smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C[C@@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301146245 970771034 /nfs/dbraw/zinc/77/10/34/970771034.db2.gz AYFJIBGJBKZSTB-INIZCTEOSA-N -1 3 419.503 3.628 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@](C)(CO)C3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301682100 971025841 /nfs/dbraw/zinc/02/58/41/971025841.db2.gz TXKJOAFZWZZVGK-HXUWFJFHSA-N -1 3 419.503 3.585 20 5 HHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H](c2cccc(F)c2)c2ccccn2)s1 ZINC000301941965 971126933 /nfs/dbraw/zinc/12/69/33/971126933.db2.gz WOOVBGPCMRAVCO-MRXNPFEDSA-N -1 3 407.448 3.795 20 5 HHBDHM CO[C@@H]1CC[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1 ZINC000302779533 971316545 /nfs/dbraw/zinc/31/65/45/971316545.db2.gz QSYLGHQNUWDBGH-JKSUJKDBSA-N -1 3 419.503 3.992 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Br)s1 ZINC000028060160 965031211 /nfs/dbraw/zinc/03/12/11/965031211.db2.gz IKFBAJYERYYSOX-UHFFFAOYSA-N -1 3 411.686 3.551 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCOCCc2ccccc2)c(Cl)c1 ZINC000056110191 966217891 /nfs/dbraw/zinc/21/78/91/966217891.db2.gz SMWCJEJTVVWLBN-UHFFFAOYSA-N -1 3 412.895 3.566 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC3(O)CCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301057058 970727102 /nfs/dbraw/zinc/72/71/02/970727102.db2.gz ALYKATJOBLWCDE-UHFFFAOYSA-N -1 3 419.503 3.729 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc3[nH]ccc32)c(C(F)(F)F)c1 ZINC000409891395 973355073 /nfs/dbraw/zinc/35/50/73/973355073.db2.gz GFWKODMZFQNMPU-UHFFFAOYSA-N -1 3 413.377 3.616 20 5 HHBDHM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426675539 974595450 /nfs/dbraw/zinc/59/54/50/974595450.db2.gz TVPSVLAHLMTCBZ-LJQANCHMSA-N -1 3 422.466 3.985 20 5 HHBDHM O=C([O-])[C@@H](Cc1ccc(F)cc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426733812 974622680 /nfs/dbraw/zinc/62/26/80/974622680.db2.gz OADSZEPUNUNSDR-QGZVFWFLSA-N -1 3 401.419 3.643 20 5 HHBDHM CCOC(=O)c1cc(-c2ccccc2)sc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427122184 974921347 /nfs/dbraw/zinc/92/13/47/974921347.db2.gz ANCMDHYNJYTAAC-UHFFFAOYSA-N -1 3 414.443 3.969 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432259569 978732405 /nfs/dbraw/zinc/73/24/05/978732405.db2.gz PGFVPZHZUBRKSW-AWEZNQCLSA-N -1 3 418.393 3.618 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000432299834 978751516 /nfs/dbraw/zinc/75/15/16/978751516.db2.gz GOEQBKUMNSUXRF-AWEZNQCLSA-N -1 3 418.393 3.618 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCC[C@@H](C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000432829917 978986777 /nfs/dbraw/zinc/98/67/77/978986777.db2.gz PIPVBFTXYLVUQI-OAHLLOKOSA-N -1 3 407.492 3.585 20 5 HHBDHM CCOC(=O)c1nnc(-c2cccc(CNc3ccc([N+](=O)[O-])c(OCC)c3)c2)[n-]1 ZINC000432940768 979017628 /nfs/dbraw/zinc/01/76/28/979017628.db2.gz SQTATSDGSMREPR-UHFFFAOYSA-N -1 3 411.418 3.567 20 5 HHBDHM CCOC(=O)c1nc(-c2cccc(CNc3ccc([N+](=O)[O-])c(OCC)c3)c2)n[n-]1 ZINC000432940768 979017629 /nfs/dbraw/zinc/01/76/29/979017629.db2.gz SQTATSDGSMREPR-UHFFFAOYSA-N -1 3 411.418 3.567 20 5 HHBDHM CC(=O)c1cc(F)c([N-]C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(F)c1F ZINC000461101418 982793562 /nfs/dbraw/zinc/79/35/62/982793562.db2.gz ZGCAKQOXSHKZMV-UHFFFAOYSA-N -1 3 404.304 3.653 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000461131448 982833052 /nfs/dbraw/zinc/83/30/52/982833052.db2.gz QHEGOTIAXXFGNI-UHFFFAOYSA-N -1 3 415.265 3.784 20 5 HHBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(Cl)cc1 ZINC000462577756 985524348 /nfs/dbraw/zinc/52/43/48/985524348.db2.gz KWHVKDWIMFRUIZ-SNVBAGLBSA-N -1 3 405.259 3.647 20 5 HHBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000462656504 985596892 /nfs/dbraw/zinc/59/68/92/985596892.db2.gz CEDPPGUKHSQOQS-AWEZNQCLSA-N -1 3 405.259 3.568 20 5 HHBDHM CCc1cc(=O)[n-]c(-c2ccc(N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)nc2)n1 ZINC000462936339 985874431 /nfs/dbraw/zinc/87/44/31/985874431.db2.gz PTSNWKDFLZANHF-UHFFFAOYSA-N -1 3 421.457 3.763 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)c(C(F)(F)F)c1 ZINC000480861621 993733961 /nfs/dbraw/zinc/73/39/61/993733961.db2.gz GDTHLEGLKWMNNG-ZDUSSCGKSA-N -1 3 422.425 3.774 20 5 HHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)c1C ZINC000480930192 993780244 /nfs/dbraw/zinc/78/02/44/993780244.db2.gz DLRFWXDJHXCTDL-LBPRGKRZSA-N -1 3 424.429 3.996 20 5 HHBDHM CCc1cc(Br)cc2sc([N-]C(=O)c3nn(CC)cc3[N+](=O)[O-])nc21 ZINC000482273118 995250356 /nfs/dbraw/zinc/25/03/56/995250356.db2.gz CJSBBUKZIALVQD-UHFFFAOYSA-N -1 3 424.280 3.998 20 5 HHBDHM CN(C)c1nc2ccc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])cc2o1 ZINC000486168334 998616564 /nfs/dbraw/zinc/61/65/64/998616564.db2.gz QSLVYHQNPUAFOS-UHFFFAOYSA-N -1 3 411.237 3.878 20 5 HHBDHM CCOC(=O)c1cnc(C)c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000486467087 998783094 /nfs/dbraw/zinc/78/30/94/998783094.db2.gz YSMIGKKYSOUTCX-UHFFFAOYSA-N -1 3 414.237 3.551 20 5 HHBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486569610 998832617 /nfs/dbraw/zinc/83/26/17/998832617.db2.gz XXYDQEVYBOHIND-UHFFFAOYSA-N -1 3 421.219 3.620 20 5 HHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486574126 998835470 /nfs/dbraw/zinc/83/54/70/998835470.db2.gz UYOFTNZBJJKKNS-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000489533113 999785966 /nfs/dbraw/zinc/78/59/66/999785966.db2.gz LETOFJCULUOWAA-UHFFFAOYSA-N -1 3 403.504 3.917 20 5 HHBDHM Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491610610 1000090437 /nfs/dbraw/zinc/09/04/37/1000090437.db2.gz SDUZJYNVYJJYPT-UHFFFAOYSA-N -1 3 421.544 3.874 20 5 HHBDHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1F ZINC000504985242 1000489331 /nfs/dbraw/zinc/48/93/31/1000489331.db2.gz FBUDMADMTGKNAN-UHFFFAOYSA-N -1 3 420.422 3.528 20 5 HHBDHM COc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)ccc1[N+](=O)[O-] ZINC000500475772 1003737989 /nfs/dbraw/zinc/73/79/89/1003737989.db2.gz JXIQLTKYGJYXNQ-UHFFFAOYSA-N -1 3 421.656 3.820 20 5 HHBDHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)cc1F ZINC000501473056 1004447385 /nfs/dbraw/zinc/44/73/85/1004447385.db2.gz GOHUJXIZVBCYAW-HAQNSBGRSA-N -1 3 414.842 3.620 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)c2ccccc2)c(Cl)c1 ZINC000513013769 1004759103 /nfs/dbraw/zinc/75/91/03/1004759103.db2.gz BDGURUXXABNHCY-SUMWQHHRSA-N -1 3 410.879 3.694 20 5 HHBDHM Cc1cc2cc(C[N-]S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc2[nH]1 ZINC000510663723 1004786890 /nfs/dbraw/zinc/78/68/90/1004786890.db2.gz OAMAFSBZAAEUSC-UHFFFAOYSA-N -1 3 424.276 3.626 20 5 HHBDHM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)cc2[nH]1 ZINC000531836425 1006459944 /nfs/dbraw/zinc/45/99/44/1006459944.db2.gz YKGJECPAYIWKEA-UHFFFAOYSA-N -1 3 404.448 3.623 20 5 HHBDHM CCn1cc(Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])cn1 ZINC000515590777 1006551798 /nfs/dbraw/zinc/55/17/98/1006551798.db2.gz SCPWEYJMXOJTQV-UHFFFAOYSA-N -1 3 415.475 3.972 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000539221583 1007514199 /nfs/dbraw/zinc/51/41/99/1007514199.db2.gz ZRWXBMVGUZWCDW-CZUORRHYSA-N -1 3 417.270 3.710 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000517372997 1007605427 /nfs/dbraw/zinc/60/54/27/1007605427.db2.gz GOCAYJGJNXNNLR-UHFFFAOYSA-N -1 3 424.784 3.624 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3cccnc32)c(C(F)(F)F)c1 ZINC000533465579 1007775433 /nfs/dbraw/zinc/77/54/33/1007775433.db2.gz NTTYNFGYODECIJ-UHFFFAOYSA-N -1 3 411.361 3.640 20 5 HHBDHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000533920527 1008205598 /nfs/dbraw/zinc/20/55/98/1008205598.db2.gz KUTXSEMEOFYJAG-VIFPVBQESA-N -1 3 422.406 3.615 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000543166976 1008743161 /nfs/dbraw/zinc/74/31/61/1008743161.db2.gz KLAMOIPHXRMFHH-CQSZACIVSA-N -1 3 410.320 3.763 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccc(Cl)cc32)c(F)c1 ZINC000520739922 1009809335 /nfs/dbraw/zinc/80/93/35/1009809335.db2.gz IVJKNPUOYAOOHB-ZDUSSCGKSA-N -1 3 402.856 3.903 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521846793 1010656230 /nfs/dbraw/zinc/65/62/30/1010656230.db2.gz JUEQBVHLLGBQLP-UHFFFAOYSA-N -1 3 406.171 3.534 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CCO[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000536721333 1011894743 /nfs/dbraw/zinc/89/47/43/1011894743.db2.gz BQPGMVGNKOHDLJ-HZPDHXFCSA-N -1 3 419.503 3.992 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCO[C@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000536721326 