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(F)F ZINC000831729486 660723256 /nfs/dbraw/zinc/72/32/56/660723256.db2.gz VPTBBZFBFQGLFS-ZETCQYMHSA-N 0 2 391.165 2.818 20 5 GFBDLN O=c1[nH]nc([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3Br)C2)[nH]1 ZINC000839604818 661095181 /nfs/dbraw/zinc/09/51/81/661095181.db2.gz PFIXWDHXOPYDLP-SNVBAGLBSA-N 0 2 382.218 2.561 20 5 GFBDLN Cc1nccn1CCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289250037 655344906 /nfs/dbraw/zinc/34/49/06/655344906.db2.gz XEGTXEBXZOCLPJ-UHFFFAOYSA-N 0 2 393.252 2.775 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000742231616 655712701 /nfs/dbraw/zinc/71/27/01/655712701.db2.gz QAMVNUJWTHVRRY-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN CCc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000742300042 655714792 /nfs/dbraw/zinc/71/47/92/655714792.db2.gz UHKVATGOMGYDFY-UHFFFAOYSA-N 0 2 379.225 2.666 20 5 GFBDLN CCc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000742300042 655714793 /nfs/dbraw/zinc/71/47/93/655714793.db2.gz UHKVATGOMGYDFY-UHFFFAOYSA-N 0 2 379.225 2.666 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)ccc1Cl ZINC000775099572 656599285 /nfs/dbraw/zinc/59/92/85/656599285.db2.gz HLFRSARFKQJYKU-UHFFFAOYSA-N 0 2 386.695 2.537 20 5 GFBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)cc1[N+](=O)[O-] ZINC000777665955 656832165 /nfs/dbraw/zinc/83/21/65/656832165.db2.gz SGQNVJFXZMMUJJ-UHFFFAOYSA-N 0 2 386.411 2.647 20 5 GFBDLN O=C(NC[C@H](O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1O ZINC000800586920 659321159 /nfs/dbraw/zinc/32/11/59/659321159.db2.gz RMTJLKKBVYVURT-AWEZNQCLSA-N 0 2 381.182 2.526 20 5 GFBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000182411922 552283007 /nfs/dbraw/zinc/28/30/07/552283007.db2.gz BBZZPOQECGWKLW-UHFFFAOYSA-N 0 2 382.295 2.602 20 5 GFBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ncc(C2CCOCC2)s1 ZINC000296756454 563300197 /nfs/dbraw/zinc/30/01/97/563300197.db2.gz QEBMEKQECLMGRW-UHFFFAOYSA-N 0 2 387.414 2.885 20 5 GFBDLN COCc1nsc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000426513947 563452417 /nfs/dbraw/zinc/45/24/17/563452417.db2.gz BEWWJNHXEYHYDR-UHFFFAOYSA-N 0 2 377.348 2.557 20 5 GFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2cnc3c(c2)COCC3)cc1[N+](=O)[O-] ZINC000361974691 563702097 /nfs/dbraw/zinc/70/20/97/563702097.db2.gz OQSNZXTYRGONJA-UHFFFAOYSA-N 0 2 383.813 2.825 20 5 GFBDLN CCc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(C)n1 ZINC000414440602 563738029 /nfs/dbraw/zinc/73/80/29/563738029.db2.gz MWXMTGXEKSPABQ-UHFFFAOYSA-N 0 2 378.332 2.710 20 5 GFBDLN CC(C)c1nc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000539796488 564228796 /nfs/dbraw/zinc/22/87/96/564228796.db2.gz YARPBPORGHQGIJ-UHFFFAOYSA-N 0 2 391.203 2.665 20 5 GFBDLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000476873965 564356630 /nfs/dbraw/zinc/35/66/30/564356630.db2.gz PVJKJRNBWNSYOG-UHFFFAOYSA-N 0 2 382.448 2.706 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1[N+](=O)[O-] ZINC000481850199 564526145 /nfs/dbraw/zinc/52/61/45/564526145.db2.gz VCAFLVKJZOIMSJ-ZDUSSCGKSA-N 0 2 386.817 2.932 20 5 GFBDLN CC(=O)NCc1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000577110599 564725104 /nfs/dbraw/zinc/72/51/04/564725104.db2.gz RRCGDJIZZBGAFI-UHFFFAOYSA-N 0 2 383.451 2.710 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)c(F)c1 ZINC000555414186 564792753 /nfs/dbraw/zinc/79/27/53/564792753.db2.gz CTUHLAGZBRDRPZ-VIFPVBQESA-N 0 2 385.320 2.772 20 5 GFBDLN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463159886 564870569 /nfs/dbraw/zinc/87/05/69/564870569.db2.gz CTULWYNDDKGPDF-UHFFFAOYSA-N 0 2 382.167 2.673 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1Cl ZINC000463472306 564882895 /nfs/dbraw/zinc/88/28/95/564882895.db2.gz VDEIBMQRZASCPW-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN COc1cc(Cl)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1OC ZINC000560024008 564945791 /nfs/dbraw/zinc/94/57/91/564945791.db2.gz AVYDEUKDXJVLDV-UHFFFAOYSA-N 0 2 387.801 2.770 20 5 GFBDLN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Br)c1O ZINC000534848397 564997725 /nfs/dbraw/zinc/99/77/25/564997725.db2.gz KWXANCLNVNZZLM-UHFFFAOYSA-N 0 2 377.154 2.613 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000614290542 565105587 /nfs/dbraw/zinc/10/55/87/565105587.db2.gz COHQNNWPXCIXQM-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000737969321 599857944 /nfs/dbraw/zinc/85/79/44/599857944.db2.gz FPWHELMLHWIEPB-INIZCTEOSA-N 0 2 393.783 2.611 20 5 GFBDLN CNc1cc(N2CCC[C@@H]2CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])nc[nH+]1 ZINC000737561704 600214377 /nfs/dbraw/zinc/21/43/77/600214377.db2.gz JCWVGFAUHOIEJF-HZRUHFOJSA-N 0 2 398.423 2.605 20 5 GFBDLN CNc1cc(N2CCC[C@@H]2CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[nH+]cn1 ZINC000737561704 600214379 /nfs/dbraw/zinc/21/43/79/600214379.db2.gz JCWVGFAUHOIEJF-HZRUHFOJSA-N 0 2 398.423 2.605 20 5 GFBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823725238 604229657 /nfs/dbraw/zinc/22/96/57/604229657.db2.gz YUJLGBABEVZTQS-CYBMUJFWSA-N 0 2 390.440 2.776 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000830402917 604981448 /nfs/dbraw/zinc/98/14/48/604981448.db2.gz DNOGCBFOTZFZDZ-CQSZACIVSA-N 0 2 391.453 2.906 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000830402917 604981452 /nfs/dbraw/zinc/98/14/52/604981452.db2.gz DNOGCBFOTZFZDZ-CQSZACIVSA-N 0 2 391.453 2.906 20 5 GFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3ccccc3c2)c1-c1nn[nH]n1 ZINC000823647112 607154148 /nfs/dbraw/zinc/15/41/48/607154148.db2.gz GCKUAGYZJBFHSK-UHFFFAOYSA-N 0 2 396.388 2.729 20 5 GFBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826293234 609524427 /nfs/dbraw/zinc/52/44/27/609524427.db2.gz HEVZBAZNHIQDLU-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000830841768 660682963 /nfs/dbraw/zinc/68/29/63/660682963.db2.gz UZGGJOSCBDCDEF-CYBMUJFWSA-N 0 2 379.722 2.531 20 5 GFBDLN Cc1cnc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])s1 ZINC000038039607 654616955 /nfs/dbraw/zinc/61/69/55/654616955.db2.gz LKGXOBMURXNVJE-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000152868132 655062522 /nfs/dbraw/zinc/06/25/22/655062522.db2.gz JAGTYMPDNVWHSO-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778556733 656884157 /nfs/dbraw/zinc/88/41/57/656884157.db2.gz PDBXNRYWEVTIRI-UHFFFAOYSA-N 0 2 388.785 2.991 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000795637851 658838585 /nfs/dbraw/zinc/83/85/85/658838585.db2.gz WOQSDFYIZOJIGD-UHFFFAOYSA-N 0 2 383.329 2.880 20 5 GFBDLN O=C(OCc1cscn1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801384844 659392534 /nfs/dbraw/zinc/39/25/34/659392534.db2.gz JSAYCUVMUAISQS-UHFFFAOYSA-N 0 2 380.769 2.953 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c1C ZINC000121187152 551229267 /nfs/dbraw/zinc/22/92/67/551229267.db2.gz OONQUGMNJBDKAR-UHFFFAOYSA-N 0 2 382.345 2.883 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2ccc(Br)cn2)ccc1[N+](=O)[O-] ZINC000121323107 551232195 /nfs/dbraw/zinc/23/21/95/551232195.db2.gz OWZMIJJPQCYYKO-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN CC(C)n1nccc1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000121575921 551237298 /nfs/dbraw/zinc/23/72/98/551237298.db2.gz QQXLITFOPCBOKN-UHFFFAOYSA-N 0 2 389.231 2.936 20 5 GFBDLN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC(F)(F)C(F)F ZINC000192136921 552552996 /nfs/dbraw/zinc/55/29/96/552552996.db2.gz RJJXAEHNJWXNOO-UHFFFAOYSA-N 0 2 395.128 2.536 20 5 GFBDLN CCn1nccc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000281973897 563392431 /nfs/dbraw/zinc/39/24/31/563392431.db2.gz LXHJHWJZYMIOQU-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cncc(Br)c1 ZINC000314773101 563439826 /nfs/dbraw/zinc/43/98/26/563439826.db2.gz AOFRTJSAGRZSBF-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN Cc1nn(C)cc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000288155477 563631266 /nfs/dbraw/zinc/63/12/66/563631266.db2.gz HEHCETAHWZVLFK-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2cccc3c2ccn(C)c3=O)cc1[N+](=O)[O-] ZINC000443533708 563808249 /nfs/dbraw/zinc/80/82/49/563808249.db2.gz WPDAJUBVEXSZRV-UHFFFAOYSA-N 0 2 379.419 2.617 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000416944682 563863445 /nfs/dbraw/zinc/86/34/45/563863445.db2.gz DJEXUELYWRRKEJ-UHFFFAOYSA-N 0 2 383.407 2.516 20 5 GFBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000475794506 564320205 /nfs/dbraw/zinc/32/02/05/564320205.db2.gz VAXOLTBSNLBCGE-UHFFFAOYSA-N 0 2 388.760 2.959 20 5 GFBDLN Cc1noc(C(C)(C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000551482310 564651538 /nfs/dbraw/zinc/65/15/38/564651538.db2.gz JCXYWSYTVDEMDJ-UHFFFAOYSA-N 0 2 395.224 2.807 20 5 GFBDLN COc1cc(CCNc2nc(C(F)(F)F)ns2)c([N+](=O)[O-])cc1OC ZINC000557473277 564864209 /nfs/dbraw/zinc/86/42/09/564864209.db2.gz MPGSZQANQPYSKN-UHFFFAOYSA-N 0 2 378.332 2.559 20 5 GFBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1NC(C)=O ZINC000466968967 564952037 /nfs/dbraw/zinc/95/20/37/564952037.db2.gz IPZOPBXDDDXJBJ-UHFFFAOYSA-N 0 2 385.423 2.733 20 5 GFBDLN NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000505043587 565048129 /nfs/dbraw/zinc/04/81/29/565048129.db2.gz FFNVBEQLDRHVBK-UHFFFAOYSA-N 0 2 390.204 2.801 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2cccs2)o1 ZINC000619507687 565346376 /nfs/dbraw/zinc/34/63/76/565346376.db2.gz CEWFJJOQTNKZTO-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595382860 565471870 /nfs/dbraw/zinc/47/18/70/565471870.db2.gz JSMGHCAYRIXGEK-ZETCQYMHSA-N 0 2 379.225 2.675 20 5 GFBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1-c1nn[nH]n1 ZINC000822128678 607255431 /nfs/dbraw/zinc/25/54/31/607255431.db2.gz FJSCUGQAZXAYCC-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262024658 601900385 /nfs/dbraw/zinc/90/03/85/601900385.db2.gz ABMNIOQBFUDFHH-LSDHHAIUSA-N 0 2 386.408 2.934 20 5 GFBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000830432744 604235971 /nfs/dbraw/zinc/23/59/71/604235971.db2.gz KBJKLWDZPZXJTF-UHFFFAOYSA-N 0 2 390.440 2.696 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n(-c2cc(C)ccn2)n1 ZINC000783857669 657265320 /nfs/dbraw/zinc/26/53/20/657265320.db2.gz AIORHTBMRDKZOR-UHFFFAOYSA-N 0 2 379.423 2.655 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCSC(F)(F)F)c1 ZINC000798225801 659085239 /nfs/dbraw/zinc/08/52/39/659085239.db2.gz MANTWHBVNKBLIA-UHFFFAOYSA-N 0 2 382.744 2.919 20 5 GFBDLN O=C(NC[C@@H](O)c1cccc(Br)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000803401256 659576678 /nfs/dbraw/zinc/57/66/78/659576678.db2.gz UQFDGESVIPCOPF-CQSZACIVSA-N 0 2 381.182 2.526 20 5 GFBDLN C[C@@H](NC(=O)Cc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccc(Cl)cc1Cl ZINC000842500199 661342356 /nfs/dbraw/zinc/34/23/56/661342356.db2.gz ZSPJTNIVTJBAPH-NYRNMGCKSA-N 0 2 385.207 2.929 20 5 GFBDLN COCc1csc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000115928366 551210607 /nfs/dbraw/zinc/21/06/07/551210607.db2.gz NIJYMUUIANXQDI-UHFFFAOYSA-N 0 2 377.831 2.960 20 5 GFBDLN CNC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C ZINC000131267014 551373277 /nfs/dbraw/zinc/37/32/77/551373277.db2.gz DJNFPYDDLQIHQB-UHFFFAOYSA-N 0 2 383.813 2.717 20 5 GFBDLN O=[N+]([O-])c1cc(NS(=O)(=O)C[C@H]2CCCCO2)ccc1Br ZINC000180350188 552223574 /nfs/dbraw/zinc/22/35/74/552223574.db2.gz QGJQEWVBBRBZBU-SNVBAGLBSA-N 0 2 379.232 2.668 20 5 GFBDLN CC(C)n1ccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000280900848 563360132 /nfs/dbraw/zinc/36/01/32/563360132.db2.gz FUBQNMXBQPXISM-UHFFFAOYSA-N 0 2 389.231 2.936 20 5 GFBDLN Cc1nc([C@](C)(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C2CC2)no1 ZINC000432299163 563579873 /nfs/dbraw/zinc/57/98/73/563579873.db2.gz OXSUHQBYFHIWPB-CQSZACIVSA-N 0 2 386.817 2.543 20 5 GFBDLN CCc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)sc1C(=O)OC ZINC000441375314 563759303 /nfs/dbraw/zinc/75/93/03/563759303.db2.gz HVPMIAIBAGDEQY-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)c([N+](=O)[O-])c1 ZINC000471496507 564195829 /nfs/dbraw/zinc/19/58/29/564195829.db2.gz POSNCUXWIVUOCV-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000477399561 564375970 /nfs/dbraw/zinc/37/59/70/564375970.db2.gz BFGWFLAVAJOKCV-UHFFFAOYSA-N 0 2 384.797 2.765 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)ccc1[N+](=O)[O-] ZINC000479995454 564456725 /nfs/dbraw/zinc/45/67/25/564456725.db2.gz OBUIUEDCRGRZAA-UHFFFAOYSA-N 0 2 382.345 2.660 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1 ZINC000467766150 564971975 /nfs/dbraw/zinc/97/19/75/564971975.db2.gz DOEUUUYYHJEKIN-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN Cc1ncc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cn1 ZINC000610335622 566079117 /nfs/dbraw/zinc/07/91/17/566079117.db2.gz PKAUHZWASMJRIM-UHFFFAOYSA-N 0 2 387.215 2.565 20 5 GFBDLN CC[C@]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736918612 600129063 /nfs/dbraw/zinc/12/90/63/600129063.db2.gz VHBXLONOINLELQ-LJQANCHMSA-N 0 2 387.392 2.522 20 5 GFBDLN CCC1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)(C(=O)[O-])CC1 ZINC000538505778 601274097 /nfs/dbraw/zinc/27/40/97/601274097.db2.gz NTAZBMGLLPZVQC-UHFFFAOYSA-N 0 2 386.408 2.934 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000830403630 602198324 /nfs/dbraw/zinc/19/83/24/602198324.db2.gz SAYCWFZMLAXWFE-BXUZGUMPSA-N 0 2 391.453 2.619 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000830403630 602198326 /nfs/dbraw/zinc/19/83/26/602198326.db2.gz SAYCWFZMLAXWFE-BXUZGUMPSA-N 0 2 391.453 2.619 20 5 GFBDLN O=C([O-])c1cc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccn3)CC2)cc1Cl ZINC000833306869 602250877 /nfs/dbraw/zinc/25/08/77/602250877.db2.gz FFBXOHKZMRBAAO-UHFFFAOYSA-N 0 2 376.800 2.664 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C)c(C(=O)OC)s1 ZINC000066250337 654898312 /nfs/dbraw/zinc/89/83/12/654898312.db2.gz FZLVBPVUUYBALJ-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000174040979 655190426 /nfs/dbraw/zinc/19/04/26/655190426.db2.gz MSDPVOQXMZCDRN-QMMMGPOBSA-N 0 2 388.833 2.968 20 5 GFBDLN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120013959 655324854 /nfs/dbraw/zinc/32/48/54/655324854.db2.gz SGVPCAGHZNDGKZ-UHFFFAOYSA-N 0 2 379.423 2.736 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)nc2)c(Br)c1 ZINC000746599320 655764588 /nfs/dbraw/zinc/76/45/88/655764588.db2.gz VFCYPSXNJMNINJ-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN O=C(CN1C(=S)N=NC1c1cccs1)Nc1cc([N+](=O)[O-])ccc1O ZINC000770864661 656332652 /nfs/dbraw/zinc/33/26/52/656332652.db2.gz ZOHXQXANHVSVEO-UHFFFAOYSA-N 0 2 377.407 2.548 20 5 GFBDLN CCN1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795829405 658855794 /nfs/dbraw/zinc/85/57/94/658855794.db2.gz PKKVSFPCYSFNLH-JTQLQIEISA-N 0 2 379.841 2.540 20 5 GFBDLN COC[C@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccco1 ZINC000809824218 659943988 /nfs/dbraw/zinc/94/39/88/659943988.db2.gz LFMRKUIZXNZBTB-JTQLQIEISA-N 0 2 378.765 2.646 20 5 GFBDLN COc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCCC1=O ZINC000005329381 204125762 /nfs/dbraw/zinc/12/57/62/204125762.db2.gz HYKRBKUFBJLGPI-UHFFFAOYSA-N 0 2 391.405 2.531 20 5 GFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000031669567 551130375 /nfs/dbraw/zinc/13/03/75/551130375.db2.gz WSJQXWYGLMWDIO-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1C ZINC000121182203 551229201 /nfs/dbraw/zinc/22/92/01/551229201.db2.gz ULDKWOAAWOMFFQ-UHFFFAOYSA-N 0 2 382.345 2.883 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccnc1-n1cccn1 ZINC000127265723 551339370 /nfs/dbraw/zinc/33/93/70/551339370.db2.gz AAXGCYZGEDGOKH-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160238496 551577858 /nfs/dbraw/zinc/57/78/58/551577858.db2.gz UZDKANQRLLCWJU-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)cc1C ZINC000185656177 552368201 /nfs/dbraw/zinc/36/82/01/552368201.db2.gz BJLSEAOWHAFLNJ-XMMPIXPASA-N 0 2 382.463 2.891 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)ccc1Cl ZINC000280192516 563326653 /nfs/dbraw/zinc/32/66/53/563326653.db2.gz DGJPAJLHSPSJHJ-SECBINFHSA-N 0 2 386.817 2.666 20 5 GFBDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000298847005 563368231 /nfs/dbraw/zinc/36/82/31/563368231.db2.gz JHLQJXYOKOBQTE-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000330520552 563508901 /nfs/dbraw/zinc/50/89/01/563508901.db2.gz NSYUSROFHDHBDQ-LBPRGKRZSA-N 0 2 379.232 2.668 20 5 GFBDLN NC(=O)Nc1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1F ZINC000431153512 563555156 /nfs/dbraw/zinc/55/51/56/563555156.db2.gz QZLRJJNXSSTZHB-UHFFFAOYSA-N 0 2 388.764 2.679 20 5 GFBDLN CCc1n[nH]c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1C ZINC000438249264 563703442 /nfs/dbraw/zinc/70/34/42/563703442.db2.gz BZSXVPOSNGFFDW-UHFFFAOYSA-N 0 2 389.231 2.752 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000442106539 563768146 /nfs/dbraw/zinc/76/81/46/563768146.db2.gz JKIIEMHSOPOYNK-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN COC(=O)c1ncc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1Cl ZINC000508066538 564251507 /nfs/dbraw/zinc/25/15/07/564251507.db2.gz CMDVBSWDZHQYRS-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2C)cc1[N+](=O)[O-] ZINC000451068798 564269805 /nfs/dbraw/zinc/26/98/05/564269805.db2.gz JDGJTULHRJEORB-UHFFFAOYSA-N 0 2 386.455 2.622 20 5 GFBDLN O=C(NCCOc1cccc(Br)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508688292 564270362 /nfs/dbraw/zinc/27/03/62/564270362.db2.gz HQZDOEJHVYXNDC-UHFFFAOYSA-N 0 2 381.182 2.872 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000565277227 564273946 /nfs/dbraw/zinc/27/39/46/564273946.db2.gz VUTLKBSBVVEDQC-UHFFFAOYSA-N 0 2 388.192 2.745 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccccc2)ns1 ZINC000476940941 564360088 /nfs/dbraw/zinc/36/00/88/564360088.db2.gz UBCXJUWCVHYGKS-UHFFFAOYSA-N 0 2 396.837 2.989 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000461112471 564789919 /nfs/dbraw/zinc/78/99/19/564789919.db2.gz NNGFTZPRMDEWLW-UHFFFAOYSA-N 0 2 381.719 2.885 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1[N+](=O)[O-] ZINC000466958067 564950806 /nfs/dbraw/zinc/95/08/06/564950806.db2.gz QLDLGYADINGWGX-UHFFFAOYSA-N 0 2 385.448 2.810 20 5 GFBDLN CCc1ccc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000592353433 565271688 /nfs/dbraw/zinc/27/16/88/565271688.db2.gz UTAYCEMQLBDTAC-UHFFFAOYSA-N 0 2 378.332 2.710 20 5 GFBDLN CNc1cc(N2CCC[C@H]2CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)nc[nH+]1 ZINC000568395336 602316630 /nfs/dbraw/zinc/31/66/30/602316630.db2.gz GAHWDIZREZMHKP-ZDUSSCGKSA-N 0 2 386.412 2.514 20 5 GFBDLN CNc1cc(N2CCC[C@H]2CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)[nH+]cn1 ZINC000568395336 602316634 /nfs/dbraw/zinc/31/66/34/602316634.db2.gz GAHWDIZREZMHKP-ZDUSSCGKSA-N 0 2 386.412 2.514 20 5 GFBDLN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120229439 655331999 /nfs/dbraw/zinc/33/19/99/655331999.db2.gz AZUWGBGOOSPOON-UHFFFAOYSA-N 0 2 377.350 2.694 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)ccc1Br ZINC000121391397 655349638 /nfs/dbraw/zinc/34/96/38/655349638.db2.gz