1011895272 /nfs/dbraw/zinc/89/52/72/1011895272.db2.gz BQPGMVGNKOHDLJ-CVEARBPZSA-N -1 3 419.503 3.992 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541832220 1012719411 /nfs/dbraw/zinc/71/94/11/1012719411.db2.gz YYBQFNJQCFRDSE-GDBMZVCRSA-N -1 3 414.842 3.586 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541832224 1012719517 /nfs/dbraw/zinc/71/95/17/1012719517.db2.gz YYBQFNJQCFRDSE-HOCLYGCPSA-N -1 3 414.842 3.586 20 5 HHBDHM O=[N+]([O-])c1ccc2[nH]cc(CC[N-]S(=O)(=O)c3c(Cl)cccc3Cl)c2c1 ZINC000571081350 1072556126 /nfs/dbraw/zinc/55/61/26/1072556126.db2.gz QTPHUZQOZJZEOD-UHFFFAOYSA-N -1 3 414.270 3.904 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)[C@H]3CCSC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301847183 971084175 /nfs/dbraw/zinc/08/41/75/971084175.db2.gz NEKUWSROTHXWHN-HNNXBMFYSA-N -1 3 421.544 3.954 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCc3ccc[nH]3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301989514 971144716 /nfs/dbraw/zinc/14/47/16/971144716.db2.gz MEHOJURPLFLCFX-UHFFFAOYSA-N -1 3 414.487 3.995 20 5 HHBDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000007488914 961213343 /nfs/dbraw/zinc/21/33/43/961213343.db2.gz MOHNVRCNBCDEEK-XFFZJAGNSA-N -1 3 405.819 3.725 20 5 HHBDHM Cc1sc2ncn([N-]C(=O)c3cccc([N+](=O)[O-])c3)c(=O)c2c1-c1ccccc1 ZINC000007796357 961322504 /nfs/dbraw/zinc/32/25/04/961322504.db2.gz CYRUEMMAXXPGPS-UHFFFAOYSA-N -1 3 406.423 3.726 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000057748425 965537189 /nfs/dbraw/zinc/53/71/89/965537189.db2.gz RVXMKSZMHPKEPZ-UHFFFAOYSA-N -1 3 424.438 3.743 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000058562650 965785485 /nfs/dbraw/zinc/78/54/85/965785485.db2.gz ODSQUBIKUCBBDL-ZDUSSCGKSA-N -1 3 400.403 3.934 20 5 HHBDHM CC[C@@](C)(O)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000060349519 966102928 /nfs/dbraw/zinc/10/29/28/966102928.db2.gz IGEOKLYSYXYCQA-LJQANCHMSA-N -1 3 407.492 3.585 20 5 HHBDHM COc1ccccc1-c1nc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000065115093 967383728 /nfs/dbraw/zinc/38/37/28/967383728.db2.gz DBMSKGMJHXFJKQ-UHFFFAOYSA-N -1 3 422.426 3.764 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000110098696 969623005 /nfs/dbraw/zinc/62/30/05/969623005.db2.gz SUMUXNIZEBVNFQ-OAHLLOKOSA-N -1 3 400.460 3.723 20 5 HHBDHM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2O1 ZINC000430370833 977507876 /nfs/dbraw/zinc/50/78/76/977507876.db2.gz NSOBFNQOYLTNKW-UHFFFAOYSA-N -1 3 410.879 3.946 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2coc3ccccc23)c(Br)c1 ZINC000432262074 978733058 /nfs/dbraw/zinc/73/30/58/978733058.db2.gz KGJCNIIRQABQDA-UHFFFAOYSA-N -1 3 411.233 3.582 20 5 HHBDHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000432303121 978753443 /nfs/dbraw/zinc/75/34/43/978753443.db2.gz PUFHMBLERMVDJI-UHFFFAOYSA-N -1 3 424.441 3.876 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCOC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000432868318 978996553 /nfs/dbraw/zinc/99/65/53/978996553.db2.gz YHFOZXHNLYSLIE-WBVHZDCISA-N -1 3 419.503 3.849 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(F)c3)C2)c(C(F)(F)F)c1 ZINC000435583342 980950144 /nfs/dbraw/zinc/95/01/44/980950144.db2.gz GIDPCEHXJPEKAP-AULYBMBSSA-N -1 3 418.368 3.977 20 5 HHBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435692624 980989481 /nfs/dbraw/zinc/98/94/81/980989481.db2.gz HLTRXIRXAZTJKY-GOSISDBHSA-N -1 3 421.457 3.505 20 5 HHBDHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000436915822 981620998 /nfs/dbraw/zinc/62/09/98/981620998.db2.gz QPONSYFDPPFOBM-UHFFFAOYSA-N -1 3 410.777 3.539 20 5 HHBDHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966633 981653609 /nfs/dbraw/zinc/65/36/09/981653609.db2.gz OBOUGFQYKYBAKQ-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM O=C([N-]c1cc(-c2ccccc2F)on1)c1ccc([N+](=O)[O-])cc1Br ZINC000448493428 981831487 /nfs/dbraw/zinc/83/14/87/981831487.db2.gz WAZYICREKPYOCB-UHFFFAOYSA-N -1 3 406.167 4.404 20 5 HHBDHM COc1ccc(-c2nc([N-]C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])n[nH]2)c(OC)c1 ZINC000460474732 982267413 /nfs/dbraw/zinc/26/74/13/982267413.db2.gz YBXAZQGVSQYJAF-UHFFFAOYSA-N -1 3 417.809 3.611 20 5 HHBDHM O=C(NCc1ccc([O-])c(Br)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000438043679 982545584 /nfs/dbraw/zinc/54/55/84/982545584.db2.gz VXHKWGUAVWFKAU-UHFFFAOYSA-N -1 3 420.263 3.937 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000438799860 983078373 /nfs/dbraw/zinc/07/83/73/983078373.db2.gz CAPQVDNUMNMKRA-UHFFFAOYSA-N -1 3 403.229 3.914 20 5 HHBDHM COC(=O)CCSc1ncccc1[N-]C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000438950684 983173623 /nfs/dbraw/zinc/17/36/23/983173623.db2.gz HYKQGJKXYOZSFH-UHFFFAOYSA-N -1 3 409.851 3.859 20 5 HHBDHM Cc1nc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 ZINC000443785023 985989793 /nfs/dbraw/zinc/98/97/93/985989793.db2.gz GDZRNRNPMBPZCE-UHFFFAOYSA-N -1 3 421.862 3.831 20 5 HHBDHM COc1cc(CNCc2cc3cc(Br)ccc3[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000466452916 991743493 /nfs/dbraw/zinc/74/34/93/991743493.db2.gz GPGRCCSIHDEDCL-UHFFFAOYSA-N -1 3 406.236 3.843 20 5 HHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000466469951 991760541 /nfs/dbraw/zinc/76/05/41/991760541.db2.gz DMEIFSVUEMVCIE-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000466883680 992204922 /nfs/dbraw/zinc/20/49/22/992204922.db2.gz ROEIXVUPQOJLJN-SNVBAGLBSA-N -1 3 409.411 3.808 20 5 HHBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000467072417 992377710 /nfs/dbraw/zinc/37/77/10/992377710.db2.gz MTVAIYXQLIJOMV-SFHVURJKSA-N -1 3 403.485 3.736 20 5 HHBDHM COc1c(C(=O)[N-]c2n[nH]c(-c3cc(Cl)ccc3Cl)n2)cccc1[N+](=O)[O-] ZINC000480931186 993781104 /nfs/dbraw/zinc/78/11/04/993781104.db2.gz GOXAOPNCNKTPNG-UHFFFAOYSA-N -1 3 408.201 3.948 20 5 HHBDHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000485090110 997463652 /nfs/dbraw/zinc/46/36/52/997463652.db2.gz CTUUWIJSMBUNPH-UHFFFAOYSA-N -1 3 404.386 3.953 20 5 HHBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000485090110 997463663 /nfs/dbraw/zinc/46/36/63/997463663.db2.gz CTUUWIJSMBUNPH-UHFFFAOYSA-N -1 3 404.386 3.953 20 5 HHBDHM CN(C)C(=O)c1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1F ZINC000486204949 998643342 /nfs/dbraw/zinc/64/33/42/998643342.db2.gz LTTLYIGZKDONKR-UHFFFAOYSA-N -1 3 416.228 3.512 20 5 HHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000486565925 998829771 /nfs/dbraw/zinc/82/97/71/998829771.db2.gz WWUTWDBFHDJJCO-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM COc1c(F)cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1[N+](=O)[O-] ZINC000488288044 999424982 /nfs/dbraw/zinc/42/49/82/999424982.db2.gz CWRHFMPKDHDEQQ-UHFFFAOYSA-N -1 3 401.391 3.503 20 5 HHBDHM CCc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000480195309 999741723 /nfs/dbraw/zinc/74/17/23/999741723.db2.gz JYRLFIMYDYXQFI-UHFFFAOYSA-N -1 3 414.487 3.636 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2csc(-c3ncccc3F)n2)c(C)c([N+](=O)[O-])c1 ZINC000489751037 999830868 /nfs/dbraw/zinc/83/08/68/999830868.db2.gz BFFPSUYXDHXPBD-UHFFFAOYSA-N -1 3 416.390 3.600 20 5 HHBDHM COc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)cs2)cc1 ZINC000490360116 999944378 /nfs/dbraw/zinc/94/43/78/999944378.db2.gz CBVABUGZVHYIHI-UHFFFAOYSA-N -1 3 422.426 3.764 20 5 HHBDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000493786751 1000193016 /nfs/dbraw/zinc/19/30/16/1000193016.db2.gz AXLXYOTWSBTDDA-FQEVSTJZSA-N -1 3 416.455 3.881 20 5 HHBDHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000494315784 1000428244 /nfs/dbraw/zinc/42/82/44/1000428244.db2.gz UJDRPFAAUGYAAN-QMMMGPOBSA-N -1 3 419.219 3.757 20 5 HHBDHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000496426928 1001174010 /nfs/dbraw/zinc/17/40/10/1001174010.db2.gz CQTKWNCNSNGVAL-UHFFFAOYSA-N -1 3 422.469 3.781 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(F)cc1F ZINC000498241366 1001725742 /nfs/dbraw/zinc/72/57/42/1001725742.db2.gz CECSMYTZUAXPQQ-UHFFFAOYSA-N -1 3 402.256 3.513 20 5 HHBDHM COc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])c4cccnc34)s2)cc1 ZINC000498660311 1002055891 /nfs/dbraw/zinc/05/58/91/1002055891.db2.gz LSUGHRZQEVTWQL-UHFFFAOYSA-N -1 3 407.411 3.922 20 5 HHBDHM Cc1ccc([C@H](CC(=O)OC(C)C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000507567764 1002171921 /nfs/dbraw/zinc/17/19/21/1002171921.db2.gz LUCSQFAXQWGURE-KRWDZBQOSA-N -1 3 420.487 3.573 20 5 HHBDHM COc1cccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1OC1CCCC1 ZINC000500160176 