KPZQGQXYTMXRPF-UHFFFAOYSA-N 0 2 399.226 2.826 20 5 GFBDLN Cc1cc(C)[nH]c(=NNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000743249126 655727292 /nfs/dbraw/zinc/72/72/92/655727292.db2.gz IWRDFYHDBIDJKN-UHFFFAOYSA-N 0 2 392.224 2.614 20 5 GFBDLN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000775156852 656604876 /nfs/dbraw/zinc/60/48/76/656604876.db2.gz HTGZNGNDMZAWIQ-HQJQHLMTSA-N 0 2 385.320 2.758 20 5 GFBDLN Cc1cnc(Br)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000775213484 656617128 /nfs/dbraw/zinc/61/71/28/656617128.db2.gz XWXILPQKYXWHKQ-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN Cc1nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)cn2n1 ZINC000797430601 659020791 /nfs/dbraw/zinc/02/07/91/659020791.db2.gz MZUAEMWHCXLAGV-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN O=C1Cc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)ccc2N1 ZINC000798248000 659089331 /nfs/dbraw/zinc/08/93/31/659089331.db2.gz LABSRMGWZLHIGQ-UHFFFAOYSA-N 0 2 385.760 2.683 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000126311900 551328010 /nfs/dbraw/zinc/32/80/10/551328010.db2.gz HEMFYYUDVAUEEH-UHFFFAOYSA-N 0 2 397.825 2.963 20 5 GFBDLN O=C1CCc2cc(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2N1 ZINC000131260827 551373310 /nfs/dbraw/zinc/37/33/10/551373310.db2.gz HYBDEEXIYCNCCP-UHFFFAOYSA-N 0 2 381.797 2.934 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)c1C ZINC000163638679 551621171 /nfs/dbraw/zinc/62/11/71/551621171.db2.gz FBOOIWMCUSXICM-DEOSSOPVSA-N 0 2 382.463 2.891 20 5 GFBDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000170994032 551644386 /nfs/dbraw/zinc/64/43/86/551644386.db2.gz SSSDMWGCYMXSFH-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccncc2)ns1 ZINC000182560082 552287198 /nfs/dbraw/zinc/28/71/98/552287198.db2.gz OHQPEGMKGQUCAF-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN CCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)cn1 ZINC000187263222 552411120 /nfs/dbraw/zinc/41/11/20/552411120.db2.gz VTDDWUAYQFRJBG-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c([N+](=O)[O-])c1 ZINC000375715577 563415269 /nfs/dbraw/zinc/41/52/69/563415269.db2.gz XJLMYFITAPYVPK-UHFFFAOYSA-N 0 2 387.464 2.650 20 5 GFBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(C2CCOCC2)cs1 ZINC000285126971 563504401 /nfs/dbraw/zinc/50/44/01/563504401.db2.gz POTHGYYDMCHIIQ-UHFFFAOYSA-N 0 2 387.414 2.885 20 5 GFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1O ZINC000442841267 563781272 /nfs/dbraw/zinc/78/12/72/563781272.db2.gz NXOWMIVZIQGUBG-UHFFFAOYSA-N 0 2 378.284 3.000 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1CC(F)(F)F ZINC000416959340 563864259 /nfs/dbraw/zinc/86/42/59/563864259.db2.gz PZVMTLIOWYEZKU-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)oc1C ZINC000481961083 564529947 /nfs/dbraw/zinc/52/99/47/564529947.db2.gz LKGPOMXDEDCMIZ-UHFFFAOYSA-N 0 2 376.188 2.763 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)c1 ZINC000468775554 564993812 /nfs/dbraw/zinc/99/38/12/564993812.db2.gz AXSBTZVEYRRMPN-UHFFFAOYSA-N 0 2 376.316 2.821 20 5 GFBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)nc1 ZINC000584398874 565079122 /nfs/dbraw/zinc/07/91/22/565079122.db2.gz ZZUDLJFEYILZDT-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[NH+](Cc2cccs2)CC1 ZINC000592747394 565291426 /nfs/dbraw/zinc/29/14/26/565291426.db2.gz XJMCSNFANKYURL-UHFFFAOYSA-N 0 2 381.841 2.973 20 5 GFBDLN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000600226424 565719060 /nfs/dbraw/zinc/71/90/60/565719060.db2.gz AYZBMXLTNNJRPO-MRVPVSSYSA-N 0 2 382.829 2.979 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1-n1ccnn1 ZINC000604113936 565922935 /nfs/dbraw/zinc/92/29/35/565922935.db2.gz KQUBNYOVXLHDHX-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN CNc1cc(N2CCC[C@@H]2CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])nc[nH+]1 ZINC000737561698 600214410 /nfs/dbraw/zinc/21/44/10/600214410.db2.gz JCWVGFAUHOIEJF-BRLPQQTGSA-N 0 2 398.423 2.605 20 5 GFBDLN CNc1cc(N2CCC[C@@H]2CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[nH+]cn1 ZINC000737561698 600214411 /nfs/dbraw/zinc/21/44/11/600214411.db2.gz JCWVGFAUHOIEJF-BRLPQQTGSA-N 0 2 398.423 2.605 20 5 GFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736216415 600290805 /nfs/dbraw/zinc/29/08/05/600290805.db2.gz QGSQANHNUIBASG-ZYHUDNBSSA-N 0 2 381.816 2.762 20 5 GFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736216405 600291104 /nfs/dbraw/zinc/29/11/04/600291104.db2.gz QGSQANHNUIBASG-JQWIXIFHSA-N 0 2 381.816 2.762 20 5 GFBDLN O=C([O-])NC[C@H]1CCCC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000832521196 603465382 /nfs/dbraw/zinc/46/53/82/603465382.db2.gz LNLXBQUBSXCFSC-CZUORRHYSA-N 0 2 388.380 2.764 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826272290 608540132 /nfs/dbraw/zinc/54/01/32/608540132.db2.gz CFBJKXUEGRSKHV-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN Cc1noc([C@@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1 ZINC000830326697 660648770 /nfs/dbraw/zinc/64/87/70/660648770.db2.gz BHKNUKVOHJSWPF-RXMQYKEDSA-N 0 2 381.197 2.633 20 5 GFBDLN CNC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055580809 654777893 /nfs/dbraw/zinc/77/78/93/654777893.db2.gz VLZHCINMQFHXMN-UHFFFAOYSA-N 0 2 384.801 2.800 20 5 GFBDLN CN(C)Cc1csc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000170548690 655144304 /nfs/dbraw/zinc/14/43/04/655144304.db2.gz DYZHUIYDVZXERU-UHFFFAOYSA-N 0 2 376.847 2.567 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000116710813 655251773 /nfs/dbraw/zinc/25/17/73/655251773.db2.gz NJNRSPGUCZVQHU-UHFFFAOYSA-N 0 2 380.760 2.819 20 5 GFBDLN Cc1cc(C(=O)NC(C)C)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120208165 655331201 /nfs/dbraw/zinc/33/12/01/655331201.db2.gz UBNZLRYVYOHZPW-UHFFFAOYSA-N 0 2 383.451 2.904 20 5 GFBDLN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120209175 655331237 /nfs/dbraw/zinc/33/12/37/655331237.db2.gz RBTAXVBHMNBRHV-SNVBAGLBSA-N 0 2 383.451 2.985 20 5 GFBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000761895862 656023812 /nfs/dbraw/zinc/02/38/12/656023812.db2.gz ZCROBIPXJAKBNY-UHFFFAOYSA-N 0 2 387.801 2.781 20 5 GFBDLN COC(=O)c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000769619997 656282370 /nfs/dbraw/zinc/28/23/70/656282370.db2.gz IUKZQAXYRRDBJC-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)c1 ZINC000775100096 656599181 /nfs/dbraw/zinc/59/91/81/656599181.db2.gz MVBVIVYUSXWDOR-UHFFFAOYSA-N 0 2 380.304 2.500 20 5 GFBDLN COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(C)o1 ZINC000795867517 658864106 /nfs/dbraw/zinc/86/41/06/658864106.db2.gz NATZKJINXQIHIY-NSHDSACASA-N 0 2 392.792 2.955 20 5 GFBDLN CC(C)N1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795928311 658873630 /nfs/dbraw/zinc/87/36/30/658873630.db2.gz LNNZMNVFVNZOKC-SNVBAGLBSA-N 0 2 379.841 2.538 20 5 GFBDLN COCCCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC000130668056 551367681 /nfs/dbraw/zinc/36/76/81/551367681.db2.gz SFAWPDAUXKXJDV-UHFFFAOYSA-N 0 2 388.833 2.590 20 5 GFBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000153624225 551457084 /nfs/dbraw/zinc/45/70/84/551457084.db2.gz CUIBVJMILSIHLT-UHFFFAOYSA-N 0 2 391.203 2.665 20 5 GFBDLN Cc1nc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000165237640 551629077 /nfs/dbraw/zinc/62/90/77/551629077.db2.gz MSWRGWVOKSWCQE-UHFFFAOYSA-N 0 2 377.300 2.998 20 5 GFBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000185960420 552375763 /nfs/dbraw/zinc/37/57/63/552375763.db2.gz IXIBSVDEOFCPKB-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1 ZINC000328152635 563461025 /nfs/dbraw/zinc/46/10/25/563461025.db2.gz GIBYQGJFHBURAT-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN Cc1cc(=O)n(C)cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000432188979 563576362 /nfs/dbraw/zinc/57/63/62/563576362.db2.gz ZPDIVDNGPIEAMP-UHFFFAOYSA-N 0 2 392.220 2.710 20 5 GFBDLN Cc1cc(I)cnc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000440681632 563747400 /nfs/dbraw/zinc/74/74/00/563747400.db2.gz UHKNZVQJUSFRIM-UHFFFAOYSA-N 0 2 399.144 2.861 20 5 GFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(n2cc(Br)cn2)CC1 ZINC000364387245 563751938 /nfs/dbraw/zinc/75/19/38/563751938.db2.gz HMUPCGPIGUIJKW-UHFFFAOYSA-N 0 2 395.213 2.737 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nn1CC(F)(F)F ZINC000416960484 563864190 /nfs/dbraw/zinc/86/41/90/563864190.db2.gz RKPAARCPFJDXBF-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN CCOc1ccc(NS(=O)(=O)c2csc(C(=O)OC)c2)c([N+](=O)[O-])c1 ZINC000540696362 564255070 /nfs/dbraw/zinc/25/50/70/564255070.db2.gz MRJFURTYQDKIPZ-UHFFFAOYSA-N 0 2 386.407 2.642 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000451054663 564267877 /nfs/dbraw/zinc/26/78/77/564267877.db2.gz JHHCNHPFVWWAAB-UHFFFAOYSA-N 0 2 397.356 2.966 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2cccs2)o1 ZINC000476448345 564339699 /nfs/dbraw/zinc/33/96/99/564339699.db2.gz QPPDNFYRUXDKIC-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN CNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000491066955 564785199 /nfs/dbraw/zinc/78/51/99/564785199.db2.gz PJNFDDLRJFAQQD-UHFFFAOYSA-N 0 2 384.801 2.800 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2c(F)cccc2Cl)cc([N+](=O)[O-])c1 ZINC000463784571 564889666 /nfs/dbraw/zinc/88/96/66/564889666.db2.gz CKFJPTJUEXLVEB-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560010587 564944945 /nfs/dbraw/zinc/94/49/45/564944945.db2.gz NCZYJTNRVQWIPJ-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN O=C([O-])CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739716098 600328363 /nfs/dbraw/zinc/32/83/63/600328363.db2.gz CBBXEEOWIUBVSN-UHFFFAOYSA-N 0 2 393.346 2.788 20 5 GFBDLN O=C([O-])CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739716098 600328366 /nfs/dbraw/zinc/32/83/66/600328366.db2.gz CBBXEEOWIUBVSN-UHFFFAOYSA-N 0 2 393.346 2.788 20 5 GFBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823711401 604229603 /nfs/dbraw/zinc/22/96/03/604229603.db2.gz BRFFLFMPLAJVOH-ZDUSSCGKSA-N 0 2 390.440 2.776 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825264377 604237769 /nfs/dbraw/zinc/23/77/69/604237769.db2.gz KCFWWISHZCZPDM-QWRGUYRKSA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825264377 604237771 /nfs/dbraw/zinc/23/77/71/604237771.db2.gz KCFWWISHZCZPDM-QWRGUYRKSA-N 0 2 384.820 2.555 20 5 GFBDLN O=C([O-])CCC[N@@H+](Cc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000833226766 604765542 /nfs/dbraw/zinc/76/55/42/604765542.db2.gz FGAARRNKBCXBCK-UHFFFAOYSA-N 0 2 397.387 2.515 20 5 GFBDLN O=C([O-])CCC[N@H+](Cc1ccccc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000833226766 604765543 /nfs/dbraw/zinc/76/55/43/604765543.db2.gz FGAARRNKBCXBCK-UHFFFAOYSA-N 0 2 397.387 2.515 20 5 GFBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833827332 605889172 /nfs/dbraw/zinc/88/91/72/605889172.db2.gz AUAXDIUCNQZTNX-GMTAPVOTSA-N 0 2 384.820 2.553 20 5 GFBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833827332 605889173 /nfs/dbraw/zinc/88/91/73/605889173.db2.gz AUAXDIUCNQZTNX-GMTAPVOTSA-N 0 2 384.820 2.553 20 5 GFBDLN CCCCc1nnc(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1 ZINC000829847835 660617122 /nfs/dbraw/zinc/61/71/22/660617122.db2.gz MAVUOQQZFFQBNX-UHFFFAOYSA-N 0 2 378.769 2.914 20 5 GFBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000830821549 660681939 /nfs/dbraw/zinc/68/19/39/660681939.db2.gz KFBPJMHFBXUTOH-CYBMUJFWSA-N 0 2 379.722 2.531 20 5 GFBDLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120117623 655328300 /nfs/dbraw/zinc/32/83/00/655328300.db2.gz BZESIAIQEXSTEI-UHFFFAOYSA-N 0 2 383.451 2.939 20 5 GFBDLN CO[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000742297473 655714394 /nfs/dbraw/zinc/71/43/94/655714394.db2.gz UOMDZBXWOHZWCL-QMMMGPOBSA-N 0 2 397.158 2.757 20 5 GFBDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000768509157 656240625 /nfs/dbraw/zinc/24/06/25/656240625.db2.gz QODHRJJGVOOFEY-UHFFFAOYSA-N 0 2 375.815 2.518 20 5 GFBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2sc(C)nc2C)cc1[N+](=O)[O-] ZINC000777637798 656830713 /nfs/dbraw/zinc/83/07/13/656830713.db2.gz KTNSPMYHRIUPRX-UHFFFAOYSA-N 0 2 386.411 2.647 20 5 GFBDLN Cn1c(Cl)ncc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000790084613 657926544 /nfs/dbraw/zinc/92/65/44/657926544.db2.gz BXGPDRADFOWUKN-UHFFFAOYSA-N 0 2 395.622 2.545 20 5 GFBDLN NC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 ZINC000791433201 658098284 /nfs/dbraw/zinc/09/82/84/658098284.db2.gz RZQDFSYSOAWAEA-UHFFFAOYSA-N 0 2 390.204 2.801 20 5 GFBDLN COC(=O)c1c(F)cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000800844910 659339225 /nfs/dbraw/zinc/33/92/25/659339225.db2.gz QVJGOTLDPCMDPV-UHFFFAOYSA-N 0 2 378.334 2.522 20 5 GFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc3c2CNC3=O)cc1[N+](=O)[O-] ZINC000808114313 659877700 /nfs/dbraw/zinc/87/77/00/659877700.db2.gz RLMRPYGSSBMUIM-UHFFFAOYSA-N 0 2 381.797 2.601 20 5 GFBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC000847117162 661576891 /nfs/dbraw/zinc/57/68/91/661576891.db2.gz DVUWKHZXASIBLN-VXNVDRBHSA-N 0 2 395.131 2.859 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(-n2nccn2)cc1 ZINC000917738428 664489658 /nfs/dbraw/zinc/48/96/58/664489658.db2.gz DDZLTADETPQUIR-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN CCCc1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[nH]n1 ZINC000126417562 551329885 /nfs/dbraw/zinc/32/98/85/551329885.db2.gz DGRFKWZSZYXGRK-UHFFFAOYSA-N 0 2 389.231 2.834 20 5 GFBDLN COc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000161593233 551596643 /nfs/dbraw/zinc/59/66/43/551596643.db2.gz VRLLLVRLEPHSBY-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN CCN1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2C1 ZINC000172192623 551672987 /nfs/dbraw/zinc/67/29/87/551672987.db2.gz LGWXWUWXVXMPHP-UHFFFAOYSA-N 0 2 382.467 2.539 20 5 GFBDLN O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436678716 563676971 /nfs/dbraw/zinc/67/69/71/563676971.db2.gz HMZVKGQAGUOMRG-CYBMUJFWSA-N 0 2 381.182 2.526 20 5 GFBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1C(F)(F)F ZINC000437945413 563700888 /nfs/dbraw/zinc/70/08/88/563700888.db2.gz DQLSHJZIXGUGHD-UHFFFAOYSA-N 0 2 376.316 2.557 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2O)cc1 ZINC000442834970 563781266 /nfs/dbraw/zinc/78/12/66/563781266.db2.gz BXKQHEKMMNEJNU-UHFFFAOYSA-N 0 2 378.284 3.000 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000447011752 563872770 /nfs/dbraw/zinc/87/27/70/563872770.db2.gz WMXIDVQQAVVYIE-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)c1C ZINC000563847779 564209965 /nfs/dbraw/zinc/20/99/65/564209965.db2.gz UCWKTRWAUCGDLE-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN CCn1cc(S(=O)(=O)N[C@H](C2CCCCC2)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000543170494 564341821 /nfs/dbraw/zinc/34/18/21/564341821.db2.gz GZYPDSHUMAIWFV-LLVKDONJSA-N 0 2 384.380 2.601 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)c(Cl)c1 ZINC000583472958 564893178 /nfs/dbraw/zinc/89/31/78/564893178.db2.gz NBYQHOARIRQYHQ-UHFFFAOYSA-N 0 2 388.192 2.745 20 5 GFBDLN COC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000469039038 565003470 /nfs/dbraw/zinc/00/34/70/565003470.db2.gz TWRQVJFFGYRVQD-LBPRGKRZSA-N 0 2 390.826 2.502 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccnc1C(F)(F)F ZINC000588949463 565145072 /nfs/dbraw/zinc/14/50/72/565145072.db2.gz BLPSRTAAUNOOPB-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598715192 565637488 /nfs/dbraw/zinc/63/74/88/565637488.db2.gz XGDCIWCCYMNAAH-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2C)c(C)c1[N+](=O)[O-] ZINC000598735338 565638426 /nfs/dbraw/zinc/63/84/26/565638426.db2.gz OFVJDFBMFMTPGL-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN COC(=O)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000611443738 566130090 /nfs/dbraw/zinc/13/00/90/566130090.db2.gz SWBPZCOSYYPMFV-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000739688740 602496833 /nfs/dbraw/zinc/49/68/33/602496833.db2.gz REFINFZVTNUXCL-UHFFFAOYSA-N 0 2 392.459 2.756 20 5 GFBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738627613 602538223 /nfs/dbraw/zinc/53/82/23/602538223.db2.gz ABMBFHLRHGVREB-GHMZBOCLSA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738627613 602538224 /nfs/dbraw/zinc/53/82/24/602538224.db2.gz ABMBFHLRHGVREB-GHMZBOCLSA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000833816503 605677009 /nfs/dbraw/zinc/67/70/09/605677009.db2.gz DHSIAOCLPTYBOL-PXAZEXFGSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000833816503 605677011 /nfs/dbraw/zinc/67/70/11/605677011.db2.gz DHSIAOCLPTYBOL-PXAZEXFGSA-N 0 2 375.381 2.712 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)cs1 ZINC000830051972 660632016 /nfs/dbraw/zinc/63/20/16/660632016.db2.gz HVKKHPHEKHXZGR-UHFFFAOYSA-N 0 2 375.453 2.808 20 5 GFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c(Br)nc2n1CCCC2 ZINC000837499251 661001884 /nfs/dbraw/zinc/00/18/84/661001884.db2.gz JPQQSIQAPMCBED-UHFFFAOYSA-N 0 2 381.186 2.848 20 5 GFBDLN Cc1ccc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1 ZINC000123925780 654766057 /nfs/dbraw/zinc/76/60/57/654766057.db2.gz ZXOUOWJMPXUBLK-UHFFFAOYSA-N 0 2 385.829 2.762 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000068038592 654952496 /nfs/dbraw/zinc/95/24/96/654952496.db2.gz CIYKGXIRIZJOHD-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000120876872 655345862 /nfs/dbraw/zinc/34/58/62/655345862.db2.gz YBNPEPCFYYLKSW-UHFFFAOYSA-N 0 2 384.175 2.976 20 5 GFBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000767703371 656215515 /nfs/dbraw/zinc/21/55/15/656215515.db2.gz UGNXIEKVOXEZRV-UHFFFAOYSA-N 0 2 387.801 2.599 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)nc2C)c([N+](=O)[O-])c1 ZINC000788491416 657729153 /nfs/dbraw/zinc/72/91/53/657729153.db2.gz NSELVNSUHXVZAQ-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cnc1C ZINC000794031247 658480737 /nfs/dbraw/zinc/48/07/37/658480737.db2.gz YRZNLYBAFVEAMY-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000152980586 551444252 /nfs/dbraw/zinc/44/42/52/551444252.db2.gz IDXOJCWBBINDIX-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2cncc(Br)c2)ccc1[N+](=O)[O-] ZINC000158203895 551548614 /nfs/dbraw/zinc/54/86/14/551548614.db2.gz DZFUCHVEBLWDJY-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000179546023 552196126 /nfs/dbraw/zinc/19/61/26/552196126.db2.gz AGGOGRXCWYSJOE-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000278795708 563270885 /nfs/dbraw/zinc/27/08/85/563270885.db2.gz HGTBMALYEFYWJM-GFCCVEGCSA-N 0 2 386.817 2.634 20 5 GFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccn(CCC(F)(F)F)n1 ZINC000424087220 563370273 /nfs/dbraw/zinc/37/02/73/563370273.db2.gz RCBNUCINBFRYOT-UHFFFAOYSA-N 0 2 378.332 2.853 20 5 GFBDLN CCCCCc1nnc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000437168220 563690012 /nfs/dbraw/zinc/69/00/12/563690012.db2.gz PYYISYPBQVAWBD-UHFFFAOYSA-N 0 2 386.455 2.988 20 5 GFBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCc1cccc([N+](=O)[O-])c1 ZINC000447999492 