1003514262 /nfs/dbraw/zinc/51/42/62/1003514262.db2.gz DVPBGXMKSZNOQE-UHFFFAOYSA-N -1 3 420.487 3.712 20 5 HHBDHM COc1cc(CNc2cc(C)cc(I)c2)c([N+](=O)[O-])cc1[O-] ZINC000513036966 1004771587 /nfs/dbraw/zinc/77/15/87/1004771587.db2.gz PTBMETCZZVAXLJ-UHFFFAOYSA-N -1 3 414.199 3.834 20 5 HHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c2)n1 ZINC000534622868 1006603507 /nfs/dbraw/zinc/60/35/07/1006603507.db2.gz MMNCNIHCWFGCIU-UHFFFAOYSA-N -1 3 417.425 3.982 20 5 HHBDHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1[N+](=O)[O-] ZINC000533160037 1007498903 /nfs/dbraw/zinc/49/89/03/1007498903.db2.gz KYPZGVDGZULBDB-UHFFFAOYSA-N -1 3 417.849 3.753 20 5 HHBDHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000549214127 1008784777 /nfs/dbraw/zinc/78/47/77/1008784777.db2.gz RQOGUIGYMPRDPA-UHFFFAOYSA-N -1 3 420.443 3.995 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCC[C@H]3CF)c([N+](=O)[O-])c2)c(C)c1 ZINC000549248002 1008819075 /nfs/dbraw/zinc/81/90/75/1008819075.db2.gz HMSAKYBVBKZKGQ-HNNXBMFYSA-N -1 3 407.467 3.951 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000543690147 1009299363 /nfs/dbraw/zinc/29/93/63/1009299363.db2.gz XKWCJHFBFXHDKK-CZUORRHYSA-N -1 3 414.842 3.586 20 5 HHBDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000537019104 1012324330 /nfs/dbraw/zinc/32/43/30/1012324330.db2.gz ISLMTBTZDXCTIW-SECBINFHSA-N -1 3 405.295 3.767 20 5 HHBDHM O=[N+]([O-])c1cc(CNCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cs1 ZINC000537325879 1012782853 /nfs/dbraw/zinc/78/28/53/1012782853.db2.gz RXFNMNDOUZWZBJ-UHFFFAOYSA-N -1 3 421.475 3.886 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000571823279 1072848417 /nfs/dbraw/zinc/84/84/17/1072848417.db2.gz BOSPYXACDOZYFM-LLVKDONJSA-N -1 3 424.841 3.613 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301192594 970798774 /nfs/dbraw/zinc/79/87/74/970798774.db2.gz XDFJUCRUFWILRB-HNNXBMFYSA-N -1 3 405.476 3.603 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000542121560 1013055678 /nfs/dbraw/zinc/05/56/78/1013055678.db2.gz NFMMULGUGGKGKN-HUUCEWRRSA-N -1 3 407.492 3.584 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3C[C@H](O)C3(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000302431748 971236906 /nfs/dbraw/zinc/23/69/06/971236906.db2.gz OXQJMOKJWJCQTM-OALUTQOASA-N -1 3 419.503 3.584 20 5 HHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1C ZINC000015243626 962697211 /nfs/dbraw/zinc/69/72/11/962697211.db2.gz VSNFGGXGAWGFLL-UHFFFAOYSA-N -1 3 403.229 3.914 20 5 HHBDHM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000538012594 1013585517 /nfs/dbraw/zinc/58/55/17/1013585517.db2.gz DNHRNBZGDACHJJ-HNNXBMFYSA-N -1 3 420.821 3.501 20 5 HHBDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1OC ZINC000553904920 1013690395 /nfs/dbraw/zinc/69/03/95/1013690395.db2.gz HKAQRVQGYFSOGH-LLVKDONJSA-N -1 3 414.867 3.613 20 5 HHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000064343141 967148341 /nfs/dbraw/zinc/14/83/41/967148341.db2.gz RIRKUFAZQZYEDG-CYBMUJFWSA-N -1 3 410.455 3.773 20 5 HHBDHM C[C@@H](Nc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000065044847 967356715 /nfs/dbraw/zinc/35/67/15/967356715.db2.gz BLIHDHWKURRCSY-GFCCVEGCSA-N -1 3 419.401 3.793 20 5 HHBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000045572119 967500110 /nfs/dbraw/zinc/50/01/10/967500110.db2.gz DDXWNWUEEINVEY-UHFFFAOYSA-N -1 3 406.324 3.596 20 5 HHBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000045572119 967500120 /nfs/dbraw/zinc/50/01/20/967500120.db2.gz DDXWNWUEEINVEY-UHFFFAOYSA-N -1 3 406.324 3.596 20 5 HHBDHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000105924724 969274000 /nfs/dbraw/zinc/27/40/00/969274000.db2.gz CZLHSHVPVWGNQY-UHFFFAOYSA-N -1 3 412.456 3.867 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(C)(C)C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000216129677 970064191 /nfs/dbraw/zinc/06/41/91/970064191.db2.gz BBBHSBULAVQGEJ-UHFFFAOYSA-N -1 3 404.448 3.578 20 5 HHBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000554710357 1014026774 /nfs/dbraw/zinc/02/67/74/1014026774.db2.gz LPLSSZYRDANKNF-AWEZNQCLSA-N -1 3 405.259 3.568 20 5 HHBDHM O=C([O-])c1ccc(N2CCC(NCc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 ZINC000426647643 974581061 /nfs/dbraw/zinc/58/10/61/974581061.db2.gz