563892889 /nfs/dbraw/zinc/89/28/89/563892889.db2.gz KDHVJOQWRXHUIJ-UHFFFAOYSA-N 0 2 375.435 2.961 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)c1C ZINC000564560373 564239393 /nfs/dbraw/zinc/23/93/93/564239393.db2.gz ATRYPHJHIILXDT-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN Nc1nccc(C(=O)Nc2cc(Cl)cc(Br)c2O)c1[N+](=O)[O-] ZINC000548059502 564529076 /nfs/dbraw/zinc/52/90/76/564529076.db2.gz XAGJKIIDCRQKDL-UHFFFAOYSA-N 0 2 387.577 2.776 20 5 GFBDLN O=C1CCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2N1 ZINC000525533898 564702938 /nfs/dbraw/zinc/70/29/38/564702938.db2.gz ZZDXBQVQEULEBC-UHFFFAOYSA-N 0 2 381.797 2.934 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc(OCC(C)(C)O)cc2)cc1[N+](=O)[O-] ZINC000466958783 564950817 /nfs/dbraw/zinc/95/08/17/564950817.db2.gz CYEOCSLHAKMOLJ-UHFFFAOYSA-N 0 2 386.451 2.915 20 5 GFBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCc1ccccc1[N+](=O)[O-] ZINC000467992652 564976814 /nfs/dbraw/zinc/97/68/14/564976814.db2.gz DSXYMTSGHIEEPT-UHFFFAOYSA-N 0 2 375.435 2.961 20 5 GFBDLN O=C(NCCOc1cccc(Br)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000561333915 564991622 /nfs/dbraw/zinc/99/16/22/564991622.db2.gz YVWYBQUMXYLNEQ-UHFFFAOYSA-N 0 2 381.182 2.872 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1sc(NC(C)=O)nc1C ZINC000589559334 565166358 /nfs/dbraw/zinc/16/63/58/565166358.db2.gz UIGBAABCOHVBPV-UHFFFAOYSA-N 0 2 384.439 2.681 20 5 GFBDLN CO[C@H](CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000592353121 565271319 /nfs/dbraw/zinc/27/13/19/565271319.db2.gz VMYHGIXFKBARGK-GFCCVEGCSA-N 0 2 379.232 2.524 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)c([N+](=O)[O-])c1 ZINC000594725633 565412209 /nfs/dbraw/zinc/41/22/09/565412209.db2.gz BRXYSTAIUVPCIZ-UHFFFAOYSA-N 0 2 386.455 2.844 20 5 GFBDLN Cc1cnn(C)c1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000594729882 565413354 /nfs/dbraw/zinc/41/33/54/565413354.db2.gz YZCIFYZWPUVBDY-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000611194078 566121222 /nfs/dbraw/zinc/12/12/22/566121222.db2.gz UVAICZMDXGDWSS-JTQLQIEISA-N 0 2 383.451 2.963 20 5 GFBDLN O=C([O-])c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000740089992 600543122 /nfs/dbraw/zinc/54/31/22/600543122.db2.gz HYEXFHZMGDTXFB-UHFFFAOYSA-N 0 2 397.303 2.639 20 5 GFBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738627616 602538203 /nfs/dbraw/zinc/53/82/03/602538203.db2.gz ABMBFHLRHGVREB-MNOVXSKESA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738627616 602538205 /nfs/dbraw/zinc/53/82/05/602538205.db2.gz ABMBFHLRHGVREB-MNOVXSKESA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000833816813 605675541 /nfs/dbraw/zinc/67/55/41/605675541.db2.gz FIPMFTTZPVEKBK-PXAZEXFGSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000833816813 605675545 /nfs/dbraw/zinc/67/55/45/605675545.db2.gz FIPMFTTZPVEKBK-PXAZEXFGSA-N 0 2 375.381 2.712 20 5 GFBDLN O=[N+]([O-])c1ccc2nc(NC[C@H]3CSCCS3)cc(-c3nn[nH]n3)c2c1 ZINC000823644254 606723607 /nfs/dbraw/zinc/72/36/07/606723607.db2.gz HYQPTJHLLCGKFK-JTQLQIEISA-N 0 2 389.466 2.584 20 5 GFBDLN Cc1c(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000826242795 608101196 /nfs/dbraw/zinc/10/11/96/608101196.db2.gz GSQJZYVOXAKTRD-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000268698981 654983335 /nfs/dbraw/zinc/98/33/35/654983335.db2.gz DJNDZHHTIAIRRN-UHFFFAOYSA-N 0 2 382.345 2.660 20 5 GFBDLN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000152846247 655062414 /nfs/dbraw/zinc/06/24/14/655062414.db2.gz KRHAGQPVGQZBAC-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN COC(=O)c1nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)sc1C1CC1 ZINC000762505075 656044514 /nfs/dbraw/zinc/04/45/14/656044514.db2.gz NUJLWJMDDMKQFK-UHFFFAOYSA-N 0 2 389.436 2.578 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc(OCCO)cc2)c1 ZINC000795318985 658805180 /nfs/dbraw/zinc/80/51/80/658805180.db2.gz XUIHXTQOKYHNIR-UHFFFAOYSA-N 0 2 390.776 2.559 20 5 GFBDLN CC(C)N1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795928309 658873762 /nfs/dbraw/zinc/87/37/62/658873762.db2.gz LNNZMNVFVNZOKC-JTQLQIEISA-N 0 2 379.841 2.538 20 5 GFBDLN COC(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000145680289 551397028 /nfs/dbraw/zinc/39/70/28/551397028.db2.gz JLVCQXTVJHOQNS-UHFFFAOYSA-N 0 2 384.797 2.765 20 5 GFBDLN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185652779 552368124 /nfs/dbraw/zinc/36/81/24/552368124.db2.gz XDIBTXJQHZOGEP-QHCPKHFHSA-N 0 2 388.854 2.928 20 5 GFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278447665 563256696 /nfs/dbraw/zinc/25/66/96/563256696.db2.gz XGTSPPDYEDKDJT-SNVBAGLBSA-N 0 2 388.789 2.592 20 5 GFBDLN Cc1noc(C(C)(C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1 ZINC000296207878 563278661 /nfs/dbraw/zinc/27/86/61/563278661.db2.gz WIIMONAUEVHZNM-UHFFFAOYSA-N 0 2 395.224 2.807 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cn1 ZINC000282078141 563396943 /nfs/dbraw/zinc/39/69/43/563396943.db2.gz WBZQMIYQIJAEKD-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)c(Cl)c1 ZINC000375647641 563413158 /nfs/dbraw/zinc/41/31/58/563413158.db2.gz RBOUKDQRBOLJJR-ZDUSSCGKSA-N 0 2 384.797 2.865 20 5 GFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(CCO)Cc1cccc(Br)c1 ZINC000436732367 563678023 /nfs/dbraw/zinc/67/80/23/563678023.db2.gz CWDNEWVNTJODBG-UHFFFAOYSA-N 0 2 395.209 2.698 20 5 GFBDLN C[C@@H](Sc1n[nH]c(=O)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446065902 563858152 /nfs/dbraw/zinc/85/81/52/563858152.db2.gz FDQUEKBFFIXNNF-RXMQYKEDSA-N 0 2 377.304 2.557 20 5 GFBDLN CC(C)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)no1 ZINC000539796409 564228881 /nfs/dbraw/zinc/22/88/81/564228881.db2.gz SHWJTZSFXATJPX-UHFFFAOYSA-N 0 2 391.203 2.665 20 5 GFBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1)OCCO2 ZINC000476729032 564352098 /nfs/dbraw/zinc/35/20/98/564352098.db2.gz BBRVUUZWNBGTPD-UHFFFAOYSA-N 0 2 388.760 2.959 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1C(C)C ZINC000518769765 564561559 /nfs/dbraw/zinc/56/15/59/564561559.db2.gz ADDPIXZQLXGFDV-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN COC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000521147498 564621197 /nfs/dbraw/zinc/62/11/97/564621197.db2.gz HEDADBQMOCXEJB-GFCCVEGCSA-N 0 2 390.826 2.502 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000581966934 564825052 /nfs/dbraw/zinc/82/50/52/564825052.db2.gz WYYSDCQACGPDJI-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN CC(C)c1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC000582474092 564848062 /nfs/dbraw/zinc/84/80/62/564848062.db2.gz RIZUWOIWOIFDNH-UHFFFAOYSA-N 0 2 380.304 2.921 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000558182410 564895245 /nfs/dbraw/zinc/89/52/45/564895245.db2.gz YEAKLHPXCLGLGG-UHFFFAOYSA-N 0 2 379.785 2.834 20 5 GFBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000466959958 564950914 /nfs/dbraw/zinc/95/09/14/564950914.db2.gz POBFYDFBHRDQKG-UHFFFAOYSA-N 0 2 384.801 2.711 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000466974269 564951697 /nfs/dbraw/zinc/95/16/97/564951697.db2.gz RVVOXXBEHDQQIL-UHFFFAOYSA-N 0 2 375.815 2.518 20 5 GFBDLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000467767795 564971904 /nfs/dbraw/zinc/97/19/04/564971904.db2.gz HSAHRDLNLJTCMP-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN Cn1cc[nH+]c1C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000833059368 600932187 /nfs/dbraw/zinc/93/21/87/600932187.db2.gz YHOZJRMBSMROBZ-KRWDZBQOSA-N 0 2 394.387 2.740 20 5 GFBDLN CNc1cc(N2CCC[C@@H]2CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)nc[nH+]1 ZINC000568395335 602316700 /nfs/dbraw/zinc/31/67/00/602316700.db2.gz GAHWDIZREZMHKP-CYBMUJFWSA-N 0 2 386.412 2.514 20 5 GFBDLN CNc1cc(N2CCC[C@@H]2CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)[nH+]cn1 ZINC000568395335 602316703 /nfs/dbraw/zinc/31/67/03/602316703.db2.gz GAHWDIZREZMHKP-CYBMUJFWSA-N 0 2 386.412 2.514 20 5 GFBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833827335 605889210 /nfs/dbraw/zinc/88/92/10/605889210.db2.gz AUAXDIUCNQZTNX-OUAUKWLOSA-N 0 2 384.820 2.553 20 5 GFBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833827335 605889212 /nfs/dbraw/zinc/88/92/12/605889212.db2.gz AUAXDIUCNQZTNX-OUAUKWLOSA-N 0 2 384.820 2.553 20 5 GFBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000826272591 608757353 /nfs/dbraw/zinc/75/73/53/608757353.db2.gz RDMXMHRYOSETSW-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN O=C(Nc1nc2ccc(I)cc2s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839730582 661103081 /nfs/dbraw/zinc/10/30/81/661103081.db2.gz HWOYOZCPLLMUKF-HTRCEHHLSA-N 0 2 389.174 2.505 20 5 GFBDLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000729664637 655566522 /nfs/dbraw/zinc/56/65/22/655566522.db2.gz TVGGVTPBUYMLPQ-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN O=Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Br)c1 ZINC000770856689 656332381 /nfs/dbraw/zinc/33/23/81/656332381.db2.gz LQQWWRAQJDLWFU-UHFFFAOYSA-N 0 2 395.165 2.893 20 5 GFBDLN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000843878998 661395468 /nfs/dbraw/zinc/39/54/68/661395468.db2.gz SDQWWSQDWVPRDE-ZETCQYMHSA-N 0 2 386.195 2.745 20 5 GFBDLN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@H]1CCN1C1CCCC1 ZINC000859347460 662154916 /nfs/dbraw/zinc/15/49/16/662154916.db2.gz QDRMBFNNSNAHSP-LLVKDONJSA-N 0 2 391.852 2.683 20 5 GFBDLN O=C([O-])CC[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000901682560 663741875 /nfs/dbraw/zinc/74/18/75/663741875.db2.gz RRRJVZVLHPMJBN-LLVKDONJSA-N 0 2 387.230 2.813 20 5 GFBDLN O=C([O-])CC[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000901682560 663741876 /nfs/dbraw/zinc/74/18/76/663741876.db2.gz RRRJVZVLHPMJBN-LLVKDONJSA-N 0 2 387.230 2.813 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000028196654 551123787 /nfs/dbraw/zinc/12/37/87/551123787.db2.gz BSKMHTPLOLMIDU-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)c(F)c1 ZINC000296689086 563296780 /nfs/dbraw/zinc/29/67/80/563296780.db2.gz JLHWJGQTDCZLCJ-UHFFFAOYSA-N 0 2 387.414 2.885 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)c1C ZINC000436164478 563665691 /nfs/dbraw/zinc/66/56/91/563665691.db2.gz ZTOLULZMCKOIIQ-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)c([N+](=O)[O-])n1 ZINC000443419282 563804493 /nfs/dbraw/zinc/80/44/93/563804493.db2.gz QCZHGKMNWYPICA-UHFFFAOYSA-N 0 2 381.439 2.839 20 5 GFBDLN COC(=O)c1ncc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1Cl ZINC000508069374 564251603 /nfs/dbraw/zinc/25/16/03/564251603.db2.gz QQIISISOIVFDRE-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN CSc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000476739627 564353060 /nfs/dbraw/zinc/35/30/60/564353060.db2.gz OLXBMJLZFDSGEK-UHFFFAOYSA-N 0 2 382.419 2.889 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1 ZINC000543661724 564358408 /nfs/dbraw/zinc/35/84/08/564358408.db2.gz GXBQCLXPOWCACS-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN COCCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000466968132 564951676 /nfs/dbraw/zinc/95/16/76/564951676.db2.gz AGLUYZILLMRPDR-UHFFFAOYSA-N 0 2 390.414 2.930 20 5 GFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619468265 565342342 /nfs/dbraw/zinc/34/23/42/565342342.db2.gz NBWFDSMUDDNEJH-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000619507183 565346307 /nfs/dbraw/zinc/34/63/07/565346307.db2.gz LXBHBPCDOMCTKX-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736218691 600292477 /nfs/dbraw/zinc/29/24/77/600292477.db2.gz QMAXEFMLXMTBNJ-ZYHUDNBSSA-N 0 2 381.816 2.762 20 5 GFBDLN CC(C)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000820198191 607153178 /nfs/dbraw/zinc/15/31/78/607153178.db2.gz SBWIGLDWFXRKSB-UHFFFAOYSA-N 0 2 388.409 2.699 20 5 GFBDLN Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826291810 608101366 /nfs/dbraw/zinc/10/13/66/608101366.db2.gz WUTJDHCDJKZBTL-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN CCc1nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1C(=O)OC ZINC000269662350 655016155 /nfs/dbraw/zinc/01/61/55/655016155.db2.gz KHPDMIBXTBYNQO-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])c(O)c2)c2cc(Br)cnc21 ZINC000794876648 658629885 /nfs/dbraw/zinc/62/98/85/658629885.db2.gz GZJADACBOMAHRQ-NYYWCZLTSA-N 0 2 376.166 2.975 20 5 GFBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903901293 663810731 /nfs/dbraw/zinc/81/07/31/663810731.db2.gz FLMSLZXBTUKZBO-VIFPVBQESA-N 0 2 375.244 2.749 20 5 GFBDLN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903901293 663810733 /nfs/dbraw/zinc/81/07/33/663810733.db2.gz FLMSLZXBTUKZBO-VIFPVBQESA-N 0 2 375.244 2.749 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)ccc1[N+](=O)[O-] ZINC000121150174 551228339 /nfs/dbraw/zinc/22/83/39/551228339.db2.gz UIMQOEXZWFLVTD-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1Cl ZINC000158663962 551554920 /nfs/dbraw/zinc/55/49/20/551554920.db2.gz BONKJKDFLGPFIA-UHFFFAOYSA-N 0 2 383.813 2.717 20 5 GFBDLN Cc1c(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cnn1C ZINC000176970100 552148443 /nfs/dbraw/zinc/14/84/43/552148443.db2.gz BDHWQMYOSBKDFY-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2C[S@](C)=O)cc1C ZINC000185656155 552368083 /nfs/dbraw/zinc/36/80/83/552368083.db2.gz BJLSEAOWHAFLNJ-DEOSSOPVSA-N 0 2 382.463 2.891 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)sc1Cl ZINC000190222253 552490932 /nfs/dbraw/zinc/49/09/32/552490932.db2.gz MBGGAMQTAZNUHF-UHFFFAOYSA-N 0 2 391.858 2.823 20 5 GFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000194993224 553035198 /nfs/dbraw/zinc/03/51/98/553035198.db2.gz DOBITVBLBDGCQO-UHFFFAOYSA-N 0 2 399.738 2.511 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000295996441 563270217 /nfs/dbraw/zinc/27/02/17/563270217.db2.gz PLKWGGONUXKKBK-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000375720220 563416068 /nfs/dbraw/zinc/41/60/68/563416068.db2.gz ZDKIQNBWPMTEGE-UHFFFAOYSA-N 0 2 375.428 2.781 20 5 GFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C(=O)c1ccc(Cl)s1 ZINC000430551490 563545454 /nfs/dbraw/zinc/54/54/54/563545454.db2.gz IHXQAFVYGQJPPA-UHFFFAOYSA-N 0 2 377.769 2.916 20 5 GFBDLN O=C1CCN1c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000410417523 563590732 /nfs/dbraw/zinc/59/07/32/563590732.db2.gz KQFJMPRWFNFJCD-UHFFFAOYSA-N 0 2 381.797 2.786 20 5 GFBDLN O=C(N[C@H](CO)c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436861482 563683259 /nfs/dbraw/zinc/68/32/59/563683259.db2.gz BNMYWEZNAQDYBZ-CYBMUJFWSA-N 0 2 381.182 2.526 20 5 GFBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1C ZINC000439576687 563728703 /nfs/dbraw/zinc/72/87/03/563728703.db2.gz ZPMJCSRAKFJXCG-UHFFFAOYSA-N 0 2 387.801 2.564 20 5 GFBDLN Cc1c(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cnn1C ZINC000291959202 563766052 /nfs/dbraw/zinc/76/60/52/563766052.db2.gz RHMMOYJSRRCDFC-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nn1CC(F)(F)F ZINC000416943939 563863618 /nfs/dbraw/zinc/86/36/18/563863618.db2.gz FWIGOHJMHRXKBF-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000471518677 564196952 /nfs/dbraw/zinc/19/69/52/564196952.db2.gz UKOYWAHSEFKIKJ-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1C ZINC000476908835 564358339 /nfs/dbraw/zinc/35/83/39/564358339.db2.gz MOXGXGQUKZREGT-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc3ccn(C)c(=O)c3c2)cc1[N+](=O)[O-] ZINC000556352899 564820735 /nfs/dbraw/zinc/82/07/35/564820735.db2.gz YIVVQXKNGQAMTN-UHFFFAOYSA-N 0 2 379.419 2.617 20 5 GFBDLN Cc1nnc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000532879281 564949302 /nfs/dbraw/zinc/94/93/02/564949302.db2.gz MYTNTNXSJAZKCE-YFKPBYRVSA-N 0 2 381.197 2.633 20 5 GFBDLN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1O ZINC000586750828 565113343 /nfs/dbraw/zinc/11/33/43/565113343.db2.gz VEPPUGMPDMTMTL-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN CCCc1csc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000271056707 655065313 /nfs/dbraw/zinc/06/53/13/655065313.db2.gz YUUXSKGRWVACNJ-UHFFFAOYSA-N 0 2 385.423 2.576 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cn1 ZINC000121573087 655350081 /nfs/dbraw/zinc/35/00/81/655350081.db2.gz DMEGNMJFFACDTR-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000751266824 655824359 /nfs/dbraw/zinc/82/43/59/655824359.db2.gz KWWUSJGZKXRMFQ-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)nc1C1CC1 ZINC000768864268 656257423 /nfs/dbraw/zinc/25/74/23/656257423.db2.gz ODYUCCUCRVLIKG-UHFFFAOYSA-N 0 2 389.436 2.578 20 5 GFBDLN COc1ccc(-c2nnc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)s2)cc1 ZINC000768867514 656257942 /nfs/dbraw/zinc/25/79/42/656257942.db2.gz SNKYRZUSKKSDSS-UHFFFAOYSA-N 0 2 398.447 2.984 20 5 GFBDLN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768881871 656258545 /nfs/dbraw/zinc/25/85/45/656258545.db2.gz NGURWHJFPBSJIH-UHFFFAOYSA-N 0 2 376.799 2.897 20 5 GFBDLN Cc1nnc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)s1 ZINC000795925849 658873022 /nfs/dbraw/zinc/87/30/22/658873022.db2.gz XJOVMWFHEWKNPC-RXMQYKEDSA-N 0 2 380.810 2.587 20 5 GFBDLN C[C@H](NC(=O)Cc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccc(Cl)cc1Cl ZINC000842500198 661342446 /nfs/dbraw/zinc/34/24/46/661342446.db2.gz ZSPJTNIVTJBAPH-HNBZJPLGSA-N 0 2 385.207 2.929 20 5 GFBDLN CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000022195059 207247916 /nfs/dbraw/zinc/24/79/16/207247916.db2.gz LFLDKKKQZCZIRO-LBPRGKRZSA-N 0 2 384.845 2.917 20 5 GFBDLN CCN(CC)C1=NC(=O)C(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000022195059 207247921 /nfs/dbraw/zinc/24/79/21/207247921.db2.gz LFLDKKKQZCZIRO-LBPRGKRZSA-N 0 2 384.845 2.917 20 5 GFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000018111616 551113198 /nfs/dbraw/zinc/11/31/98/551113198.db2.gz IXIKGJSONIACJV-UHFFFAOYSA-N 0 2 381.841 2.973 20 5 GFBDLN CCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000162345397 551607173 /nfs/dbraw/zinc/60/71/73/551607173.db2.gz RGBCKUBZNFRMLL-UHFFFAOYSA-N 0 2 382.345 2.828 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186528855 552390367 /nfs/dbraw/zinc/39/03/67/552390367.db2.gz HRBMNXYZHBHUEO-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN CN1C(=O)Cc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000193453774 552993226 /nfs/dbraw/zinc/99/32/26/552993226.db2.gz BTVPTFBOASUART-UHFFFAOYSA-N 0 2 381.797 2.568 20 5 GFBDLN O=c1[nH]nc([C@H]2CCCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)[nH]1 ZINC000425457717 563423452 /nfs/dbraw/zinc/42/34/52/563423452.db2.gz LCKFQUUDZZYNFA-JTQLQIEISA-N 0 2 382.218 2.561 20 5 GFBDLN O=C(NCc1cc(Br)cc2c1OCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000392247808 563526321 /nfs/dbraw/zinc/52/63/21/563526321.db2.gz REUYKHHHKGJSAL-UHFFFAOYSA-N 0 2 393.193 2.928 20 5 GFBDLN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436795105 563680307 /nfs/dbraw/zinc/68/03/07/563680307.db2.gz XQXJAIXJQAIBLO-ZDUSSCGKSA-N 0 2 399.172 2.665 20 5 GFBDLN O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1noc(C2CC2)n1 ZINC000414438139 563737693 /nfs/dbraw/zinc/73/76/93/563737693.db2.gz