OJJOJUNIGDGLCA-UHFFFAOYSA-N -1 3 421.400 3.653 20 5 HHBDHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000427380104 975085988 /nfs/dbraw/zinc/08/59/88/975085988.db2.gz RDTDZIPHMNHSKY-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000427803210 975298652 /nfs/dbraw/zinc/29/86/52/975298652.db2.gz LJTAVHBIPGRFPK-LJQANCHMSA-N -1 3 402.428 3.573 20 5 HHBDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000427804889 975299100 /nfs/dbraw/zinc/29/91/00/975299100.db2.gz OBUATHBJBJJNCY-LJQANCHMSA-N -1 3 402.428 3.573 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432261309 978733100 /nfs/dbraw/zinc/73/31/00/978733100.db2.gz AWXBDVYYRXIIIR-AWEZNQCLSA-N -1 3 418.393 3.618 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCOC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000432868317 978996586 /nfs/dbraw/zinc/99/65/86/978996586.db2.gz YHFOZXHNLYSLIE-RDJZCZTQSA-N -1 3 419.503 3.849 20 5 HHBDHM O=c1[n-]c(SCc2nc3cc([N+](=O)[O-])ccc3o2)nc2c1cnn2-c1ccccc1 ZINC000434796376 980403904 /nfs/dbraw/zinc/40/39/04/980403904.db2.gz QBYZGMPTUHKQQQ-UHFFFAOYSA-N -1 3 420.410 3.863 20 5 HHBDHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000436534183 981425197 /nfs/dbraw/zinc/42/51/97/981425197.db2.gz ZZGQBCPSZBPCGL-HNNXBMFYSA-N -1 3 420.425 3.814 20 5 HHBDHM Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000436618761 981477951 /nfs/dbraw/zinc/47/79/51/981477951.db2.gz MSOMKADXJQZYBE-UHFFFAOYSA-N -1 3 409.364 3.590 20 5 HHBDHM O=C(c1ccccc1[O-])N1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000436705524 981522047 /nfs/dbraw/zinc/52/20/47/981522047.db2.gz OYZMFONLGIQRHR-UHFFFAOYSA-N -1 3 407.373 3.619 20 5 HHBDHM COc1ccccc1-c1nc([N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000437922256 982464472 /nfs/dbraw/zinc/46/44/72/982464472.db2.gz SLUYHPCNMNZCLP-UHFFFAOYSA-N -1 3 407.308 3.660 20 5 HHBDHM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)ccc1[N+](=O)[O-] ZINC000461129873 982830373 /nfs/dbraw/zinc/83/03/73/982830373.db2.gz OBGVDNPRVZHBEC-UHFFFAOYSA-N -1 3 421.656 3.820 20 5 HHBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)nc21 ZINC000444961363 987096207 /nfs/dbraw/zinc/09/62/07/987096207.db2.gz AZIKQOSRDQYBFC-UHFFFAOYSA-N -1 3 412.405 3.597 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)c1ncc(-c2ccccc2)o1 ZINC000464419190 988590949 /nfs/dbraw/zinc/59/09/49/988590949.db2.gz MMZJVUAXUISAAN-ZDUSSCGKSA-N -1 3 424.438 3.838 20 5 HHBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2sccc2Br)c(Cl)c1 ZINC000466516542 991805412 /nfs/dbraw/zinc/80/54/12/991805412.db2.gz GDSQTCYIPGGREZ-UHFFFAOYSA-N -1 3 411.686 3.551 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CCOCc3ccccc3)CC2)c(Cl)c1 ZINC000472628020 993570496 /nfs/dbraw/zinc/57/04/96/993570496.db2.gz QBXFUOXZCHAMHK-UHFFFAOYSA-N -1 3 424.906 3.914 20 5 HHBDHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000484766563 997110575 /nfs/dbraw/zinc/11/05/75/997110575.db2.gz XUMKXVMMBKXINO-UHFFFAOYSA-N -1 3 400.807 3.895 20 5 HHBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCCC1 ZINC000478779344 999137035 /nfs/dbraw/zinc/13/70/35/999137035.db2.gz BLECUGGLSQWTCG-UHFFFAOYSA-N -1 3 424.441 3.879 20 5 HHBDHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487730244 999269128 /nfs/dbraw/zinc/26/91/28/999269128.db2.gz UEDOBNJSBKPKPV-UHFFFAOYSA-N -1 3 404.791 3.748 20 5 HHBDHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480608044 999839622 /nfs/dbraw/zinc/83/96/22/999839622.db2.gz FHUYPWXPWBLEGV-OAHLLOKOSA-N -1 3 412.895 3.564 20 5 HHBDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccn2)cc1 ZINC000480629461 999845316 /nfs/dbraw/zinc/84/53/16/999845316.db2.gz DNEJHTIJEGPGTA-LJQANCHMSA-N -1 3 401.419 3.505 20 5 HHBDHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)co2)cc1 ZINC000493905523 1000207793 /nfs/dbraw/zinc/20/77/93/1000207793.db2.gz IANKPTPWMOMNAN-UHFFFAOYSA-N -1 3 401.444 3.654 20 5 HHBDHM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506348996 1001370019 /nfs/dbraw/zinc/37/00/19/1001370019.db2.gz NVKAGPHNDIEMKX-UHFFFAOYSA-N -1 3 403.866 3.596 20 5 HHBDHM Cc1cccc([C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000497950250 1001576616 /nfs/dbraw/zinc/57/66/16/1001576616.db2.gz MRMPJMYLDHGGIN-FQEVSTJZSA-N -1 3 411.483 3.983 20 5 HHBDHM