DBDLXIOYPHEKRF-UHFFFAOYSA-N 0 2 378.288 2.675 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)c([N+](=O)[O-])n1 ZINC000443428541 563804894 /nfs/dbraw/zinc/80/48/94/563804894.db2.gz PFXHQVICGNWCMS-UHFFFAOYSA-N 0 2 385.471 2.728 20 5 GFBDLN Cc1nc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1I ZINC000509427392 564298832 /nfs/dbraw/zinc/29/88/32/564298832.db2.gz VHGZSRDDHNVVBR-UHFFFAOYSA-N 0 2 399.144 2.861 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(-c2ccccc2)ns1 ZINC000476914355 564358385 /nfs/dbraw/zinc/35/83/85/564358385.db2.gz LKNRKRIHWXPCKD-UHFFFAOYSA-N 0 2 376.419 2.644 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c(Cl)c1Cl ZINC000544407144 564385840 /nfs/dbraw/zinc/38/58/40/564385840.db2.gz MTMNPTUPRATXMN-UHFFFAOYSA-N 0 2 378.193 2.528 20 5 GFBDLN CCc1cnc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000480892075 564494067 /nfs/dbraw/zinc/49/40/67/564494067.db2.gz ASBFJPNVQJNRFL-UHFFFAOYSA-N 0 2 380.209 2.931 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc(C(C)(C)C)ns2)cc1[N+](=O)[O-] ZINC000522900210 564659324 /nfs/dbraw/zinc/65/93/24/564659324.db2.gz HURIKHKNERXFLB-UHFFFAOYSA-N 0 2 390.874 2.928 20 5 GFBDLN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000486650349 564661369 /nfs/dbraw/zinc/66/13/69/564661369.db2.gz XZKNNSUPNJRJBT-RKDXNWHRSA-N 0 2 387.849 2.919 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)c([N+](=O)[O-])c1 ZINC000525726155 564706726 /nfs/dbraw/zinc/70/67/26/564706726.db2.gz PBZUTYJBZRUQRL-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)c1 ZINC000463430763 564881436 /nfs/dbraw/zinc/88/14/36/564881436.db2.gz OKDLQNMKNSDPPD-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN CCn1ncc(C)c1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000594729802 565412590 /nfs/dbraw/zinc/41/25/90/565412590.db2.gz CZPPRHDMYDXEDS-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN CCn1ncc(C)c1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594729815 565413384 /nfs/dbraw/zinc/41/33/84/565413384.db2.gz DNQUQUUUEVZWFA-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)nn2C)c1 ZINC000596045269 565509313 /nfs/dbraw/zinc/50/93/13/565509313.db2.gz MKDPJZRESBEIMA-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN CC1(c2nc(=NC(=O)c3sc(Br)cc3[N+](=O)[O-])s[nH]2)CC1 ZINC000600226391 565718708 /nfs/dbraw/zinc/71/87/08/565718708.db2.gz AEMWZKCWSFEOCX-UHFFFAOYSA-N 0 2 389.256 2.996 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1-n1cncn1 ZINC000603552493 565910704 /nfs/dbraw/zinc/91/07/04/565910704.db2.gz PUWJEDZQBVKTJL-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN O=C([O-])Nc1ccc(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000740021278 600385682 /nfs/dbraw/zinc/38/56/82/600385682.db2.gz ZYRXLDUJPULXMI-UHFFFAOYSA-N 0 2 395.375 2.843 20 5 GFBDLN O=C(Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1ccc([N+](=O)[O-])s1 ZINC000826450734 608163869 /nfs/dbraw/zinc/16/38/69/608163869.db2.gz BCUZCOLTJMCGGH-UHFFFAOYSA-N 0 2 395.744 2.650 20 5 GFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nc(CN(C)C)cs2)cc1[N+](=O)[O-] ZINC000840948227 661216171 /nfs/dbraw/zinc/21/61/71/661216171.db2.gz CPZALKUEVBTKKL-UHFFFAOYSA-N 0 2 390.874 2.876 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cn1 ZINC000769629770 656283206 /nfs/dbraw/zinc/28/32/06/656283206.db2.gz FPLODVKLDOCSMK-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000790424533 657974332 /nfs/dbraw/zinc/97/43/32/657974332.db2.gz OHLTWROHDKDYJB-UHFFFAOYSA-N 0 2 383.329 2.880 20 5 GFBDLN Cc1ccn2cc(C[N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH+]c2c1 ZINC000146961271 551397980 /nfs/dbraw/zinc/39/79/80/551397980.db2.gz IVCQMVXTNJKPPX-UHFFFAOYSA-N 0 2 380.813 2.683 20 5 GFBDLN O=C(N[C@H](CO)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1O ZINC000185935656 552374618 /nfs/dbraw/zinc/37/46/18/552374618.db2.gz YJDBMFGFAMKUPW-CYBMUJFWSA-N 0 2 381.182 2.526 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000191903607 552542215 /nfs/dbraw/zinc/54/22/15/552542215.db2.gz YGEWZTQQZWTJBH-UHFFFAOYSA-N 0 2 382.345 2.883 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)s1 ZINC000375716051 563415968 /nfs/dbraw/zinc/41/59/68/563415968.db2.gz HKOCIOUPZODGPO-UHFFFAOYSA-N 0 2 375.453 2.808 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000392387704 563527015 /nfs/dbraw/zinc/52/70/15/563527015.db2.gz ZTSBANMRNOXFTI-UHFFFAOYSA-N 0 2 376.749 2.902 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc3ccc(Br)cn3n2)cc1 ZINC000430660912 563547471 /nfs/dbraw/zinc/54/74/71/563547471.db2.gz OTMCZACDASYLTE-UHFFFAOYSA-N 0 2 397.210 2.806 20 5 GFBDLN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cc(Cl)c2O)n1 ZINC000436769132 563679517 /nfs/dbraw/zinc/67/95/17/563679517.db2.gz YEBCIDSKKARFCK-UHFFFAOYSA-N 0 2 375.566 2.702 20 5 GFBDLN CCc1n[nH]c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000438258925 563703489 /nfs/dbraw/zinc/70/34/89/563703489.db2.gz ZNUKQLJWHCSAJW-UHFFFAOYSA-N 0 2 389.231 2.752 20 5 GFBDLN CCc1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000414444630 563738579 /nfs/dbraw/zinc/73/85/79/563738579.db2.gz QFNGEJGCZWEKCP-UHFFFAOYSA-N 0 2 382.345 2.828 20 5 GFBDLN CCOC(=O)[C@@H](C(=O)CSc1ccc([N+](=O)[O-])cn1)c1nc(C)cs1 ZINC000448108937 563894283 /nfs/dbraw/zinc/89/42/83/563894283.db2.gz SBRNSQUWHMSMMC-ZDUSSCGKSA-N 0 2 381.435 2.763 20 5 GFBDLN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000540334597 564244945 /nfs/dbraw/zinc/24/49/45/564244945.db2.gz RRSQXFZMPDMQIA-UHFFFAOYSA-N 0 2 384.435 2.578 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000451053899 564267942 /nfs/dbraw/zinc/26/79/42/564267942.db2.gz GJVURXPYAPYTTO-UHFFFAOYSA-N 0 2 397.356 2.966 20 5 GFBDLN CCn1cc(S(=O)(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000543170496 564342073 /nfs/dbraw/zinc/34/20/73/564342073.db2.gz GZYPDSHUMAIWFV-NSHDSACASA-N 0 2 384.380 2.601 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn(C)c1=O ZINC000486545968 564655878 /nfs/dbraw/zinc/65/58/78/564655878.db2.gz FNZLRUGWGFIAJJ-UHFFFAOYSA-N 0 2 392.220 2.710 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000461110375 564789942 /nfs/dbraw/zinc/78/99/42/564789942.db2.gz RBBNYPHMIMSSJL-UHFFFAOYSA-N 0 2 392.618 2.628 20 5 GFBDLN Cc1nc(C(C)(C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])no1 ZINC000462153379 564824653 /nfs/dbraw/zinc/82/46/53/564824653.db2.gz AZWGVCKFQPDQNP-UHFFFAOYSA-N 0 2 395.224 2.807 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000021631931 654528754 /nfs/dbraw/zinc/52/87/54/654528754.db2.gz FMILAEGQTBTBEJ-UHFFFAOYSA-N 0 2 387.757 2.966 20 5 GFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152578945 655059924 /nfs/dbraw/zinc/05/99/24/655059924.db2.gz QWXFTHHLJLIHMX-UHFFFAOYSA-N 0 2 378.797 2.818 20 5 GFBDLN O=C(c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1)N1CCCC1 ZINC000120147780 655329151 /nfs/dbraw/zinc/32/91/51/655329151.db2.gz BWOTXSWFIQIEAK-UHFFFAOYSA-N 0 2 381.435 2.693 20 5 GFBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000742026912 655709547 /nfs/dbraw/zinc/70/95/47/655709547.db2.gz LGAIHFLTGRNUSL-UHFFFAOYSA-N 0 2 387.776 2.595 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2cnc(Cl)c(C)c2)cc([N+](=O)[O-])c1 ZINC000743266751 655727679 /nfs/dbraw/zinc/72/76/79/655727679.db2.gz RGVWWRXCIKZZSO-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000768506912 656240665 /nfs/dbraw/zinc/24/06/65/656240665.db2.gz DFWBKVBWUDWKJI-UHFFFAOYSA-N 0 2 389.842 2.826 20 5 GFBDLN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000775156853 656604985 /nfs/dbraw/zinc/60/49/85/656604985.db2.gz HTGZNGNDMZAWIQ-RDDDGLTNSA-N 0 2 385.320 2.758 20 5 GFBDLN C[C@H]1CCCCN1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795791577 658851778 /nfs/dbraw/zinc/85/17/78/658851778.db2.gz KSVKRAZWGFHOAA-JTQLQIEISA-N 0 2 379.841 2.540 20 5 GFBDLN COc1cncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000799184971 659171904 /nfs/dbraw/zinc/17/19/04/659171904.db2.gz SSTUTRZZRDGYOW-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN Cc1nccn1CCCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018419 660102016 /nfs/dbraw/zinc/10/20/16/660102016.db2.gz PMLFZUCJDJCMBI-UHFFFAOYSA-N 0 2 390.824 2.651 20 5 GFBDLN CC[NH+](CC)Cc1csc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000848696257 661675422 /nfs/dbraw/zinc/67/54/22/661675422.db2.gz MNSNVZKDRFSUFK-UHFFFAOYSA-N 0 2 388.446 2.833 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2cc(Br)nn2C)c(C)c1[N+](=O)[O-] ZINC000857251483 662070272 /nfs/dbraw/zinc/07/02/72/662070272.db2.gz CAOAPKYZBKYRLO-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)cc1 ZINC000031669575 551130269 /nfs/dbraw/zinc/13/02/69/551130269.db2.gz CJNHMUCRVSVSIP-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nc[nH]n3)cc2)c(Cl)c1 ZINC000110095291 551202053 /nfs/dbraw/zinc/20/20/53/551202053.db2.gz YKKMJGZWHLGXJR-UHFFFAOYSA-N 0 2 379.785 2.834 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1C ZINC000118301156 551214556 /nfs/dbraw/zinc/21/45/56/551214556.db2.gz OTAVGMZZBHEFON-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160217191 551577399 /nfs/dbraw/zinc/57/73/99/551577399.db2.gz DUWYCQYRDYUWJP-UHFFFAOYSA-N 0 2 378.332 2.717 20 5 GFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cncc(I)c1 ZINC000180766941 552235194 /nfs/dbraw/zinc/23/51/94/552235194.db2.gz KJWUVCBVTCFNJE-UHFFFAOYSA-N 0 2 385.117 2.552 20 5 GFBDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000298917620 563371243 /nfs/dbraw/zinc/37/12/43/563371243.db2.gz BCKGUZMXLUQGEC-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000328056460 563460302 /nfs/dbraw/zinc/46/03/02/563460302.db2.gz IDZHPHWDNLNVAQ-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc(C2CCOCC2)cs1 ZINC000284989204 563498104 /nfs/dbraw/zinc/49/81/04/563498104.db2.gz FIWQDXKFSMHKDM-UHFFFAOYSA-N 0 2 383.451 2.887 20 5 GFBDLN NC(=O)Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000431164598 563554799 /nfs/dbraw/zinc/55/47/99/563554799.db2.gz YADNEWGMSFFGKE-UHFFFAOYSA-N 0 2 388.764 2.679 20 5 GFBDLN COC(=O)c1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1C1CC1 ZINC000432363500 563581937 /nfs/dbraw/zinc/58/19/37/563581937.db2.gz VZWHCTPPBSGLEH-UHFFFAOYSA-N 0 2 383.407 2.516 20 5 GFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000436197026 563667738 /nfs/dbraw/zinc/66/77/38/563667738.db2.gz JNDPQURRHBYDJC-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN COC(=O)c1ccc(O)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000436478761 563671281 /nfs/dbraw/zinc/67/12/81/563671281.db2.gz QOHJPSZAZLJNQD-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN Cc1nn(C)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000414446326 563738441 /nfs/dbraw/zinc/73/84/41/563738441.db2.gz YHCIBOOJQUIUEX-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000416413838 563825269 /nfs/dbraw/zinc/82/52/69/563825269.db2.gz DTPGWZMPSFNOHF-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2noc(-c3cccs3)n2)c1C ZINC000538713573 564198366 /nfs/dbraw/zinc/19/83/66/564198366.db2.gz SPEFOKLGDWFVNG-UHFFFAOYSA-N 0 2 380.407 2.546 20 5 GFBDLN Cc1nn2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3C)cnc2c1Cl ZINC000540561595 564251458 /nfs/dbraw/zinc/25/14/58/564251458.db2.gz PPKWLTKQLLRCNY-UHFFFAOYSA-N 0 2 381.801 2.709 20 5 GFBDLN Cc1c(Br)c(=O)n(Cc2nc(=O)c3sccc3[nH]2)cc1[N+](=O)[O-] ZINC000541286387 564272233 /nfs/dbraw/zinc/27/22/33/564272233.db2.gz JHOWZLLFZIPRGX-UHFFFAOYSA-N 0 2 397.210 2.586 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)c2ncccc12 ZINC000565573616 564286284 /nfs/dbraw/zinc/28/62/84/564286284.db2.gz MSABKNJUYPZAQY-UHFFFAOYSA-N 0 2 377.407 2.673 20 5 GFBDLN Cc1cc(C)nc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000543691292 564359762 /nfs/dbraw/zinc/35/97/62/564359762.db2.gz PVIAPABPOSKCOG-UHFFFAOYSA-N 0 2 387.215 2.565 20 5 GFBDLN CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000512598769 564407066 /nfs/dbraw/zinc/40/70/66/564407066.db2.gz VKLPPSSWULHGFK-UHFFFAOYSA-N 0 2 383.813 2.717 20 5 GFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1[N+](=O)[O-] ZINC000480223533 564464740 /nfs/dbraw/zinc/46/47/40/564464740.db2.gz XWDHSFOXVXYBJO-UHFFFAOYSA-N 0 2 383.813 2.765 20 5 GFBDLN CCc1nnc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000574123108 564669961 /nfs/dbraw/zinc/66/99/61/564669961.db2.gz KOCMYPWIAZYXBH-UHFFFAOYSA-N 0 2 397.265 2.794 20 5 GFBDLN CC(C)c1csc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000525212947 564695962 /nfs/dbraw/zinc/69/59/62/564695962.db2.gz GBCYAPUMKKLUBO-UHFFFAOYSA-N 0 2 385.423 2.747 20 5 GFBDLN CCc1nc(C)c(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)s1 ZINC000489021438 564727569 /nfs/dbraw/zinc/72/75/69/564727569.db2.gz LEVXZVCVWOUHNU-UHFFFAOYSA-N 0 2 375.403 2.871 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)c1C ZINC000468886510 564997832 /nfs/dbraw/zinc/99/78/32/564997832.db2.gz IJAKZTLZXURQGK-UHFFFAOYSA-N 0 2 376.316 2.821 20 5 GFBDLN CC(C)(C)OC(=O)c1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000594581758 565401804 /nfs/dbraw/zinc/40/18/04/565401804.db2.gz BRRYCFJLEIPIOT-UHFFFAOYSA-N 0 2 385.423 2.807 20 5 GFBDLN COC(=O)c1sc(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000594697035 565408770 /nfs/dbraw/zinc/40/87/70/565408770.db2.gz MUOIZIMSNGSNJA-UHFFFAOYSA-N 0 2 376.437 2.922 20 5 GFBDLN CC[C@@](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000561736818 600128513 /nfs/dbraw/zinc/12/85/13/600128513.db2.gz YTOLSGQPZDUGND-FQEVSTJZSA-N 0 2 394.387 2.900 20 5 GFBDLN Cc1ccc([C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000540671653 600163023 /nfs/dbraw/zinc/16/30/23/600163023.db2.gz ZYDGEJZLXVTWRJ-MRXNPFEDSA-N 0 2 394.387 2.687 20 5 GFBDLN CCOc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000595890831 601545568 /nfs/dbraw/zinc/54/55/68/601545568.db2.gz MZJZDRGZUQURJN-LJQANCHMSA-N 0 2 399.403 2.616 20 5 GFBDLN CCOc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000595890831 601545571 /nfs/dbraw/zinc/54/55/71/601545571.db2.gz MZJZDRGZUQURJN-LJQANCHMSA-N 0 2 399.403 2.616 20 5 GFBDLN CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000738805886 603225631 /nfs/dbraw/zinc/22/56/31/603225631.db2.gz KKTCKKPZPDFBIS-SFHVURJKSA-N 0 2 389.412 2.583 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000833816506 605677025 /nfs/dbraw/zinc/67/70/25/605677025.db2.gz DHSIAOCLPTYBOL-YVEFUNNKSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000833816506 605677029 /nfs/dbraw/zinc/67/70/29/605677029.db2.gz DHSIAOCLPTYBOL-YVEFUNNKSA-N 0 2 375.381 2.712 20 5 GFBDLN CCCCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000267607954 654937715 /nfs/dbraw/zinc/93/77/15/654937715.db2.gz CCIDLDWVBLUDNX-UHFFFAOYSA-N 0 2 386.455 2.988 20 5 GFBDLN Cc1cc(F)c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000172895123 655160307 /nfs/dbraw/zinc/16/03/07/655160307.db2.gz CWNMTBKGKZNKLR-UHFFFAOYSA-N 0 2 382.295 2.602 20 5 GFBDLN Cc1nccn1C[C@H](C)CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000840950155 661216456 /nfs/dbraw/zinc/21/64/56/661216456.db2.gz FOJFDCXHAHWGRZ-SECBINFHSA-N 0 2 390.824 2.507 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c(Cl)c1 ZINC000769847568 656294936 /nfs/dbraw/zinc/29/49/36/656294936.db2.gz WFPHCSGTSAJIDJ-UHFFFAOYSA-N 0 2 388.736 2.919 20 5 GFBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)oc1C ZINC000778081100 656859683 /nfs/dbraw/zinc/85/96/83/656859683.db2.gz ODJOSYLHRFPVGY-UHFFFAOYSA-N 0 2 376.188 2.763 20 5 GFBDLN COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccco1 ZINC000795866875 658864113 /nfs/dbraw/zinc/86/41/13/658864113.db2.gz KQVQQYNZSMNOJO-SNVBAGLBSA-N 0 2 378.765 2.646 20 5 GFBDLN Nc1ccc(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC000798247876 659089232 /nfs/dbraw/zinc/08/92/32/659089232.db2.gz YQJJILNOOOGKTH-UHFFFAOYSA-N 0 2 390.736 2.679 20 5 GFBDLN Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])c1Br ZINC000804698562 659669528 /nfs/dbraw/zinc/66/95/28/659669528.db2.gz LZMKFELYLIRVFI-VIFPVBQESA-N 0 2 382.218 2.873 20 5 GFBDLN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000029433767 551126610 /nfs/dbraw/zinc/12/66/10/551126610.db2.gz HJILBBWESCZOSW-UHFFFAOYSA-N 0 2 377.831 2.515 20 5 GFBDLN Cc1n[nH]c(C)c1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000161768989 551598457 /nfs/dbraw/zinc/59/84/57/551598457.db2.gz UJNVIUZKYUDOSW-UHFFFAOYSA-N 0 2 389.231 2.806 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)c(Cl)c1 ZINC000172316078 551676058 /nfs/dbraw/zinc/67/60/58/551676058.db2.gz GLHLQSSYFPQBNA-UHFFFAOYSA-N 0 2 375.815 2.578 20 5 GFBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000185959578 552375548 /nfs/dbraw/zinc/37/55/48/552375548.db2.gz LQCNAXXXXPRAIZ-UHFFFAOYSA-N 0 2 382.295 2.595 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)cc1[N+](=O)[O-] ZINC000375719333 563416037 /nfs/dbraw/zinc/41/60/37/563416037.db2.gz WDSDPQZYNQUHOM-UHFFFAOYSA-N 0 2 387.464 2.650 20 5 GFBDLN O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436795102 563680030 /nfs/dbraw/zinc/68/00/30/563680030.db2.gz XQXJAIXJQAIBLO-CYBMUJFWSA-N 0 2 399.172 2.665 20 5 GFBDLN CCCc1cnc(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)s1 ZINC000416418502 563825660 /nfs/dbraw/zinc/82/56/60/563825660.db2.gz QXRBKOBIDUSTLE-UHFFFAOYSA-N 0 2 385.423 2.591 20 5 GFBDLN CCc1nc(C)c(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)s1 ZINC000416422634 563827276 /nfs/dbraw/zinc/82/72/76/563827276.db2.gz NHPKRODVKSSKEV-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)cc1[N+](=O)[O-] ZINC000446970870 563871734 /nfs/dbraw/zinc/87/17/34/563871734.db2.gz BBESRNXCURSAJC-UHFFFAOYSA-N 0 2 379.423 2.859 20 5 GFBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2nc(C)cs2)cc([N+](=O)[O-])c1C ZINC000571479427 564553601 /nfs/dbraw/zinc/55/36/01/564553601.db2.gz QYRTYGRYBCIHIJ-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN COC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000521147499 564620959 /nfs/dbraw/zinc/62/09/59/564620959.db2.gz HEDADBQMOCXEJB-LBPRGKRZSA-N 0 2 390.826 2.502 20 5 GFBDLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1C ZINC000524297251 564679624 /nfs/dbraw/zinc/67/96/24/564679624.db2.gz MODBRGBWNQTQEM-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cccc(Br)c1Cl ZINC000461113850 564789637 /nfs/dbraw/zinc/78/96/37/564789637.db2.gz OCDXZWGEVQKTIR-UHFFFAOYSA-N 0 2 392.618 2.628 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000498014436 564885484 /nfs/dbraw/zinc/88/54/84/564885484.db2.gz COPUOOSBKXXSJW-UHFFFAOYSA-N 0 2 379.785 2.834 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccccc2[C@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000600664062 565743115 /nfs/dbraw/zinc/74/31/15/565743115.db2.gz SMIGVVGDEMJWDA-LLVKDONJSA-N 0 2 381.435 2.717 20 5 GFBDLN COCCOCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000600664048 565743589 /nfs/dbraw/zinc/74/35/89/565743589.db2.gz SDAOIRXHQCSULR-UHFFFAOYSA-N 0 2 386.451 2.929 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000830403997 602198230 /nfs/dbraw/zinc/19/82/30/602198230.db2.gz YQDDYUQJNGNZLN-KRWDZBQOSA-N 0 2 391.453 2.763 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000830403997 602198232 /nfs/dbraw/zinc/19/82/32/602198232.db2.gz YQDDYUQJNGNZLN-KRWDZBQOSA-N 0 2 391.453 2.763 20 5 GFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738632163 602539326 /nfs/dbraw/zinc/53/93/26/602539326.db2.gz ZTMDAICCLLFPTM-GHMZBOCLSA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738632163 602539328 /nfs/dbraw/zinc/53/93/28/602539328.db2.gz ZTMDAICCLLFPTM-GHMZBOCLSA-N 0 2 384.820 2.507 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000825264610 604258931 /nfs/dbraw/zinc/25/89/31/604258931.db2.gz LWXIXPJGJGPPLW-MNOVXSKESA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000825264610 604258932 /nfs/dbraw/zinc/25/89/32/604258932.db2.gz LWXIXPJGJGPPLW-MNOVXSKESA-N 0 2 384.820 2.555 20 5 GFBDLN Cc1nnc([C@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)o1 ZINC000830860914 660683726 /nfs/dbraw/zinc/68/37/26/660683726.db2.gz XNSAKLWIFODUFB-YFKPBYRVSA-N 0 2 381.197 2.633 20 5 GFBDLN C[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000115312858 655234397 /nfs/dbraw/zinc/23/43/97/655234397.db2.gz GFKLJEOYHJQYOE-QHCPKHFHSA-N 0 2 388.854 2.928 20 5 GFBDLN CC(C)c1nnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000275500984 655239083 /nfs/dbraw/zinc/23/90/83/655239083.db2.gz LKJJMHNAZMYTTG-UHFFFAOYSA-N 0 2 391.203 2.665 20 5 GFBDLN CCn1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000416581278 655404457 /nfs/dbraw/zinc/40/44/57/655404457.db2.gz KGMGUOHPJUMGSE-UHFFFAOYSA-N 0 2 379.225 2.597 20 5 GFBDLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759092527 655947164 /nfs/dbraw/zinc/94/71/64/655947164.db2.gz WNZFIVKNZNPAES-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)cc1[N+](=O)[O-] ZINC000775100646 656599209 /nfs/dbraw/zinc/59/92/09/656599209.db2.gz GPVDGLHFHKJJPI-UHFFFAOYSA-N 0 2 380.304 2.500 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(Br)nn2C)cc1[N+](=O)[O-] ZINC000794057764 658482688 /nfs/dbraw/zinc/48/26/88/658482688.db2.gz NAOQOCUJRVFTHQ-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)oc1C ZINC000808554879 659898101 /nfs/dbraw/zinc/89/81/01/659898101.db2.gz JVFSULJGIQKXSC-UHFFFAOYSA-N 0 2 389.773 2.522 20 5 GFBDLN CCO[C@@H](CS(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000863405748 662327657 /nfs/dbraw/zinc/32/76/57/662327657.db2.gz GQWBUEWKMVEADP-ZDUSSCGKSA-N 0 2 393.259 2.914 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(C(F)(F)F)s1 ZINC000121180899 551229204 /nfs/dbraw/zinc/22/92/04/551229204.db2.gz ATTPLZNVPWAQPH-UHFFFAOYSA-N 0 2 382.345 2.883 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1C ZINC000163713445 551621937 /nfs/dbraw/zinc/62/19/37/551621937.db2.gz WMEDVXHUUQJKGM-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccncc2)ns1 ZINC000182562748 552287717 /nfs/dbraw/zinc/28/77/17/552287717.db2.gz FHYCNSPDRBWOSJ-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C[S@](C)=O)c1[N+](=O)[O-] ZINC000189327215 552468768 /nfs/dbraw/zinc/46/87/68/552468768.db2.gz BMDAESOQWVTZMH-DEOSSOPVSA-N 0 2 382.463 2.891 20 5 GFBDLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000278795712 563270692 /nfs/dbraw/zinc/27/06/92/563270692.db2.gz HGTBMALYEFYWJM-LBPRGKRZSA-N 0 2 386.817 2.634 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2ccn(CCC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000424083761 563370070 /nfs/dbraw/zinc/37/00/70/563370070.db2.gz NWBKVQBFJYRTDJ-UHFFFAOYSA-N 0 2 378.332 2.853 20 5 GFBDLN COC(=O)c1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1C(C)C ZINC000288529861 563646730 /nfs/dbraw/zinc/64/67/30/563646730.db2.gz HAGXOGIFNSZRAN-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2F)cc([N+](=O)[O-])c1 ZINC000438719474 563709576 /nfs/dbraw/zinc/70/95/76/563709576.db2.gz GGMYXGHKGMHLFF-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cn4c(n3)CCCC4)sc2c1 ZINC000416422450 563827127 /nfs/dbraw/zinc/82/71/27/563827127.db2.gz LVNSYFVRHMSVFK-UHFFFAOYSA-N 0 2 379.423 2.538 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(Cc3ccsc3)o2)cc1[N+](=O)[O-] ZINC000446947353 563871039 /nfs/dbraw/zinc/87/10/39/563871039.db2.gz FPDPYRPLCLLIPI-UHFFFAOYSA-N 0 2 380.407 2.739 20 5 GFBDLN COC(=O)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000508066921 564251814 /nfs/dbraw/zinc/25/18/14/564251814.db2.gz GMJRLOACRBTYPF-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)ccc1O ZINC000542238149 564306174 /nfs/dbraw/zinc/30/61/74/564306174.db2.gz ZKTBJTYDPIMAAX-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)c1C ZINC000543701356 564360627 /nfs/dbraw/zinc/36/06/27/564360627.db2.gz POBVPUTXKFUCKY-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN O=C([O-])c1ccnc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c1[N+](=O)[O-] ZINC000518540341 564556179 /nfs/dbraw/zinc/55/61/79/564556179.db2.gz IGQAHCJOBFHQOR-UHFFFAOYSA-N 0 2 382.829 2.725 20 5 GFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)c3c(c2)OCCO3)[nH]1 ZINC000486051798 564637008 /nfs/dbraw/zinc/63/70/08/564637008.db2.gz MBYYRTMHXLBXDZ-OWOJBTEDSA-N 0 2 396.153 2.500 20 5 GFBDLN C[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000522357657 564650204 /nfs/dbraw/zinc/65/02/04/564650204.db2.gz ASVNADYLNGEUDC-HSZRJFAPSA-N 0 2 388.854 2.928 20 5 GFBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cncc(F)c2)c1 ZINC000500567005 564956614 /nfs/dbraw/zinc/95/66/14/564956614.db2.gz QTMISXVRUKSTBL-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)s2)cc1 ZINC000534205294 564982356 /nfs/dbraw/zinc/98/23/56/564982356.db2.gz XVSNVQBVWOIVLT-UHFFFAOYSA-N 0 2 398.447 2.984 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740174700 601929182 /nfs/dbraw/zinc/92/91/82/601929182.db2.gz KQDXAPDHUZSMCK-GJZGRUSLSA-N 0 2 390.440 2.839 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740174700 601929185 /nfs/dbraw/zinc/92/91/85/601929185.db2.gz KQDXAPDHUZSMCK-GJZGRUSLSA-N 0 2 390.440 2.839 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+](CC)CCC(=O)[O-])c1=S ZINC000829705514 602194491 /nfs/dbraw/zinc/19/44/91/602194491.db2.gz XFWBIEUCBZLGJK-UHFFFAOYSA-N 0 2 379.442 2.763 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+](CC)CCC(=O)[O-])c1=S ZINC000829705514 602194493 /nfs/dbraw/zinc/19/44/93/602194493.db2.gz XFWBIEUCBZLGJK-UHFFFAOYSA-N 0 2 379.442 2.763 20 5 GFBDLN Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567113648 602316323 /nfs/dbraw/zinc/31/63/23/602316323.db2.gz IXFQBLGXJTWFFI-UHFFFAOYSA-N 0 2 376.438 2.770 20 5 GFBDLN Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567113648 602316327 /nfs/dbraw/zinc/31/63/27/602316327.db2.gz IXFQBLGXJTWFFI-UHFFFAOYSA-N 0 2 376.438 2.770 20 5 GFBDLN CN(CC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1)C(=O)[O-] ZINC000739661260 602387818 /nfs/dbraw/zinc/38/78/18/602387818.db2.gz PKTCLULUWRTPCL-UHFFFAOYSA-N 0 2 384.820 2.509 20 5 GFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832966 605909487 /nfs/dbraw/zinc/90/94/87/605909487.db2.gz VYAIQBYQEWQZAT-MXWKQRLJSA-N 0 2 384.820 2.553 20 5 GFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832966 605909488 /nfs/dbraw/zinc/90/94/88/605909488.db2.gz VYAIQBYQEWQZAT-MXWKQRLJSA-N 0 2 384.820 2.553 20 5 GFBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000007323819 654468669 /nfs/dbraw/zinc/46/86/69/654468669.db2.gz UWSNACHKUQHZAM-UHFFFAOYSA-N 0 2 376.799 2.897 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000473757734 655414279 /nfs/dbraw/zinc/41/42/79/655414279.db2.gz JHDMWCGLQVADSV-UHFFFAOYSA-N 0 2 383.329 2.880 20 5 GFBDLN O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000757348355 655910924 /nfs/dbraw/zinc/91/09/24/655910924.db2.gz KPTBMRBVOQYNRA-UHFFFAOYSA-N 0 2 389.748 2.774 20 5 GFBDLN CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000770861499 656332606 /nfs/dbraw/zinc/33/26/06/656332606.db2.gz JGALOXPWLVZPEY-UHFFFAOYSA-N 0 2 384.797 3.000 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)o2)cs1 ZINC000775128837 656601778 /nfs/dbraw/zinc/60/17/78/656601778.db2.gz FZZZUNXFMWXCDF-UHFFFAOYSA-N 0 2 384.370 2.570 20 5 GFBDLN CCc1cnc(NS(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)s1 ZINC000777670873 656832230 /nfs/dbraw/zinc/83/22/30/656832230.db2.gz TVFKQRCLPUPIST-UHFFFAOYSA-N 0 2 386.411 2.593 20 5 GFBDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000783841374 657264565 /nfs/dbraw/zinc/26/45/65/657264565.db2.gz RDAVYDZIZLYSBZ-UHFFFAOYSA-N 0 2 389.842 2.826 20 5 GFBDLN O=C1CCN1c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000790351321 657957347 /nfs/dbraw/zinc/95/73/47/657957347.db2.gz UETWLIOVJRVVFD-UHFFFAOYSA-N 0 2 381.797 2.786 20 5 GFBDLN Cn1nc(Br)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000794059343 658484371 /nfs/dbraw/zinc/48/43/71/658484371.db2.gz FBLJJRQQAFEOQW-UHFFFAOYSA-N 0 2 395.622 2.545 20 5 GFBDLN O=C(NC[C@H](O)c1cccc(Br)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000803368821 659573918 /nfs/dbraw/zinc/57/39/18/659573918.db2.gz UQFDGESVIPCOPF-AWEZNQCLSA-N 0 2 381.182 2.526 20 5 GFBDLN COC[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccco1 ZINC000815021388 660102724 /nfs/dbraw/zinc/10/27/24/660102724.db2.gz FXZOBDVKPRDERW-SNVBAGLBSA-N 0 2 378.765 2.646 20 5 GFBDLN CO[C@@H](CS(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000842585186 661344610 /nfs/dbraw/zinc/34/46/10/661344610.db2.gz UQEXOWPGDWRKPR-LBPRGKRZSA-N 0 2 381.248 2.770 20 5 GFBDLN O=C1CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2N1 ZINC000121263974 551230503 /nfs/dbraw/zinc/23/05/03/551230503.db2.gz BAMZOURAKGDSIF-UHFFFAOYSA-N 0 2 381.797 2.934 20 5 GFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000152979320 551444369 /nfs/dbraw/zinc/44/43/69/551444369.db2.gz MXNPRQRUFALEIJ-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nc3c(s2)COCC3)cc1[N+](=O)[O-] ZINC000176581275 552141857 /nfs/dbraw/zinc/14/18/57/552141857.db2.gz TWFMGSLRANCGFE-UHFFFAOYSA-N 0 2 389.842 2.887 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2nc(-c3ccncc3)ns2)ccc1[N+](=O)[O-] ZINC000182560156 552287829 /nfs/dbraw/zinc/28/78/29/552287829.db2.gz NIDMIJORBXVWTK-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000328058731 563460846 /nfs/dbraw/zinc/46/08/46/563460846.db2.gz KXSVOQSDMZQRRW-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN O=C1CCN1c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000410422663 563591206 /nfs/dbraw/zinc/59/12/06/563591206.db2.gz YRENZNCOYDKZSU-UHFFFAOYSA-N 0 2 381.797 2.786 20 5 GFBDLN Cn1c(=O)[nH]c2ccc(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc21 ZINC000442256976 563770158 /nfs/dbraw/zinc/77/01/58/563770158.db2.gz YRIZWMBAYPJBHP-UHFFFAOYSA-N 0 2 382.785 2.641 20 5 GFBDLN O=c1[nH]cc(Br)cc1Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445237798 563845893 /nfs/dbraw/zinc/84/58/93/563845893.db2.gz UKAJUNCNFHCJMY-UHFFFAOYSA-N 0 2 393.153 2.804 20 5 GFBDLN COC(=O)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000508092934 564253494 /nfs/dbraw/zinc/25/34/94/564253494.db2.gz BVLOZCNMEHJEBP-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN COCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000508109322 564254839 /nfs/dbraw/zinc/25/48/39/564254839.db2.gz JIKWRIVRLVUBCR-UHFFFAOYSA-N 0 2 380.407 2.547 20 5 GFBDLN O=C(N[C@@H](CCO)c1ccccc1Br)c1ccc([N+](=O)[O-])c(O)c1 ZINC000541051462 564263985 /nfs/dbraw/zinc/26/39/85/564263985.db2.gz NZPKCKMBMNYNBU-ZDUSSCGKSA-N 0 2 395.209 2.916 20 5 GFBDLN O=C(NCCNc1cccc(Br)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000517977750 564544266 /nfs/dbraw/zinc/54/42/66/564544266.db2.gz PEJNIRYVIVUQQO-UHFFFAOYSA-N 0 2 380.198 2.905 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000590744116 565199714 /nfs/dbraw/zinc/19/97/14/565199714.db2.gz MGZMWABQIKJKMY-UHFFFAOYSA-N 0 2 397.356 2.966 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c(F)c1 ZINC000594486773 565396136 /nfs/dbraw/zinc/39/61/36/565396136.db2.gz IGPULGSDUVSXKE-CABZTGNLSA-N 0 2 386.323 2.512 20 5 GFBDLN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1c[nH]nc1C1CC1 ZINC000594728361 565412031 /nfs/dbraw/zinc/41/20/31/565412031.db2.gz DHKRFTKCUGSUJB-UHFFFAOYSA-N 0 2 387.215 2.759 20 5 GFBDLN CC1(c2nc(=NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)s[nH]2)CC1 ZINC000600226486 565718747 /nfs/dbraw/zinc/71/87/47/565718747.db2.gz CWFJTDDLFHEPGH-UHFFFAOYSA-N 0 2 397.254 2.863 20 5 GFBDLN COc1cc([N+](=O)[O-])c(C(=O)N=c2nc(C3(C)CC3)[nH]s2)cc1SC ZINC000600228698 565719034 /nfs/dbraw/zinc/71/90/34/565719034.db2.gz YHSCXHHJUWIEGE-UHFFFAOYSA-N 0 2 380.451 2.903 20 5 GFBDLN CC[C@](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000561736819 600128351 /nfs/dbraw/zinc/12/83/51/600128351.db2.gz YTOLSGQPZDUGND-HXUWFJFHSA-N 0 2 394.387 2.900 20 5 GFBDLN O=C([O-])NCc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000739993008 600289189 /nfs/dbraw/zinc/28/91/89/600289189.db2.gz YWIZEUHZWFHUNM-UHFFFAOYSA-N 0 2 381.348 2.800 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000825262660 604206566 /nfs/dbraw/zinc/20/65/66/604206566.db2.gz BREKVEUSOCMJFV-MNOVXSKESA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000825262660 604206569 /nfs/dbraw/zinc/20/65/69/604206569.db2.gz BREKVEUSOCMJFV-MNOVXSKESA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823711400 604229615 /nfs/dbraw/zinc/22/96/15/604229615.db2.gz BRFFLFMPLAJVOH-CYBMUJFWSA-N 0 2 390.440 2.776 20 5 GFBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000830795024 660680344 /nfs/dbraw/zinc/68/03/44/660680344.db2.gz FWMCCSKERIOBLM-ZDUSSCGKSA-N 0 2 379.722 2.531 20 5 GFBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000040945800 654621784 /nfs/dbraw/zinc/62/17/84/654621784.db2.gz KOVMRBSRMULNMN-UHFFFAOYSA-N 0 2 380.363 2.914 20 5 GFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1c(Br)nc2n1CCCC2 ZINC000837526480 661003504 /nfs/dbraw/zinc/00/35/04/661003504.db2.gz MHPLEIVKJZZNIS-UHFFFAOYSA-N 0 2 381.186 2.848 20 5 GFBDLN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000097548693 655035843 /nfs/dbraw/zinc/03/58/43/655035843.db2.gz CJKVLNBSNKYDTL-UHFFFAOYSA-N 0 2 389.792 2.592 20 5 GFBDLN CCCc1csc(NS(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])n1 ZINC000271021320 655063987 /nfs/dbraw/zinc/06/39/87/655063987.db2.gz MGHCSBISAZNZAK-UHFFFAOYSA-N 0 2 385.423 2.591 20 5 GFBDLN COCCn1nc(C)c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000175974547 655230262 /nfs/dbraw/zinc/23/02/62/655230262.db2.gz ABXCHFPTHLLLJP-UHFFFAOYSA-N 0 2 388.833 2.509 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000116601009 655250005 /nfs/dbraw/zinc/25/00/05/655250005.db2.gz QLGSPYYMUDKFDS-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN O=C(CN1C(=S)N=NC1c1cccs1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000753975708 655861627 /nfs/dbraw/zinc/86/16/27/655861627.db2.gz IKASCLNQGKMSCH-UHFFFAOYSA-N 0 2 377.407 2.548 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000768869710 656258104 /nfs/dbraw/zinc/25/81/04/656258104.db2.gz XDWCUXUXKMZPHG-UHFFFAOYSA-N 0 2 387.757 2.966 20 5 GFBDLN Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769635360 656283606 /nfs/dbraw/zinc/28/36/06/656283606.db2.gz CRCOLQDICUHUNI-UHFFFAOYSA-N 0 2 395.622 2.545 20 5 GFBDLN CO[C@@H](C)c1nsc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000788215411 657672728 /nfs/dbraw/zinc/67/27/28/657672728.db2.gz WFWYIJULVHJKRU-LURJTMIESA-N 0 2 378.819 2.608 20 5 GFBDLN Cc1ccc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])c1Br ZINC000804698561 659669662 /nfs/dbraw/zinc/66/96/62/659669662.db2.gz LZMKFELYLIRVFI-SECBINFHSA-N 0 2 382.218 2.873 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000055619657 551173561 /nfs/dbraw/zinc/17/35/61/551173561.db2.gz CWXXHEFIYKEIOP-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN CCN1CCc2nc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2C1 ZINC000121496546 551235756 /nfs/dbraw/zinc/23/57/56/551235756.db2.gz ZFDLCURAKRAPBW-UHFFFAOYSA-N 0 2 382.467 2.539 20 5 GFBDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000187968865 552429370 /nfs/dbraw/zinc/42/93/70/552429370.db2.gz ULHBBCQUWBPACP-SECBINFHSA-N 0 2 388.833 2.761 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-n2ccnn2)c(Cl)c1 ZINC000194193478 553014359 /nfs/dbraw/zinc/01/43/59/553014359.db2.gz YHQPDHHHFMSTPO-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000194994498 553035010 /nfs/dbraw/zinc/03/50/10/553035010.db2.gz CDSPLHQQXDUJLG-UHFFFAOYSA-N 0 2 399.738 2.511 20 5 GFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccn(CCC(F)(F)F)n1 ZINC000424080036 563370166 /nfs/dbraw/zinc/37/01/66/563370166.db2.gz HJGQGGJCFIMZPQ-UHFFFAOYSA-N 0 2 378.332 2.853 20 5 GFBDLN C[C@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000424216392 563374562 /nfs/dbraw/zinc/37/45/62/563374562.db2.gz SAGIQPUFVWYPDQ-YFKPBYRVSA-N 0 2 377.138 2.586 20 5 GFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(n2cc(Br)cn2)CC1 ZINC000374801839 563382973 /nfs/dbraw/zinc/38/29/73/563382973.db2.gz SYRGXOSPMBXRRX-UHFFFAOYSA-N 0 2 395.213 2.737 20 5 GFBDLN CCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C(F)(F)F ZINC000410406475 563589940 /nfs/dbraw/zinc/58/99/40/563589940.db2.gz VCGNSJPLXSZFTM-UHFFFAOYSA-N 0 2 378.332 2.939 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c(C)cc1[N+](=O)[O-] ZINC000414442037 563738163 /nfs/dbraw/zinc/73/81/63/563738163.db2.gz KRBIEJUTHVMWHP-UHFFFAOYSA-N 0 2 382.345 2.883 20 5 GFBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000442836581 563781548 /nfs/dbraw/zinc/78/15/48/563781548.db2.gz IMUUXJWQPHRXFG-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN Cc1cnc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)o1 ZINC000443377158 563803453 /nfs/dbraw/zinc/80/34/53/563803453.db2.gz XZSZCPOYILKSHY-UHFFFAOYSA-N 0 2 376.188 2.763 20 5 GFBDLN CCc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000566228825 564317829 /nfs/dbraw/zinc/31/78/29/564317829.db2.gz SQNNFXNJACLQTM-UHFFFAOYSA-N 0 2 396.372 2.914 20 5 GFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(Cl)s3)CC2)n1 ZINC000567475647 564373977 /nfs/dbraw/zinc/37/39/77/564373977.db2.gz RPFHJOQMICRSFM-UHFFFAOYSA-N 0 2 382.829 2.725 20 5 GFBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)ccn1 ZINC000460614272 564777323 /nfs/dbraw/zinc/77/73/23/564777323.db2.gz UUOXAAWFYQPGBV-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1C1CC1 ZINC000559750981 564939790 /nfs/dbraw/zinc/93/97/90/564939790.db2.gz BJETYWNDHZJIJS-UHFFFAOYSA-N 0 2 389.436 2.578 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncc(F)c2)c(Br)c1 ZINC000500540548 564956665 /nfs/dbraw/zinc/95/66/65/564956665.db2.gz WYQGCAJYLIEMTM-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC000590598274 565193801 /nfs/dbraw/zinc/19/38/01/565193801.db2.gz SQIBNIDNQBMVJP-UHFFFAOYSA-N 0 2 387.776 2.595 20 5 GFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)nn2C)cc1[N+](=O)[O-] ZINC000596047048 565509590 /nfs/dbraw/zinc/50/95/90/565509590.db2.gz TWVBVVHDBRCGEO-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1C ZINC000603972818 565920664 /nfs/dbraw/zinc/92/06/64/565920664.db2.gz WEHFSIOOLOFHRK-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN CCOc1ccc2nc(Sc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)[nH]c2c1 ZINC000736651874 598497119 /nfs/dbraw/zinc/49/71/19/598497119.db2.gz QUWRIFHNSDGQSG-UHFFFAOYSA-N 0 2 384.381 2.596 20 5 GFBDLN