COc1cccc(Cc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])c4cccnc34)s2)c1 ZINC000498293925 1001762470 /nfs/dbraw/zinc/76/24/70/1001762470.db2.gz GPRCGSWJCRBGNI-UHFFFAOYSA-N -1 3 421.438 3.846 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@]3(C)CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000498931745 1002329855 /nfs/dbraw/zinc/32/98/55/1002329855.db2.gz VCGNFZXRQUYVIE-HXUWFJFHSA-N -1 3 419.503 3.851 20 5 HHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508066349 1002587832 /nfs/dbraw/zinc/58/78/32/1002587832.db2.gz BNVFVWCUJRMJBZ-MRXNPFEDSA-N -1 3 413.377 3.966 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)cccc32)c(Cl)c1 ZINC000511908516 1003884558 /nfs/dbraw/zinc/88/45/58/1003884558.db2.gz ADOIHJWAEIGTOA-ZDUSSCGKSA-N -1 3 403.243 3.704 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C)OC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000502087618 1004896330 /nfs/dbraw/zinc/89/63/30/1004896330.db2.gz ITCDCARJSIISAY-JKSUJKDBSA-N -1 3 419.503 3.626 20 5 HHBDHM COc1cc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)ccc1[N+](=O)[O-] ZINC000510944576 1004947387 /nfs/dbraw/zinc/94/73/87/1004947387.db2.gz KABQTMWIKCQOOI-UHFFFAOYSA-N -1 3 402.457 4.000 20 5 HHBDHM CCOCCN(CC)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000518140351 1008178350 /nfs/dbraw/zinc/17/83/50/1008178350.db2.gz LTZKCQKDLCPCLJ-UHFFFAOYSA-N -1 3 421.519 3.875 20 5 HHBDHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000518704274 1008398175 /nfs/dbraw/zinc/39/81/75/1008398175.db2.gz CZIQBSALVURAKL-XPTSAGLGSA-N -1 3 415.265 3.552 20 5 HHBDHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1 ZINC000519201768 1008605854 /nfs/dbraw/zinc/60/58/54/1008605854.db2.gz DPNJZDWAKFKXNV-UHFFFAOYSA-N -1 3 411.867 3.960 20 5 HHBDHM Cc1ncc(CNC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000543314333 1008892965 /nfs/dbraw/zinc/89/29/65/1008892965.db2.gz ATMZZMVSHSEEIS-UHFFFAOYSA-N -1 3 414.805 3.775 20 5 HHBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000546186365 1009215954 /nfs/dbraw/zinc/21/59/54/1009215954.db2.gz XEVJVLFBFGAVIJ-MRVPVSSYSA-N -1 3 419.219 3.675 20 5 HHBDHM O=C(Nc1cc(Br)ccc1[O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543818745 1009379072 /nfs/dbraw/zinc/37/90/72/1009379072.db2.gz JXDLJHAYLJTGFD-UHFFFAOYSA-N -1 3 403.135 3.917 20 5 HHBDHM Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000546400869 1009415625 /nfs/dbraw/zinc/41/56/25/1009415625.db2.gz JKJCKFZGROEERZ-LLVKDONJSA-N -1 3 422.850 3.646 20 5 HHBDHM COc1cc(CNc2ccc(C(=O)NCC(C)C)c(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC000551086111 1010356836 /nfs/dbraw/zinc/35/68/36/1010356836.db2.gz JDYMFCMZDLYZSY-UHFFFAOYSA-N -1 3 407.854 3.960 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)cc([N+](=O)[O-])c1 ZINC000522871479 1011314976 /nfs/dbraw/zinc/31/49/76/1011314976.db2.gz WBGJRLSNAKBDDL-UHFFFAOYSA-N -1 3 423.429 3.646 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC[C@@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000541337003 1012048402 /nfs/dbraw/zinc/04/84/02/1012048402.db2.gz HOCSKZIJCNEXAE-MRXNPFEDSA-N -1 3 419.503 3.851 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H]3CCCCO3)c([N+](=O)[O-])c2)c(C)c1 ZINC000552455447 1012479699 /nfs/dbraw/zinc/47/96/99/1012479699.db2.gz YIDRWOSCYLYKAN-MRXNPFEDSA-N -1 3 419.503 3.993 20 5 HHBDHM Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000541932151 1012793477 /nfs/dbraw/zinc/79/34/77/1012793477.db2.gz GSFUZYTVKYSCHT-UHFFFAOYSA-N -1 3 404.854 3.821 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](C)c3ncc[nH]3)c([N+](=O)[O-])c2)c(C)c1 ZINC000590567787 1073919992 /nfs/dbraw/zinc/91/99/92/1073919992.db2.gz ILXGQNDJBGBEOT-CQSZACIVSA-N -1 3 415.475 3.909 20 5 HHBDHM O=C(C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000301198334 970802596 /nfs/dbraw/zinc/80/25/96/970802596.db2.gz VCWBLNJBVJVQBJ-UHFFFAOYSA-N -1 3 410.308 3.523 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC3(CO)CCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000302157902 971190235 /nfs/dbraw/zinc/19/02/35/971190235.db2.gz NFHRPVODKFUSHI-UHFFFAOYSA-N -1 3 419.503 3.587 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H]3CC[C@H](O)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000302706667 971286101 /nfs/dbraw/zinc/28/61/01/971286101.db2.gz