CC(C)(C)c1nc(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])no1 ZINC000829775639 660613682 /nfs/dbraw/zinc/61/36/82/660613682.db2.gz WGEDQTZWUJWYGL-UHFFFAOYSA-N 0 2 378.769 2.869 20 5 GFBDLN Nc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000125547746 654797517 /nfs/dbraw/zinc/79/75/17/654797517.db2.gz OPRDHHGABWWAKR-UHFFFAOYSA-N 0 2 390.190 2.879 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc(Br)nc2)cc1[N+](=O)[O-] ZINC000119377951 655301478 /nfs/dbraw/zinc/30/14/78/655301478.db2.gz WEROBEVSERTOIH-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1C ZINC000778087802 656860532 /nfs/dbraw/zinc/86/05/32/656860532.db2.gz DSWYZKMRTKNYIP-UHFFFAOYSA-N 0 2 389.773 2.522 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC(F)(F)Br ZINC000808572673 659898986 /nfs/dbraw/zinc/89/89/86/659898986.db2.gz CNJNMHLDXBRLJK-UHFFFAOYSA-N 0 2 379.566 2.514 20 5 GFBDLN COC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccco1 ZINC000815021386 660102777 /nfs/dbraw/zinc/10/27/77/660102777.db2.gz FXZOBDVKPRDERW-JTQLQIEISA-N 0 2 378.765 2.646 20 5 GFBDLN COC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000815022327 660102908 /nfs/dbraw/zinc/10/29/08/660102908.db2.gz OHWWAWCJQOPBJR-NSHDSACASA-N 0 2 392.792 2.955 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)c1C ZINC000163638561 551621485 /nfs/dbraw/zinc/62/14/85/551621485.db2.gz FBOOIWMCUSXICM-XMMPIXPASA-N 0 2 382.463 2.891 20 5 GFBDLN O=C(N[C@@H](CO)c1cccc(Br)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183597775 552314015 /nfs/dbraw/zinc/31/40/15/552314015.db2.gz YHTGGTACMBKFEW-LBPRGKRZSA-N 0 2 381.182 2.526 20 5 GFBDLN CCc1cnc(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)o1 ZINC000295097659 563228956 /nfs/dbraw/zinc/22/89/56/563228956.db2.gz GPWHBSYHWGBFAN-UHFFFAOYSA-N 0 2 380.209 2.931 20 5 GFBDLN CCc1cc(C(=O)OC)c(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000424216915 563374439 /nfs/dbraw/zinc/37/44/39/563374439.db2.gz BWNJGECGEJBQTO-UHFFFAOYSA-N 0 2 384.435 2.947 20 5 GFBDLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000432960526 563598301 /nfs/dbraw/zinc/59/83/01/563598301.db2.gz NZRNQIIOBKYCEJ-GFCCVEGCSA-N 0 2 386.817 2.634 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)c1 ZINC000436154602 563665754 /nfs/dbraw/zinc/66/57/54/563665754.db2.gz NKWLTVBGPHJIGW-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(CCO)Cc1cccc(Br)c1 ZINC000436742841 563678587 /nfs/dbraw/zinc/67/85/87/563678587.db2.gz YMDVYKNMVPUPBF-UHFFFAOYSA-N 0 2 395.209 2.698 20 5 GFBDLN O=C(NCc1cn2cc(Br)ccc2n1)c1ccc([N+](=O)[O-])cc1O ZINC000436960867 563686813 /nfs/dbraw/zinc/68/68/13/563686813.db2.gz RVNRXNJQNCLCCK-UHFFFAOYSA-N 0 2 391.181 2.641 20 5 GFBDLN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(Br)c2O)n1 ZINC000436963094 563686862 /nfs/dbraw/zinc/68/68/62/563686862.db2.gz BLWUSUOKUBDPKC-UHFFFAOYSA-N 0 2 375.566 2.702 20 5 GFBDLN CCc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)sc1C(=O)OC ZINC000441387538 563759982 /nfs/dbraw/zinc/75/99/82/563759982.db2.gz QDQSWWITRFVJCT-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cc(Br)nn2C)c1[N+](=O)[O-] ZINC000291954505 563766124 /nfs/dbraw/zinc/76/61/24/563766124.db2.gz FEMSTRJRBCLGOM-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN CCCc1csc(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)n1 ZINC000416414944 563825831 /nfs/dbraw/zinc/82/58/31/563825831.db2.gz GVQVSCYGDUQBHS-UHFFFAOYSA-N 0 2 385.423 2.591 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c1 ZINC000541783686 564289151 /nfs/dbraw/zinc/28/91/51/564289151.db2.gz MWXWCOFRPZRBFH-UHFFFAOYSA-N 0 2 396.372 2.969 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1C ZINC000479997592 564456911 /nfs/dbraw/zinc/45/69/11/564456911.db2.gz WXWKYDMCARNMMI-UHFFFAOYSA-N 0 2 396.372 2.969 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(-n2ccnn2)c1 ZINC000486507260 564655035 /nfs/dbraw/zinc/65/50/35/564655035.db2.gz KYCXICSOAOREIY-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN CCc1ccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000582420542 564846743 /nfs/dbraw/zinc/84/67/43/564846743.db2.gz VMLXECLJQPSNGJ-UHFFFAOYSA-N 0 2 378.332 2.717 20 5 GFBDLN O=C(CC(F)(F)F)NC[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000560724393 564973822 /nfs/dbraw/zinc/97/38/22/564973822.db2.gz MZRFAOYBROZZBH-VIFPVBQESA-N 0 2 379.360 2.577 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)nc1C ZINC000598733453 565638583 /nfs/dbraw/zinc/63/85/83/565638583.db2.gz DQRURMZQIQDGQB-UHFFFAOYSA-N 0 2 385.423 2.564 20 5 GFBDLN CC[C@]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)(C(=O)[O-])c1ccccc1 ZINC000736915945 600130119 /nfs/dbraw/zinc/13/01/19/600130119.db2.gz GGVKYPSJGNFTJW-LJQANCHMSA-N 0 2 387.392 2.522 20 5 GFBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736218690 600292156 /nfs/dbraw/zinc/29/21/56/600292156.db2.gz QMAXEFMLXMTBNJ-PWSUYJOCSA-N 0 2 381.816 2.762 20 5 GFBDLN C[C@@H](NC(=O)[O-])C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000739029604 602447628 /nfs/dbraw/zinc/44/76/28/602447628.db2.gz VUSQHPQRUBMYGE-SNVBAGLBSA-N 0 2 384.820 2.555 20 5 GFBDLN CCN(CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1)C(=O)[O-] ZINC000827093262 603539844 /nfs/dbraw/zinc/53/98/44/603539844.db2.gz MLWLQVXHPVNMKE-UHFFFAOYSA-N 0 2 378.429 2.554 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000825262662 604206211 /nfs/dbraw/zinc/20/62/11/604206211.db2.gz BREKVEUSOCMJFV-WDEREUQCSA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000825262662 604206214 /nfs/dbraw/zinc/20/62/14/604206214.db2.gz BREKVEUSOCMJFV-WDEREUQCSA-N 0 2 384.820 2.555 20 5 GFBDLN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000829684050 660607203 /nfs/dbraw/zinc/60/72/03/660607203.db2.gz GIBKMZAHYQVEID-UHFFFAOYSA-N 0 2 393.805 2.717 20 5 GFBDLN CC(C)(C)n1cnc(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000829781787 660613702 /nfs/dbraw/zinc/61/37/02/660613702.db2.gz KXRSBOHFUADQDG-UHFFFAOYSA-N 0 2 377.785 2.535 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)nc1C(C)C ZINC000830143286 660638156 /nfs/dbraw/zinc/63/81/56/660638156.db2.gz PJJIZGKSUHFRIU-UHFFFAOYSA-N 0 2 391.452 2.824 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nc1C ZINC000066250289 654897959 /nfs/dbraw/zinc/89/79/59/654897959.db2.gz MWPCCUKZQKPUQK-UHFFFAOYSA-N 0 2 385.423 2.564 20 5 GFBDLN CCCc1cnc(NS(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])s1 ZINC000271840011 655096504 /nfs/dbraw/zinc/09/65/04/655096504.db2.gz BHUYSVKSUUMUAK-UHFFFAOYSA-N 0 2 385.423 2.591 20 5 GFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000157846369 655102787 /nfs/dbraw/zinc/10/27/87/655102787.db2.gz CTJLVOSZWUPSGH-UHFFFAOYSA-N 0 2 379.463 2.949 20 5 GFBDLN Cc1nnc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)s1 ZINC000176593128 655250253 /nfs/dbraw/zinc/25/02/53/655250253.db2.gz LQFCTYWAQWOCBW-UHFFFAOYSA-N 0 2 393.244 2.626 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2cccc(Br)n2)cc1[N+](=O)[O-] ZINC000192749080 655406768 /nfs/dbraw/zinc/40/67/68/655406768.db2.gz VFYFLFKIZWGKNO-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN C[C@](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C1CC1)C(F)(F)F ZINC000775211052 656616339 /nfs/dbraw/zinc/61/63/39/656616339.db2.gz WJJKNILADRXHSB-NSHDSACASA-N 0 2 383.304 2.512 20 5 GFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccnc1I ZINC000776199512 656718892 /nfs/dbraw/zinc/71/88/92/656718892.db2.gz HEKGRAHBNWKKPI-UHFFFAOYSA-N 0 2 385.117 2.552 20 5 GFBDLN Cc1nn(C)c(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1C ZINC000107037031 551201726 /nfs/dbraw/zinc/20/17/26/551201726.db2.gz AYFQRMJRNDBDDD-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1Cl ZINC000179966826 552208141 /nfs/dbraw/zinc/20/81/41/552208141.db2.gz YPTFATZTEIXWAC-UHFFFAOYSA-N 0 2 385.829 2.762 20 5 GFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000189294329 552468020 /nfs/dbraw/zinc/46/80/20/552468020.db2.gz PEKZOFDWBYSHCR-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN COC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)sc1C1CC1 ZINC000432363336 563582021 /nfs/dbraw/zinc/58/20/21/563582021.db2.gz ALXAMSBKBJUBFS-UHFFFAOYSA-N 0 2 389.436 2.578 20 5 GFBDLN COC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C1CC1 ZINC000432365619 563582815 /nfs/dbraw/zinc/58/28/15/563582815.db2.gz VVJVENMTTSEQBA-UHFFFAOYSA-N 0 2 383.407 2.516 20 5 GFBDLN O=C(N[C@@H](CO)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436678717 563676707 /nfs/dbraw/zinc/67/67/07/563676707.db2.gz HMZVKGQAGUOMRG-ZDUSSCGKSA-N 0 2 381.182 2.526 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2F)cc([N+](=O)[O-])c1 ZINC000438727832 563709712 /nfs/dbraw/zinc/70/97/12/563709712.db2.gz SKBPWWSPJYHUDN-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)s2)cc([N+](=O)[O-])c1 ZINC000438726606 563709877 /nfs/dbraw/zinc/70/98/77/563709877.db2.gz SKPXFRRIJMBETK-UHFFFAOYSA-N 0 2 376.799 2.897 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000441377471 563759323 /nfs/dbraw/zinc/75/93/23/563759323.db2.gz LLUUEMLAVXOFPU-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN Cc1noc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446989912 563872188 /nfs/dbraw/zinc/87/21/88/563872188.db2.gz OTAXMLLAYQUSEF-UHFFFAOYSA-N 0 2 376.188 2.763 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1C(C)C ZINC000451093914 564272945 /nfs/dbraw/zinc/27/29/45/564272945.db2.gz GKATYIKHQASHAX-UHFFFAOYSA-N 0 2 391.452 2.824 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000521938247 564639903 /nfs/dbraw/zinc/63/99/03/564639903.db2.gz VLMSUPUEUYVFDM-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1nc3ccsc3s1)OCCO2 ZINC000522821222 564657583 /nfs/dbraw/zinc/65/75/83/564657583.db2.gz LTSAOPOIDACLPP-UHFFFAOYSA-N 0 2 399.431 2.838 20 5 GFBDLN Cc1cc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000601460670 565785175 /nfs/dbraw/zinc/78/51/75/565785175.db2.gz KJVXWZYZRYWPMB-WPRPVWTQSA-N 0 2 388.389 2.743 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cnn(-c2ccccn2)c1 ZINC000610058465 566062570 /nfs/dbraw/zinc/06/25/70/566062570.db2.gz FZQVNPPMHJWMDN-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000740097696 599958351 /nfs/dbraw/zinc/95/83/51/599958351.db2.gz RSKRRAWXMWDQKR-NSHDSACASA-N 0 2 387.352 2.535 20 5 GFBDLN CN(CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000739660094 602387957 /nfs/dbraw/zinc/38/79/57/602387957.db2.gz GDSVOVIWDHNOEE-UHFFFAOYSA-N 0 2 384.820 2.509 20 5 GFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000011094987 654495797 /nfs/dbraw/zinc/49/57/97/654495797.db2.gz AVWSSKYSPAURQI-UHFFFAOYSA-N 0 2 375.435 2.722 20 5 GFBDLN Cc1nn2cc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cnc2c1Cl ZINC000770601716 656323887 /nfs/dbraw/zinc/32/38/87/656323887.db2.gz ONIWBRGJSOJGCO-UHFFFAOYSA-N 0 2 385.764 2.539 20 5 GFBDLN COC(=O)c1cncc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000788491466 657729043 /nfs/dbraw/zinc/72/90/43/657729043.db2.gz CDMWDUFZRSEPFQ-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(C)o1 ZINC000795867514 658864141 /nfs/dbraw/zinc/86/41/41/658864141.db2.gz NATZKJINXQIHIY-LLVKDONJSA-N 0 2 392.792 2.955 20 5 GFBDLN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n[nH]1 ZINC000795902942 658869553 /nfs/dbraw/zinc/86/95/53/658869553.db2.gz TVZCGLTUDGXYIY-SSDOTTSWSA-N 0 2 391.812 2.668 20 5 GFBDLN CO[C@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(F)(F)F ZINC000795950632 658876431 /nfs/dbraw/zinc/87/64/31/658876431.db2.gz LJGAKEJWMNBPPE-SECBINFHSA-N 0 2 394.730 2.633 20 5 GFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2cccc(F)c2I)no1 ZINC000842495559 661342113 /nfs/dbraw/zinc/34/21/13/661342113.db2.gz QDKJTTCQXXXTNN-VXNVDRBHSA-N 0 2 389.124 2.537 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000118301317 551214488 /nfs/dbraw/zinc/21/44/88/551214488.db2.gz ZGBBTKMPGAOIIA-UHFFFAOYSA-N 0 2 378.332 2.717 20 5 GFBDLN CC(C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000171149909 551648691 /nfs/dbraw/zinc/64/86/91/551648691.db2.gz YSBRQKMTHMKSSM-UHFFFAOYSA-N 0 2 389.231 2.936 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000182747150 552292262 /nfs/dbraw/zinc/29/22/62/552292262.db2.gz POJPSBPVEXZFLR-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000277653728 563218977 /nfs/dbraw/zinc/21/89/77/563218977.db2.gz NCNNGLLADXDOBE-UHFFFAOYSA-N 0 2 398.135 2.753 20 5 GFBDLN CCOC(=O)c1ncc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000414445916 563738134 /nfs/dbraw/zinc/73/81/34/563738134.db2.gz UETLXCKRFQQMHI-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN COc1c(F)cc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC000488249688 564708049 /nfs/dbraw/zinc/70/80/49/564708049.db2.gz JDUOKYUZRJLJKT-UHFFFAOYSA-N 0 2 376.749 2.902 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(CCC(C)C)s1 ZINC000594725997 565412057 /nfs/dbraw/zinc/41/20/57/565412057.db2.gz JQERXWJAIWNJQV-UHFFFAOYSA-N 0 2 386.455 2.844 20 5 GFBDLN CCn1ncc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000594730019 565413390 /nfs/dbraw/zinc/41/33/90/565413390.db2.gz FZNFQCUAGSYJHG-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2C)c1C ZINC000596044676 565508340 /nfs/dbraw/zinc/50/83/40/565508340.db2.gz GJNNAXGUYPDSAG-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000609818918 566053738 /nfs/dbraw/zinc/05/37/38/566053738.db2.gz ASFCXWBEPDKAOG-UHFFFAOYSA-N 0 2 384.723 2.808 20 5 GFBDLN CC[C@@]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)(C(=O)[O-])c1ccccc1 ZINC000736915941 600129954 /nfs/dbraw/zinc/12/99/54/600129954.db2.gz GGVKYPSJGNFTJW-IBGZPJMESA-N 0 2 387.392 2.522 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740174702 601929218 /nfs/dbraw/zinc/92/92/18/601929218.db2.gz KQDXAPDHUZSMCK-HUUCEWRRSA-N 0 2 390.440 2.839 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740174702 601929219 /nfs/dbraw/zinc/92/92/19/601929219.db2.gz KQDXAPDHUZSMCK-HUUCEWRRSA-N 0 2 390.440 2.839 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000830403662 602198523 /nfs/dbraw/zinc/19/85/23/602198523.db2.gz SAYCWFZMLAXWFE-SMDDNHRTSA-N 0 2 391.453 2.619 20 5 GFBDLN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000830403662 602198525 /nfs/dbraw/zinc/19/85/25/602198525.db2.gz SAYCWFZMLAXWFE-SMDDNHRTSA-N 0 2 391.453 2.619 20 5 GFBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000172894481 655160365 /nfs/dbraw/zinc/16/03/65/655160365.db2.gz PGWGKHUQKYYKMC-XMMPIXPASA-N 0 2 386.426 2.722 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cs1 ZINC000120029435 655325227 /nfs/dbraw/zinc/32/52/27/655325227.db2.gz KVQXTKPKVSLEQN-UHFFFAOYSA-N 0 2 399.841 2.750 20 5 GFBDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000264661676 655468106 /nfs/dbraw/zinc/46/81/06/655468106.db2.gz TVNTXSCGKCRUMU-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)ccc1Cl ZINC000739675472 655694266 /nfs/dbraw/zinc/69/42/66/655694266.db2.gz ZWNOQCGHOCLWLX-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000780404524 657003844 /nfs/dbraw/zinc/00/38/44/657003844.db2.gz GNTVATPNPBYYPV-UHFFFAOYSA-N 0 2 388.398 3.000 20 5 GFBDLN CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)c2cc(Br)cnc21 ZINC000794878700 658630852 /nfs/dbraw/zinc/63/08/52/658630852.db2.gz PKJCTSAEUGAAHX-NYYWCZLTSA-N 0 2 376.166 2.975 20 5 GFBDLN O=C(NC[C@@H](O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1O ZINC000802318794 659478723 /nfs/dbraw/zinc/47/87/23/659478723.db2.gz RMTJLKKBVYVURT-CQSZACIVSA-N 0 2 381.182 2.526 20 5 GFBDLN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000859347461 662155046 /nfs/dbraw/zinc/15/50/46/662155046.db2.gz QDRMBFNNSNAHSP-NSHDSACASA-N 0 2 391.852 2.683 20 5 GFBDLN O=C([O-])[C@@H]1CSCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901888138 663749480 /nfs/dbraw/zinc/74/94/80/663749480.db2.gz RLFWRVMREJVSIJ-ZETCQYMHSA-N 0 2 381.273 2.668 20 5 GFBDLN O=C([O-])[C@@H]1CSCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901888138 663749483 /nfs/dbraw/zinc/74/94/83/663749483.db2.gz RLFWRVMREJVSIJ-ZETCQYMHSA-N 0 2 381.273 2.668 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1C ZINC000118301301 551214735 /nfs/dbraw/zinc/21/47/35/551214735.db2.gz MIZSCJWENDIDFT-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN CNC(=O)c1ccc(C)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000145724649 551396743 /nfs/dbraw/zinc/39/67/43/551396743.db2.gz XMOULYFUPCQCLX-UHFFFAOYSA-N 0 2 383.813 2.717 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Br)nn2C)cc1C ZINC000291925973 563764597 /nfs/dbraw/zinc/76/45/97/563764597.db2.gz BOXFVBCYJXICQQ-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000174608379 552106709 /nfs/dbraw/zinc/10/67/09/552106709.db2.gz PMLXYXLURUFHDC-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN CCc1nnc(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)s1 ZINC000296906475 563307691 /nfs/dbraw/zinc/30/76/91/563307691.db2.gz DZMHRONULSJKSY-UHFFFAOYSA-N 0 2 397.265 2.794 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c([N+](=O)[O-])c1 ZINC000363913762 563737178 /nfs/dbraw/zinc/73/71/78/563737178.db2.gz LUNWRAGZJFZCEF-UHFFFAOYSA-N 0 2 398.447 2.984 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)c1C ZINC000446949832 563871234 /nfs/dbraw/zinc/87/12/34/563871234.db2.gz JWKGWLDROCAXNV-UHFFFAOYSA-N 0 2 379.423 2.859 20 5 GFBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(C3CC3)nn2)c1 ZINC000446969087 563871743 /nfs/dbraw/zinc/87/17/43/563871743.db2.gz FVHDRQLMTPLWCN-UHFFFAOYSA-N 0 2 399.226 2.826 20 5 GFBDLN COC(=O)c1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000508111574 564254883 /nfs/dbraw/zinc/25/48/83/564254883.db2.gz WBDIITDDOQRVHF-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000474303284 564273113 /nfs/dbraw/zinc/27/31/13/564273113.db2.gz BGQWEFMIJQWFGU-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN CCc1oncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000509373567 564294604 /nfs/dbraw/zinc/29/46/04/564294604.db2.gz DOWHFIBWWOSDNF-UHFFFAOYSA-N 0 2 376.188 2.709 20 5 GFBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000543163475 564341112 /nfs/dbraw/zinc/34/11/12/564341112.db2.gz JGQSXFDOFWFNMM-UHFFFAOYSA-N 0 2 386.769 2.541 20 5 GFBDLN CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000451719208 564343417 /nfs/dbraw/zinc/34/34/17/564343417.db2.gz VUCASYNWXPJOMW-APPZFPTMSA-N 0 2 393.195 2.585 20 5 GFBDLN CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000480107517 564460196 /nfs/dbraw/zinc/46/01/96/564460196.db2.gz XDQWNOFFOWTASR-UHFFFAOYSA-N 0 2 386.407 2.642 20 5 GFBDLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000485396847 564614711 /nfs/dbraw/zinc/61/47/11/564614711.db2.gz ZHHHWRNKHIVJBF-UHFFFAOYSA-N 0 2 389.231 2.806 20 5 GFBDLN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000551116389 564638201 /nfs/dbraw/zinc/63/82/01/564638201.db2.gz YVBWWHBXAXZODF-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN COC(=O)c1ccncc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000523460009 564668121 /nfs/dbraw/zinc/66/81/21/564668121.db2.gz GKAAAHODEQDFGF-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN CCO[C@@H](CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000600653904 565740504 /nfs/dbraw/zinc/74/05/04/565740504.db2.gz QFMZXZOKHABOOY-ZDUSSCGKSA-N 0 2 393.259 2.914 20 5 GFBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609445297 566039134 /nfs/dbraw/zinc/03/91/34/566039134.db2.gz PDLUAWDVXYZNRN-UHFFFAOYSA-N 0 2 376.375 2.578 20 5 GFBDLN CN(C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739635278 601855162 /nfs/dbraw/zinc/85/51/62/601855162.db2.gz CONMPYRRICRQTC-NSHDSACASA-N 0 2 384.820 2.509 20 5 GFBDLN CN(C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739635278 601855166 /nfs/dbraw/zinc/85/51/66/601855166.db2.gz CONMPYRRICRQTC-NSHDSACASA-N 0 2 384.820 2.509 20 5 GFBDLN O=C([O-])NC[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000832521194 603465328 /nfs/dbraw/zinc/46/53/28/603465328.db2.gz LNLXBQUBSXCFSC-BBRMVZONSA-N 0 2 388.380 2.764 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000833817225 605678029 /nfs/dbraw/zinc/67/80/29/605678029.db2.gz HAQGOUHKLUSFAR-YVEFUNNKSA-N 0 2 375.381 2.712 20 5 GFBDLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000833817225 605678034 /nfs/dbraw/zinc/67/80/34/605678034.db2.gz HAQGOUHKLUSFAR-YVEFUNNKSA-N 0 2 375.381 2.712 20 5 GFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(C(F)F)c2)c1-c1nn[nH]n1 ZINC000823647909 607155909 /nfs/dbraw/zinc/15/59/09/607155909.db2.gz PTNXJKFUNHOPFI-UHFFFAOYSA-N 0 2 396.335 2.513 20 5 GFBDLN CCc1nc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])co1 ZINC000832478230 660781993 /nfs/dbraw/zinc/78/19/93/660781993.db2.gz JMZMQXMBBCSZJF-UHFFFAOYSA-N 0 2 380.209 2.931 20 5 GFBDLN CCCCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000267727551 654943957 /nfs/dbraw/zinc/94/39/57/654943957.db2.gz YCSLTDQNSMXBHN-UHFFFAOYSA-N 0 2 386.455 2.988 20 5 GFBDLN Cc1[nH]nc2ncc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)cc12 ZINC000180917042 655331309 /nfs/dbraw/zinc/33/13/09/655331309.db2.gz RXMCBIDJMYKORQ-UHFFFAOYSA-N 0 2 381.801 2.937 20 5 GFBDLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000753768393 655858029 /nfs/dbraw/zinc/85/80/29/655858029.db2.gz FLVPQVFBKUJOMA-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(CCc3ccccc3)o2)cs1 ZINC000775103387 656600372 /nfs/dbraw/zinc/60/03/72/656600372.db2.gz WTFOVXOOUVKSRD-UHFFFAOYSA-N 0 2 380.407 2.625 20 5 GFBDLN CS(=O)(=O)c1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Cl ZINC000788061752 657642043 /nfs/dbraw/zinc/64/20/43/657642043.db2.gz IUKCUURQFNSWBZ-UHFFFAOYSA-N 0 2 396.855 2.514 20 5 GFBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000869897890 662665877 /nfs/dbraw/zinc/66/58/77/662665877.db2.gz BKBWAYQYULQCIN-DGCLKSJQSA-N 0 2 381.226 2.509 20 5 GFBDLN Cc1nn(C)c(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1C ZINC000107037096 551201572 /nfs/dbraw/zinc/20/15/72/551201572.db2.gz VERDDQPGKQWSFC-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2n[nH]c3c2cccc3Cl)cc1[N+](=O)[O-] ZINC000153435230 551452820 /nfs/dbraw/zinc/45/28/20/551452820.db2.gz YZQOFXZFPGLYQY-UHFFFAOYSA-N 0 2 382.785 2.934 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c[nH]c1=O ZINC000158290795 551550120 /nfs/dbraw/zinc/55/01/20/551550120.db2.gz OJHLHEMPEMUUPR-UHFFFAOYSA-N 0 2 378.193 2.699 20 5 GFBDLN Cc1c(Br)cc(S(=O)(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000174608286 552106944 /nfs/dbraw/zinc/10/69/44/552106944.db2.gz AFBXYTRBULJHBI-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccncc2)ns1 ZINC000182560057 552287081 /nfs/dbraw/zinc/28/70/81/552287081.db2.gz JWYDIPKKKVCIRJ-UHFFFAOYSA-N 0 2 377.407 2.618 20 5 GFBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000185959751 552375644 /nfs/dbraw/zinc/37/56/44/552375644.db2.gz XISKZBZXVRGQQX-UHFFFAOYSA-N 0 2 382.295 2.595 20 5 GFBDLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000278913910 563276246 /nfs/dbraw/zinc/27/62/46/563276246.db2.gz SIXIAYCTDSEGMG-ZDUSSCGKSA-N 0 2 386.817 2.634 20 5 GFBDLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000392984973 563527813 /nfs/dbraw/zinc/52/78/13/563527813.db2.gz AALVLPXXWHGCRX-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccsc1C(=O)OC ZINC000410404997 563590000 /nfs/dbraw/zinc/59/00/00/563590000.db2.gz HXLDTBIIXXTDGT-UHFFFAOYSA-N 0 2 386.407 2.642 20 5 GFBDLN O=C(N[C@H](CCO)c1ccccc1Br)c1cc([N+](=O)[O-])ccc1O ZINC000436713786 563677562 /nfs/dbraw/zinc/67/75/62/563677562.db2.gz DCUBMMZIAKVXIJ-CQSZACIVSA-N 0 2 395.209 2.916 20 5 GFBDLN Cn1c(=O)[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc21 ZINC000442222484 563769267 /nfs/dbraw/zinc/76/92/67/563769267.db2.gz NRAGZURLAULOLF-UHFFFAOYSA-N 0 2 382.785 2.641 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ncsc2C(C)C)cc1[N+](=O)[O-] ZINC000416962666 563863911 /nfs/dbraw/zinc/86/39/11/563863911.db2.gz QVBGUZCFBSKJEQ-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)cc1[N+](=O)[O-] ZINC000471494859 564195788 /nfs/dbraw/zinc/19/57/88/564195788.db2.gz FSQODQGUAOUMSI-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000564624265 564242552 /nfs/dbraw/zinc/24/25/52/564242552.db2.gz XIHZUKITWNWEJZ-UHFFFAOYSA-N 0 2 380.769 2.521 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c1 ZINC000541790690 564288741 /nfs/dbraw/zinc/28/87/41/564288741.db2.gz JOFVLTZFFMRAFR-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN CNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1Cl ZINC000509605507 564306187 /nfs/dbraw/zinc/30/61/87/564306187.db2.gz WQJGMMREOIGNLU-UHFFFAOYSA-N 0 2 383.813 2.717 20 5 GFBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)c(F)c1)OCCO2 ZINC000476737541 564352165 /nfs/dbraw/zinc/35/21/65/564352165.db2.gz IWRVYAFSVFEJQB-UHFFFAOYSA-N 0 2 388.760 2.959 20 5 GFBDLN CCc1ccc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000567110490 564358274 /nfs/dbraw/zinc/35/82/74/564358274.db2.gz HYKDHPHPGKZLNU-UHFFFAOYSA-N 0 2 378.332 2.710 20 5 GFBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1)OCCO2 ZINC000477404419 564376204 /nfs/dbraw/zinc/37/62/04/564376204.db2.gz VRUMDFKNKRGULF-UHFFFAOYSA-N 0 2 388.760 2.959 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000515693104 564485694 /nfs/dbraw/zinc/48/56/94/564485694.db2.gz SGYPQLDDEUVBFQ-UHFFFAOYSA-N 0 2 379.419 2.748 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2nc3cc(F)c(C)cc3s2)c([N+](=O)[O-])n1 ZINC000481863707 564526010 /nfs/dbraw/zinc/52/60/10/564526010.db2.gz NHVUGRJJVXUMJY-UHFFFAOYSA-N 0 2 385.402 2.669 20 5 GFBDLN C[S@](=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000522357658 564649779 /nfs/dbraw/zinc/64/97/79/564649779.db2.gz ASVNADYLNGEUDC-QHCPKHFHSA-N 0 2 388.854 2.928 20 5 GFBDLN COc1c(F)cc(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1[N+](=O)[O-] ZINC000488226095 564706954 /nfs/dbraw/zinc/70/69/54/564706954.db2.gz CLJGVZDAHCCCTQ-UHFFFAOYSA-N 0 2 376.749 2.902 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1C1CC1 ZINC000577178918 564727975 /nfs/dbraw/zinc/72/79/75/564727975.db2.gz VMEXWOWIRQEYDY-UHFFFAOYSA-N 0 2 383.407 2.516 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000461116236 564789618 /nfs/dbraw/zinc/78/96/18/564789618.db2.gz XXBZLOJBBOIFDW-UHFFFAOYSA-N 0 2 392.618 2.628 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1NC(C)=O ZINC000466957688 564950775 /nfs/dbraw/zinc/95/07/75/564950775.db2.gz LJXHDQGMNVMHFK-UHFFFAOYSA-N 0 2 385.423 2.733 20 5 GFBDLN COC(=O)CCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000466979041 564951981 /nfs/dbraw/zinc/95/19/81/564951981.db2.gz LXLCYUGIKXQLJK-UHFFFAOYSA-N 0 2 384.435 2.871 20 5 GFBDLN CCOC(=O)c1ncc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000500774875 564962256 /nfs/dbraw/zinc/96/22/56/564962256.db2.gz NWTWOQDFZQDLNA-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000611278296 566124468 /nfs/dbraw/zinc/12/44/68/566124468.db2.gz BGJZCTSRUCEVNW-SNVBAGLBSA-N 0 2 383.451 2.963 20 5 GFBDLN O=C([O-])c1cc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC000833097102 600975136 /nfs/dbraw/zinc/97/51/36/600975136.db2.gz FIMINGDXOLQZCK-SFHVURJKSA-N 0 2 399.403 2.523 20 5 GFBDLN Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1-c1nn[nH]n1 ZINC000826304057 607532897 /nfs/dbraw/zinc/53/28/97/607532897.db2.gz UKJLRABWIXMCBI-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN Cc1c(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cccc1[N+](=O)[O-] ZINC000826242702 609524325 /nfs/dbraw/zinc/52/43/25/609524325.db2.gz BILKSMMCLQVEPY-UHFFFAOYSA-N 0 2 394.800 2.538 20 5 GFBDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000268338888 654967484 /nfs/dbraw/zinc/96/74/84/654967484.db2.gz FONILTRNHHYOOK-UHFFFAOYSA-N 0 2 389.231 2.508 20 5 GFBDLN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000174040994 655190474 /nfs/dbraw/zinc/19/04/74/655190474.db2.gz MSDPVOQXMZCDRN-MRVPVSSYSA-N 0 2 388.833 2.968 20 5 GFBDLN Cc1ccc(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2C)c([N+](=O)[O-])c1 ZINC000116712055 655252270 /nfs/dbraw/zinc/25/22/70/655252270.db2.gz QCYHCEZXGFPUSC-DEOSSOPVSA-N 0 2 382.463 2.891 20 5 GFBDLN CCc1csc(NS(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)n1 ZINC000777670958 656832172 /nfs/dbraw/zinc/83/21/72/656832172.db2.gz PUSOSOXZJGCBAC-UHFFFAOYSA-N 0 2 386.411 2.593 20 5 GFBDLN COC[C@@H](NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccco1 ZINC000809824219 659943938 /nfs/dbraw/zinc/94/39/38/659943938.db2.gz LFMRKUIZXNZBTB-SNVBAGLBSA-N 0 2 378.765 2.646 20 5 GFBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000007708351 221007508 /nfs/dbraw/zinc/00/75/08/221007508.db2.gz NYRDFNRZKVIHQB-UHFFFAOYSA-N 0 2 380.378 2.581 20 5 GFBDLN CCNC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000055622797 551173254 /nfs/dbraw/zinc/17/32/54/551173254.db2.gz XQTVWQJTAWFDPY-UHFFFAOYSA-N 0 2 383.813 2.799 20 5 GFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110190336 551202927 /nfs/dbraw/zinc/20/29/27/551202927.db2.gz CZQPNOBCYZXQRB-UHFFFAOYSA-N 0 2 378.797 2.818 20 5 GFBDLN Cc1nnc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000542799722 564326831 /nfs/dbraw/zinc/32/68/31/564326831.db2.gz XOKUYCNREIUVOG-UHFFFAOYSA-N 0 2 383.238 2.540 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2ccn(CCC(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000424077726 563369313 /nfs/dbraw/zinc/36/93/13/563369313.db2.gz BZUKESPRZZUFDP-UHFFFAOYSA-N 0 2 378.332 2.853 20 5 GFBDLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000327606615 563459237 /nfs/dbraw/zinc/45/92/37/563459237.db2.gz JLOSEZNHONLKKU-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000328372633 563461012 /nfs/dbraw/zinc/46/10/12/563461012.db2.gz WAOHDZWVYAJMJS-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN COc1cc(S(=O)(=O)Nc2nc3c(s2)C[C@H](C)CC3)ccc1[N+](=O)[O-] ZINC000332238459 563586302 /nfs/dbraw/zinc/58/63/02/563586302.db2.gz QTXJDLLEOSWSQK-SECBINFHSA-N 0 2 383.451 2.986 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)c(Cl)c1 ZINC000446944429 563870826 /nfs/dbraw/zinc/87/08/26/563870826.db2.gz SLFRYSDRFXXMEC-UHFFFAOYSA-N 0 2 385.814 2.896 20 5 GFBDLN O=C(NCc1cn2cc(Br)ccc2n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507771150 564242787 /nfs/dbraw/zinc/24/27/87/564242787.db2.gz NIHQNZGDPCHTSP-UHFFFAOYSA-N 0 2 391.181 2.641 20 5 GFBDLN COC(=O)c1c(C)csc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000508066503 564251651 /nfs/dbraw/zinc/25/16/51/564251651.db2.gz CCUBKIWSWBHHQL-UHFFFAOYSA-N 0 2 384.435 2.736 20 5 GFBDLN CCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)OC)s2)cc1[N+](=O)[O-] ZINC000566228949 564318186 /nfs/dbraw/zinc/31/81/86/564318186.db2.gz YOXANURAEPIQRC-UHFFFAOYSA-N 0 2 385.423 2.510 20 5 GFBDLN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000514984156 564464797 /nfs/dbraw/zinc/46/47/97/564464797.db2.gz OEJGIEPPGPWOEU-LURJTMIESA-N 0 2 382.345 2.505 20 5 GFBDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000481974288 564530596 /nfs/dbraw/zinc/53/05/96/564530596.db2.gz BLSOETRZWZSNDG-UHFFFAOYSA-N 0 2 385.785 2.713 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000523458646 564667540 /nfs/dbraw/zinc/66/75/40/564667540.db2.gz QMSMNALMNYDFEO-UHFFFAOYSA-N 0 2 391.814 2.682 20 5 GFBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc4c(c3)CCO4)sc2c1 ZINC000556450987 564826506 /nfs/dbraw/zinc/82/65/06/564826506.db2.gz KEHRLBSJTDIKHH-UHFFFAOYSA-N 0 2 377.403 2.940 20 5 GFBDLN CCn1ccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000594702670 565409375 /nfs/dbraw/zinc/40/93/75/565409375.db2.gz RXZVRIQKOKICLW-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(CCC(C)C)s1 ZINC000594727075 565412241 /nfs/dbraw/zinc/41/22/41/565412241.db2.gz WLUSCLWOXFJYCI-UHFFFAOYSA-N 0 2 386.455 2.844 20 5 GFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(F)(F)F)nn2C)c1C ZINC000596048486 565509688 /nfs/dbraw/zinc/50/96/88/565509688.db2.gz ZGISOVQMRFLYNG-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN CC1(c2nc(=NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)s[nH]2)CC1 ZINC000600228221 565718683 /nfs/dbraw/zinc/71/86/83/565718683.db2.gz SKOPYODLKVNPRM-UHFFFAOYSA-N 0 2 383.227 2.935 20 5 GFBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000609494291 566041821 /nfs/dbraw/zinc/04/18/21/566041821.db2.gz CPVJXFMDBIEZNW-UHFFFAOYSA-N 0 2 387.801 2.781 20 5 GFBDLN CC(C)c1nc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000611498380 566134236 /nfs/dbraw/zinc/13/42/36/566134236.db2.gz MYHFLNZKAIWPPN-UHFFFAOYSA-N 0 2 391.203 2.665 20 5 GFBDLN C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000237760767 601393859 /nfs/dbraw/zinc/39/38/59/601393859.db2.gz MEISMMYINSIFBV-ACJLOTCBSA-N 0 2 394.387 2.972 20 5 GFBDLN O=C([O-])Nc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000834269356 605607528 /nfs/dbraw/zinc/60/75/28/605607528.db2.gz UHCDBJPTCRYJMY-UHFFFAOYSA-N 0 2 384.392 2.643 20 5 GFBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833827334 605889345 /nfs/dbraw/zinc/88/93/45/605889345.db2.gz AUAXDIUCNQZTNX-MXWKQRLJSA-N 0 2 384.820 2.553 20 5 GFBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833827334 605889348 /nfs/dbraw/zinc/88/93/48/605889348.db2.gz AUAXDIUCNQZTNX-MXWKQRLJSA-N 0 2 384.820 2.553 20 5 GFBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000830833517 660682758 /nfs/dbraw/zinc/68/27/58/660682758.db2.gz QRFSJKUUJOXSFY-ZDUSSCGKSA-N 0 2 379.722 2.531 20 5 GFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010720888 654493317 /nfs/dbraw/zinc/49/33/17/654493317.db2.gz ZWVJPFRUZOKMNS-UHFFFAOYSA-N 0 2 378.797 2.818 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c(Cl)c1 ZINC000047522095 654696383 /nfs/dbraw/zinc/69/63/83/654696383.db2.gz SIVDJNKYILMLOG-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000132089388 654926390 /nfs/dbraw/zinc/92/63/90/654926390.db2.gz APKBCCVHXGHKTG-UHFFFAOYSA-N 0 2 390.190 2.879 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c1C ZINC000268740465 654985095 /nfs/dbraw/zinc/98/50/95/654985095.db2.gz XVBHCUAWNBKNID-UHFFFAOYSA-N 0 2 396.372 2.969 20 5 GFBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000172884755 655160284 /nfs/dbraw/zinc/16/02/84/655160284.db2.gz YMVUXIKLJREVSP-UHFFFAOYSA-N 0 2 387.776 2.595 20 5 GFBDLN Cc1cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)c(C)cc1[N+](=O)[O-] ZINC000840947458 661215068 /nfs/dbraw/zinc/21/50/68/661215068.db2.gz JOBWTFYBQNHEGW-UHFFFAOYSA-N 0 2 380.304 2.500 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3ccccc3)s2)cs1 ZINC000768861806 656256888 /nfs/dbraw/zinc/25/68/88/656256888.db2.gz DTGUTSJPVRMUCX-UHFFFAOYSA-N 0 2 382.448 2.899 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(CC(F)(F)F)o1 ZINC000775100161 656599086 /nfs/dbraw/zinc/59/90/86/656599086.db2.gz AUSQMAIGIPAJSB-UHFFFAOYSA-N 0 2 380.304 2.500 20 5 GFBDLN Cc1nc(Cl)ccc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000788495647 657730283 /nfs/dbraw/zinc/73/02/83/657730283.db2.gz SZBOKJVIJSQFSF-UHFFFAOYSA-N 0 2 385.785 2.524 20 5 GFBDLN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000795339031 658807855 /nfs/dbraw/zinc/80/78/55/658807855.db2.gz HMYNQDGJJVIHLR-UHFFFAOYSA-N 0 2 394.153 2.831 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000005403183 551097470 /nfs/dbraw/zinc/09/74/70/551097470.db2.gz NCCVYSHYNIUELI-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN CCc1ncc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000161896603 551600093 /nfs/dbraw/zinc/60/00/93/551600093.db2.gz ISMRUYNHOBAIRP-UHFFFAOYSA-N 0 2 387.215 2.511 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181332366 552253548 /nfs/dbraw/zinc/25/35/48/552253548.db2.gz DFGAZBTVESJRMG-UHFFFAOYSA-N 0 2 377.300 2.818 20 5 GFBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000327876997 563459982 /nfs/dbraw/zinc/45/99/82/563459982.db2.gz NQNBZEDOURUBMV-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000290605532 563715720 /nfs/dbraw/zinc/71/57/20/563715720.db2.gz ZRCGQHWCEJESCM-UHFFFAOYSA-N 0 2 378.332 2.717 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccsc2)s1 ZINC000366179904 563800736 /nfs/dbraw/zinc/80/07/36/563800736.db2.gz RLLAPJICDUAMKZ-UHFFFAOYSA-N 0 2 398.447 2.984 20 5 GFBDLN CC(C)(NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000451027225 564264726 /nfs/dbraw/zinc/26/47/26/564264726.db2.gz AMNDVSFRXFXGKP-UHFFFAOYSA-N 0 2 391.165 2.977 20 5 GFBDLN O=C([O-])c1cnc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 ZINC000576826146 564720345 /nfs/dbraw/zinc/72/03/45/564720345.db2.gz MFVJMIGZKCPIOP-UHFFFAOYSA-N 0 2 382.829 2.725 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000461111147 564790166 /nfs/dbraw/zinc/79/01/66/564790166.db2.gz GYTKGEGAGVOMLU-UHFFFAOYSA-N 0 2 392.618 2.628 20 5 GFBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736218689 600292237 /nfs/dbraw/zinc/29/22/37/600292237.db2.gz QMAXEFMLXMTBNJ-JQWIXIFHSA-N 0 2 381.816 2.762 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825264376 604237719 /nfs/dbraw/zinc/23/77/19/604237719.db2.gz KCFWWISHZCZPDM-MNOVXSKESA-N 0 2 384.820 2.555 20 5 GFBDLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000825264376 604237722 /nfs/dbraw/zinc/23/77/22/604237722.db2.gz KCFWWISHZCZPDM-MNOVXSKESA-N 0 2 384.820 2.555 20 5 GFBDLN CCCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821142131 607153605 /nfs/dbraw/zinc/15/36/05/607153605.db2.gz FBXVGBUZONCGPX-UHFFFAOYSA-N 0 2 388.409 2.528 20 5 GFBDLN CCc1csc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000066737638 654913851 /nfs/dbraw/zinc/91/38/51/654913851.db2.gz RBJIMWXFNICUMJ-UHFFFAOYSA-N 0 2 392.256 3.177 20 5 GFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1coc(Br)c1 ZINC000103201765 655069174 /nfs/dbraw/zinc/06/91/74/655069174.db2.gz BKRLZAJLPLPKNO-UHFFFAOYSA-N 0 2 378.142 2.988 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)ccc1Cl ZINC000118301242 655274470 /nfs/dbraw/zinc/27/44/70/655274470.db2.gz QHYHBSJRWAALEW-UHFFFAOYSA-N 0 2 384.723 2.808 20 5 GFBDLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120209345 655331304 /nfs/dbraw/zinc/33/13/04/655331304.db2.gz RBTAXVBHMNBRHV-JTQLQIEISA-N 0 2 383.451 2.985 20 5 GFBDLN Cc1cc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cnc1Cl ZINC000754267338 655865807 /nfs/dbraw/zinc/86/58/07/655865807.db2.gz NJYMSNGLYSQCBQ-UHFFFAOYSA-N 0 2 385.785 2.524 20 5 GFBDLN Cc1sc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000767440521 656202994 /nfs/dbraw/zinc/20/29/94/656202994.db2.gz UOGYKJAXHQWGCG-UHFFFAOYSA-N 0 2 383.451 2.602 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000028241366 551123523 /nfs/dbraw/zinc/12/35/23/551123523.db2.gz OOHXLTGOCQBFGT-UHFFFAOYSA-N 0 2 382.419 2.904 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3ccnn3)c2)c(Cl)c1 ZINC000130478515 551365367 /nfs/dbraw/zinc/36/53/67/551365367.db2.gz IOJVQGHWBGTCQY-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cncc(Br)c1 ZINC000158234086 551548975 /nfs/dbraw/zinc/54/89/75/551548975.db2.gz DJPJZRJGTKAUGH-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000185958315 552375672 /nfs/dbraw/zinc/37/56/72/552375672.db2.gz SNJZHAVVXKAWEX-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN COCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000284981270 563497349 /nfs/dbraw/zinc/49/73/49/563497349.db2.gz DQMLRLMSPHHAGR-UHFFFAOYSA-N 0 2 377.831 2.960 20 5 GFBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(OC2COC2)cc1 ZINC000436165006 563666470 /nfs/dbraw/zinc/66/64/70/563666470.db2.gz MBZIKRFDVKBYEP-UHFFFAOYSA-N 0 2 384.797 2.827 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)c(Cl)c1 ZINC000362672052 563708559 /nfs/dbraw/zinc/70/85/59/563708559.db2.gz XQKZPFFFIBTUGS-UHFFFAOYSA-N 0 2 379.785 2.834 20 5 GFBDLN CCc1nn(C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414387996 563732379 /nfs/dbraw/zinc/73/23/79/563732379.db2.gz ZKLWLSCSARULIV-UHFFFAOYSA-N 0 2 378.332 2.710 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2scnc2C(C)C)cc1[N+](=O)[O-] ZINC000416965083 563864319 /nfs/dbraw/zinc/86/43/19/563864319.db2.gz UJAWLZVETOQTTM-UHFFFAOYSA-N 0 2 385.423 2.762 20 5 GFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)cc1[N+](=O)[O-] ZINC000446968398 563871545 /nfs/dbraw/zinc/87/15/45/563871545.db2.gz YVZAIYJAWOEQHW-UHFFFAOYSA-N 0 2 386.817 2.935 20 5 GFBDLN CC(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000542220225 564304659 /nfs/dbraw/zinc/30/46/59/564304659.db2.gz XXIMUGKXGMNWLI-UHFFFAOYSA-N 0 2 388.496 2.680 20 5 GFBDLN CC(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000542220225 564304665 /nfs/dbraw/zinc/30/46/65/564304665.db2.gz XXIMUGKXGMNWLI-UHFFFAOYSA-N 0 2 388.496 2.680 20 5 GFBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000477399036 564375045 /nfs/dbraw/zinc/37/50/45/564375045.db2.gz ARVYKRUMLBKSCA-UHFFFAOYSA-N 0 2 388.760 2.975 20 5 GFBDLN CCOc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1CO ZINC000520101929 564597315 /nfs/dbraw/zinc/59/73/15/564597315.db2.gz GANBQQQJNWCYIA-UHFFFAOYSA-N 0 2 386.813 2.940 20 5 GFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc(Cc2ccsc2)o1 ZINC000577259787 564731528 /nfs/dbraw/zinc/73/15/28/564731528.db2.gz HNTHJMKZTQRTRI-UHFFFAOYSA-N 0 2 380.407 2.739 20 5 GFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000582698783 564857445 /nfs/dbraw/zinc/85/74/45/564857445.db2.gz ZYONLIVJBZRDFD-UHFFFAOYSA-N 0 2 381.801 2.654 20 5 GFBDLN CS(=O)(=O)Nc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1Cl ZINC000536193781 565032217 /nfs/dbraw/zinc/03/22/17/565032217.db2.gz UHTISQXOAYNVIN-UHFFFAOYSA-N 0 2 385.785 2.578 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(CCC(C)C)s1 ZINC000594725673 565411544 /nfs/dbraw/zinc/41/15/44/565411544.db2.gz DGAIHUDQUKYZFB-UHFFFAOYSA-N 0 2 386.455 2.844 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000609394433 566038948 /nfs/dbraw/zinc/03/89/48/566038948.db2.gz VUYOOTXRVWBMQI-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737337475 600593834 /nfs/dbraw/zinc/59/38/34/600593834.db2.gz ZRRUHAZFTBTCKO-KRWDZBQOSA-N 0 2 380.360 2.678 20 5 GFBDLN Cc1cccn2cc(CCNc3c(C(=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])[nH+]c12 ZINC000832981580 601200798 /nfs/dbraw/zinc/20/07/98/601200798.db2.gz CIJCPNGMAVFVBC-UHFFFAOYSA-N 0 2 385.336 2.812 20 5 GFBDLN COc1ncccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000129930289 654877777 /nfs/dbraw/zinc/87/77/77/654877777.db2.gz LYAHHCPGWIDMCQ-UHFFFAOYSA-N 0 2 388.199 2.562 20 5 GFBDLN CCc1nn(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000271348444 655077154 /nfs/dbraw/zinc/07/71/54/655077154.db2.gz FRRICJQWAXJZRF-UHFFFAOYSA-N 0 2 378.332 2.710 20 5 GFBDLN COc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c([N+](=O)[O-])c1 ZINC000473757256 655414132 /nfs/dbraw/zinc/41/41/32/655414132.db2.gz FFSIZEZEYPAHSV-UHFFFAOYSA-N 0 2 383.329 2.880 20 5 GFBDLN O=C(NCCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000578043968 655471814 /nfs/dbraw/zinc/47/18/14/655471814.db2.gz YTNCVJBBZZOSGP-UHFFFAOYSA-N 0 2 382.825 2.842 20 5 GFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000749161547 655801198 /nfs/dbraw/zinc/80/11/98/655801198.db2.gz CUAMLGRLSMUWST-UHFFFAOYSA-N 0 2 379.785 2.630 20 5 GFBDLN Cc1cc(Cl)ncc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000764550201 656113520 /nfs/dbraw/zinc/11/35/20/656113520.db2.gz KGQFXTINDAIUNV-UHFFFAOYSA-N 0 2 385.785 2.524 20 5 GFBDLN Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768860746 656256900 /nfs/dbraw/zinc/25/69/00/656256900.db2.gz BPPSFFJGEIYBNS-UHFFFAOYSA-N 0 2 397.463 2.737 20 5 GFBDLN CCO[C@H](CS(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000863405747 662327687 /nfs/dbraw/zinc/32/76/87/662327687.db2.gz GQWBUEWKMVEADP-CYBMUJFWSA-N 0 2 393.259 2.914 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)cc1 ZINC000127654256 551343088 /nfs/dbraw/zinc/34/30/88/551343088.db2.gz HHSIRENSBHEUQA-UHFFFAOYSA-N 0 2 382.467 2.838 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncc(Br)c2)c(F)c1 ZINC000158220499 551548688 /nfs/dbraw/zinc/54/86/88/551548688.db2.gz BVMBFAAPJQGDRA-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cncc(I)c1 ZINC000166194614 551630960 /nfs/dbraw/zinc/63/09/60/551630960.db2.gz NKVKYRMDZYKGPU-UHFFFAOYSA-N 0 2 385.117 2.552 20 5 GFBDLN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000174041201 552097466 /nfs/dbraw/zinc/09/74/66/552097466.db2.gz JKISJERFWMVZIK-QMMMGPOBSA-N 0 2 388.833 2.968 20 5 GFBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000185960290 552375874 /nfs/dbraw/zinc/37/58/74/552375874.db2.gz GQFSSLBGMIITQO-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)c1[N+](=O)[O-] ZINC000189327238 552468604 /nfs/dbraw/zinc/46/86/04/552468604.db2.gz BMDAESOQWVTZMH-XMMPIXPASA-N 0 2 382.463 2.891 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000191567069 552532061 /nfs/dbraw/zinc/53/20/61/552532061.db2.gz QCXUOXKPDGCNNA-UHFFFAOYSA-N 0 2 378.332 2.771 20 5 GFBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000375716590 563416389 /nfs/dbraw/zinc/41/63/89/563416389.db2.gz LMUVFZBSPCDSNY-UHFFFAOYSA-N 0 2 387.464 2.650 20 5 GFBDLN COc1ccncc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000431575874 563563383 /nfs/dbraw/zinc/56/33/83/563563383.db2.gz DRFJNNAXBXBELO-UHFFFAOYSA-N 0 2 392.220 2.784 20 5 GFBDLN CCn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C(F)(F)F ZINC000410400529 563589998 /nfs/dbraw/zinc/58/99/98/563589998.db2.gz CGERFMRCBODURZ-UHFFFAOYSA-N 0 2 378.332 2.939 20 5 GFBDLN C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000290433237 563709369 /nfs/dbraw/zinc/70/93/69/563709369.db2.gz KGFLLNBABJXHEN-LAEOZQHASA-N 0 2 379.360 2.574 20 5 GFBDLN CSc1ccc(-c2nsc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000539023358 564207351 /nfs/dbraw/zinc/20/73/51/564207351.db2.gz AWMXBMPTAIIMQN-UHFFFAOYSA-N 0 2 376.423 2.821 20 5 GFBDLN CC(C)(CO)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000564255130 564226844 /nfs/dbraw/zinc/22/68/44/564226844.db2.gz JHPCLCIPQUDDAT-AWEZNQCLSA-N 0 2 388.442 2.834 20 5 GFBDLN Cc1csc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000481860610 564525745 /nfs/dbraw/zinc/52/57/45/564525745.db2.gz BHDFBPRNRWNMGG-UHFFFAOYSA-N 0 2 378.229 2.923 20 5 GFBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)CCOCC(F)(F)F)c1 ZINC000519491453 564578783 /nfs/dbraw/zinc/57/87/83/564578783.db2.gz VMVOMJXXIHPRNG-UHFFFAOYSA-N 0 2 394.274 2.517 20 5 GFBDLN COC(=O)c1ccnc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000522901282 564659490 /nfs/dbraw/zinc/65/94/90/564659490.db2.gz ICYUQBLSIXCZAP-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000463463077 564882771 /nfs/dbraw/zinc/88/27/71/564882771.db2.gz SBRYFOKPWSKVOG-UHFFFAOYSA-N 0 2 385.785 2.539 20 5 GFBDLN COC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000469025770 565003529 /nfs/dbraw/zinc/00/35/29/565003529.db2.gz SPGPAGMMYJIWKM-NSHDSACASA-N 0 2 390.826 2.502 20 5 GFBDLN O=C(N[C@H](CO)c1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000584547466 565086346 /nfs/dbraw/zinc/08/63/46/565086346.db2.gz AUPOEMXNZXYFPV-GFCCVEGCSA-N 0 2 399.172 2.665 20 5 GFBDLN COC(=O)c1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1C ZINC000619466498 565342709 /nfs/dbraw/zinc/34/27/09/565342709.db2.gz QVTKLLCZIXMLSY-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN CCO[C@H](CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000600653900 565740550 /nfs/dbraw/zinc/74/05/50/565740550.db2.gz QFMZXZOKHABOOY-CYBMUJFWSA-N 0 2 393.259 2.914 20 5 GFBDLN CCn1nc(C)cc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000600670446 565744844 /nfs/dbraw/zinc/74/48/44/565744844.db2.gz VASHGAFMURHCIO-UHFFFAOYSA-N 0 2 389.231 2.683 20 5 GFBDLN COc1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(OC)n1 ZINC000604471189 565929443 /nfs/dbraw/zinc/92/94/43/565929443.db2.gz GACDCOVWHZZZSX-UHFFFAOYSA-N 0 2 387.801 2.770 20 5 GFBDLN CCn1cc(S(=O)(=O)Nc2nc3c(s2)c(C)ccc3C)c([N+](=O)[O-])n1 ZINC000611028784 566112729 /nfs/dbraw/zinc/11/27/29/566112729.db2.gz ISCZPUSFABUIFF-UHFFFAOYSA-N 0 2 381.439 2.839 20 5 GFBDLN C[C@H](c1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000736718629 599765546 /nfs/dbraw/zinc/76/55/46/599765546.db2.gz TYNODORWUGAWOH-CYBMUJFWSA-N 0 2 399.403 2.939 20 5 GFBDLN O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000740200554 600042210 /nfs/dbraw/zinc/04/22/10/600042210.db2.gz AFGILYICPSSBLK-UHFFFAOYSA-N 0 2 378.344 2.635 20 5 GFBDLN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833109368 601541723 /nfs/dbraw/zinc/54/17/23/601541723.db2.gz WSBLDTRABFYKRK-KRWDZBQOSA-N 0 2 389.795 2.871 20 5 GFBDLN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833109368 601541726 /nfs/dbraw/zinc/54/17/26/601541726.db2.gz WSBLDTRABFYKRK-KRWDZBQOSA-N 0 2 389.795 2.871 20 5 GFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc3ccccc32)c1-c1nn[nH]n1 ZINC000823647109 607154261 /nfs/dbraw/zinc/15/42/61/607154261.db2.gz GAERXMGJPOERKF-UHFFFAOYSA-N 0 2 396.388 2.729 20 5 GFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1noc(-c2cccs2)n1 ZINC000619507614 652988266 /nfs/dbraw/zinc/98/82/66/652988266.db2.gz SLEPLSADTDSKCW-UHFFFAOYSA-N 0 2 382.379 2.516 20 5 GFBDLN Cc1c(Br)c(N2CCC[C@H](C3N=NC(=O)O3)C2)ncc1[N+](=O)[O-] ZINC000579538807 655501134 /nfs/dbraw/zinc/50/11/34/655501134.db2.gz LFQNVYCVQZLTPD-QMMMGPOBSA-N 0 2 384.190 2.533 20 5 GFBDLN CC(C)(C)OC(=O)c1cncc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000848700503 661676038 /nfs/dbraw/zinc/67/60/38/661676038.db2.gz HLKZPQMQIXWGDP-UHFFFAOYSA-N 0 2 385.423 2.807 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)c(Cl)c1 ZINC000126289190 551327730 /nfs/dbraw/zinc/32/77/30/551327730.db2.gz CQAJQSJHGFUZEJ-UHFFFAOYSA-N 0 2 397.825 2.963 20 5 GFBDLN CC(C)n1cc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000129824186 551360092 /nfs/dbraw/zinc/36/00/92/551360092.db2.gz SGUIEDAFOJLYHY-UHFFFAOYSA-N 0 2 389.231 2.936 20 5 GFBDLN O=C(N[C@@H](CO)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1O ZINC000185935675 552374497 /nfs/dbraw/zinc/37/44/97/552374497.db2.gz YJDBMFGFAMKUPW-ZDUSSCGKSA-N 0 2 381.182 2.526 20 5 GFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccsc2)s1 ZINC000371934502 563291967 /nfs/dbraw/zinc/29/19/67/563291967.db2.gz USLSDSNHSGQNPY-UHFFFAOYSA-N 0 2 398.447 2.984 20 5 GFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1c[nH]nc1-c1nccs1 ZINC000446971253 563871739 /nfs/dbraw/zinc/87/17/39/563871739.db2.gz DLYKVOJBPPXFID-UHFFFAOYSA-N 0 2 379.423 2.859 20 5 GFBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])oc1C ZINC000476438663 564340077 /nfs/dbraw/zinc/34/00/77/564340077.db2.gz RVNZLMQGXNMWRX-UHFFFAOYSA-N 0 2 389.773 2.522 20 5 GFBDLN CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000515631882 564483920 /nfs/dbraw/zinc/48/39/20/564483920.db2.gz DFEWLHJDHCBCKT-UHFFFAOYSA-N 0 2 383.813 2.799 20 5 GFBDLN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000486650337 564661491 /nfs/dbraw/zinc/66/14/91/564661491.db2.gz XZKNNSUPNJRJBT-BDAKNGLRSA-N 0 2 387.849 2.919 20 5 GFBDLN CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000491089496 564786400 /nfs/dbraw/zinc/78/64/00/564786400.db2.gz GCVYIPOUDSZDEP-UHFFFAOYSA-N 0 2 383.813 2.751 20 5 GFBDLN CCc1n[nH]c(=NCc2cc(I)cc([N+](=O)[O-])c2)s1 ZINC000581581279 564809053 /nfs/dbraw/zinc/80/90/53/564809053.db2.gz TVWPNIUSXOMHEY-UHFFFAOYSA-N 0 2 390.206 2.647 20 5 GFBDLN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466965775 564951659 /nfs/dbraw/zinc/95/16/59/564951659.db2.gz WQSXGQZCOACPPC-UHFFFAOYSA-N 0 2 385.423 2.733 20 5 GFBDLN O=C(CC(F)(F)F)NC[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000560724392 564973850 /nfs/dbraw/zinc/97/38/50/564973850.db2.gz MZRFAOYBROZZBH-SECBINFHSA-N 0 2 379.360 2.577 20 5 GFBDLN CO[C@H](CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(C)C ZINC000592352712 565271622 /nfs/dbraw/zinc/27/16/22/565271622.db2.gz FNVLFWKRPFWXGD-GFCCVEGCSA-N 0 2 381.248 2.770 20 5 GFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(F)(F)F)nn2C)cc1C ZINC000596045218 565509356 /nfs/dbraw/zinc/50/93/56/565509356.db2.gz LOTRSVLWYMBGGJ-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000600637895 565739415 /nfs/dbraw/zinc/73/94/15/565739415.db2.gz YYIYBFHWGSENNL-UHFFFAOYSA-N 0 2 378.332 2.765 20 5 GFBDLN CCc1cnc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000611498223 566133710 /nfs/dbraw/zinc/13/37/10/566133710.db2.gz OQQPWXKQMXLDDV-UHFFFAOYSA-N 0 2 376.188 2.709 20 5 GFBDLN O=C([O-])c1ccc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000833105958 601037683 /nfs/dbraw/zinc/03/76/83/601037683.db2.gz NIJBQEKQZFWRAR-UHFFFAOYSA-N 0 2 399.403 2.775 20 5 GFBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000830833308 660682749 /nfs/dbraw/zinc/68/27/49/660682749.db2.gz ONFQNPJIJFGHJY-CYBMUJFWSA-N 0 2 379.722 2.531 20 5 GFBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000830840678 660683034 /nfs/dbraw/zinc/68/30/34/660683034.db2.gz KZYFKFDKWSHPJJ-ZDUSSCGKSA-N 0 2 379.722 2.531 20 5 GFBDLN CCOC(=O)c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000066247214 654897614 /nfs/dbraw/zinc/89/76/14/654897614.db2.gz PCXIODKFGGXQMF-UHFFFAOYSA-N 0 2 385.423 2.646 20 5 GFBDLN CN(C1=NC(=O)C(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1)C1CC1 ZINC000273344447 655139709 /nfs/dbraw/zinc/13/97/09/655139709.db2.gz OGSOHZQPIPSMIJ-GFCCVEGCSA-N 0 2 382.829 2.669 20 5 GFBDLN C[S@](=O)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000115312860 655234401 /nfs/dbraw/zinc/23/44/01/655234401.db2.gz GFKLJEOYHJQYOE-HSZRJFAPSA-N 0 2 388.854 2.928 20 5 GFBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000759646364 655960760 /nfs/dbraw/zinc/96/07/60/655960760.db2.gz ZTCWKIDSTLDONA-UHFFFAOYSA-N 0 2 380.344 2.687 20 5 GFBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cs1 ZINC000768866133 656257654 /nfs/dbraw/zinc/25/76/54/656257654.db2.gz PHBMYFHXNIEKPX-UHFFFAOYSA-N 0 2 376.799 2.897 20 5 GFBDLN O=C(OCCCNC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000774958383 656575293 /nfs/dbraw/zinc/57/52/93/656575293.db2.gz CXKONOAIRUGWMJ-UHFFFAOYSA-N 0 2 399.119 2.583 20 5 GFBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1C(N)=O ZINC000795316202 658804583 /nfs/dbraw/zinc/80/45/83/658804583.db2.gz KBDQNZRJEVZAOB-UHFFFAOYSA-N 0 2 387.776 2.595 20 5 GFBDLN COc1ccc(Cc2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c(Br)c1OC ZINC000842491543 661341997 /nfs/dbraw/zinc/34/19/97/661341997.db2.gz UDNMUIXGXAAVLK-RKDXNWHRSA-N 0 2 384.186 2.573 20 5 GFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C3CCOCC3)n[nH]2)ccc1Cl ZINC000126897647 551334235 /nfs/dbraw/zinc/33/42/35/551334235.db2.gz RFKMBKSLSPXKFO-UHFFFAOYSA-N 0 2 386.817 2.666 20 5 GFBDLN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2nc(C3CCOCC3)cs2)c1 ZINC000375711605 563415260 /nfs/dbraw/zinc/41/52/60/563415260.db2.gz RHMSAJYIDBRUFE-UHFFFAOYSA-N 0 2 383.451 2.887 20 5 GFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(Cc2ccsc2)o1 ZINC000446969130 563871793 /nfs/dbraw/zinc/87/17/93/563871793.db2.gz GIGWNTRFCZCMIR-UHFFFAOYSA-N 0 2 380.407 2.739 20 5 GFBDLN O=C1Cc2cc(S(=O)(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c(Cl)cc2N1 ZINC000475835683 564322147 /nfs/dbraw/zinc/32/21/47/564322147.db2.gz RVFMXVRQMZMXKK-UHFFFAOYSA-N 0 2 385.760 2.683 20 5 GFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000461116418 564791106 /nfs/dbraw/zinc/79/11/06/564791106.db2.gz XCWURIYWUGHRAW-UHFFFAOYSA-N 0 2 381.719 2.885 20 5 GFBDLN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1cncc(F)c1 ZINC000500540545 564957043 /nfs/dbraw/zinc/95/70/43/564957043.db2.gz WWLSNROXAFVULR-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000468935291 565000128 /nfs/dbraw/zinc/00/01/28/565000128.db2.gz MVMDJZIZSCPXRS-LBPRGKRZSA-N 0 2 390.826 2.502 20 5 GFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)c(Cl)c1 ZINC000609848794 566055153 /nfs/dbraw/zinc/05/51/53/566055153.db2.gz CKJGKYMZHBIOES-UHFFFAOYSA-N 0 2 396.837 2.989 20 5 GFBDLN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000611278295 566124220 /nfs/dbraw/zinc/12/42/20/566124220.db2.gz BGJZCTSRUCEVNW-JTQLQIEISA-N 0 2 383.451 2.963 20 5 GFBDLN COC(=O)c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000611443599 566130514 /nfs/dbraw/zinc/13/05/14/566130514.db2.gz HGVVMEKQLKGNFB-UHFFFAOYSA-N 0 2 386.407 2.561 20 5 GFBDLN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)Nc2ccc(F)nc2)c1 ZINC000131237163 654899951 /nfs/dbraw/zinc/89/99/51/654899951.db2.gz PKXAGDMVOZYSGN-UHFFFAOYSA-N 0 2 376.163 2.692 20 5 GFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000268712502 654983898 /nfs/dbraw/zinc/98/38/98/654983898.db2.gz KWSKPMFSKHJJQU-UHFFFAOYSA-N 0 2 382.345 2.660 20 5 GFBDLN CCc1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cn1 ZINC000161890002 655128906 /nfs/dbraw/zinc/12/89/06/655128906.db2.gz VMOSKJSGAKKBCJ-UHFFFAOYSA-N 0 2 387.215 2.511 20 5 GFBDLN COCCc1ccnc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000284996782 655342576 /nfs/dbraw/zinc/34/25/76/655342576.db2.gz FTTCEYKNFBINCZ-UHFFFAOYSA-N 0 2 385.829 2.941 20 5 GFBDLN NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 ZINC000791431482 658097425 /nfs/dbraw/zinc/09/74/25/658097425.db2.gz HJLWGRHHOGGYTC-UHFFFAOYSA-N 0 2 390.204 2.801 20 5 GFBDLN O=C([O-])CC[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000901682563 663741855 /nfs/dbraw/zinc/74/18/55/663741855.db2.gz RRRJVZVLHPMJBN-NSHDSACASA-N 0 2 387.230 2.813 20 5 GFBDLN O=C([O-])CC[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000901682563 663741856 /nfs/dbraw/zinc/74/18/56/663741856.db2.gz RRRJVZVLHPMJBN-NSHDSACASA-N 0 2 387.230 2.813 20 5 GFBDLN