WDQTUTVGBOQUPO-CVEARBPZSA-N -1 3 419.503 3.585 20 5 HHBDHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000303818338 972050602 /nfs/dbraw/zinc/05/06/02/972050602.db2.gz WXYDSVUPJNEGCC-HWPZZCPQSA-N -1 3 419.286 3.956 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1 ZINC000026877737 964706769 /nfs/dbraw/zinc/70/67/69/964706769.db2.gz CKEONQMYEGNDLQ-RKDXNWHRSA-N -1 3 420.331 3.783 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccccc1C(F)(F)F ZINC000057020085 965252267 /nfs/dbraw/zinc/25/22/67/965252267.db2.gz WKQPXIUZHMQMDV-SNVBAGLBSA-N -1 3 404.366 3.662 20 5 HHBDHM CC[C@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])CCO1 ZINC000029584835 965422581 /nfs/dbraw/zinc/42/25/81/965422581.db2.gz JTLSYCGFWQXXMN-INIZCTEOSA-N -1 3 419.503 3.628 20 5 HHBDHM Cc1cc(CNc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])on1 ZINC000109198738 969477879 /nfs/dbraw/zinc/47/78/79/969477879.db2.gz ASKJZEXTLRKMJG-UHFFFAOYSA-N -1 3 416.459 3.921 20 5 HHBDHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000195731152 969987675 /nfs/dbraw/zinc/98/76/75/969987675.db2.gz XZAYQHZAHQOOGS-SNVBAGLBSA-N -1 3 411.892 3.767 20 5 HHBDHM COC[C@@H](C)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000140438804 970077217 /nfs/dbraw/zinc/07/72/17/970077217.db2.gz ZCVGVKHVXGVMLB-AWEZNQCLSA-N -1 3 407.492 3.707 20 5 HHBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000554710363 1014026432 /nfs/dbraw/zinc/02/64/32/1014026432.db2.gz LPLSSZYRDANKNF-CQSZACIVSA-N -1 3 405.259 3.568 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)cc1[N+](=O)[O-] ZINC000326594130 972744402 /nfs/dbraw/zinc/74/44/02/972744402.db2.gz KTIMYUKLKKSYCJ-UHFFFAOYSA-N -1 3 419.228 3.614 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccsc2Br)c(Cl)c1 ZINC000388523865 972805327 /nfs/dbraw/zinc/80/53/27/972805327.db2.gz AVZDCABLTGMNBC-UHFFFAOYSA-N -1 3 411.686 3.551 20 5 HHBDHM O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1coc(-c2ccccc2)n1 ZINC000426735660 974624148 /nfs/dbraw/zinc/62/41/48/974624148.db2.gz GJDFQTBSJBKOJH-IBGZPJMESA-N -1 3 406.398 3.517 20 5 HHBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(Cl)ccc1Br ZINC000426794281 974665209 /nfs/dbraw/zinc/66/52/09/974665209.db2.gz RBIRDKYLVAABFJ-HNNXBMFYSA-N -1 3 413.655 3.796 20 5 HHBDHM O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3ccc([O-])c4ccccc34)no1)OCCO2 ZINC000436604443 981469891 /nfs/dbraw/zinc/46/98/91/981469891.db2.gz ANGYQLSQPUAMFP-UHFFFAOYSA-N -1 3 405.366 3.866 20 5 HHBDHM O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc([O-])c(Br)c1 ZINC000436793144 981564344 /nfs/dbraw/zinc/56/43/44/981564344.db2.gz PUTZFIGAELMGOM-XFFZJAGNSA-N -1 3 414.215 3.717 20 5 HHBDHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000436816626 981573997 /nfs/dbraw/zinc/57/39/97/981573997.db2.gz SVLMYMYERUTXGU-UHFFFAOYSA-N -1 3 408.414 3.767 20 5 HHBDHM O=C(c1cc(CCc2ccccc2)ccc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000436816011 981574087 /nfs/dbraw/zinc/57/40/87/981574087.db2.gz RLOFGXYSURJJPV-UHFFFAOYSA-N -1 3 420.469 3.759 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)c(Br)c1 ZINC000461788684 984779113 /nfs/dbraw/zinc/77/91/13/984779113.db2.gz AYRQWVVVSNGOPD-UHFFFAOYSA-N -1 3 411.277 3.582 20 5 HHBDHM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442364282 984871393 /nfs/dbraw/zinc/87/13/93/984871393.db2.gz VJPVSOUITOTAND-UHFFFAOYSA-N -1 3 411.867 3.529 20 5 HHBDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000462416940 985389756 /nfs/dbraw/zinc/38/97/56/985389756.db2.gz UUQMXHUWAIORTP-AWEZNQCLSA-N -1 3 401.897 3.751 20 5 HHBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000462502619 985454186 /nfs/dbraw/zinc/45/41/86/985454186.db2.gz PJXJCAUXKNRTEI-MRXNPFEDSA-N -1 3 406.442 3.861 20 5 HHBDHM COc1cc(C(=O)[N-]c2cc(F)cc(Br)c2F)c([N+](=O)[O-])cc1OC ZINC000468191148 985875672 /nfs/dbraw/zinc/87/56/72/985875672.db2.gz GBADGRYNUANSIK-UHFFFAOYSA-N -1 3 417.162 3.905 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(F)cc1F ZINC000443806535 986004598 /nfs/dbraw/zinc/00/45/98/986004598.db2.gz ODWRXDJESSJNSF-UHFFFAOYSA-N -1 3 404.247 3.931 20 5 HHBDHM COc1cc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)cc([N+](=O)[O-])c1OC ZINC000469893977 987531028 /nfs/dbraw/zinc/53/10/28/987531028.db2.gz SFJBGSJIFVHKME-UHFFFAOYSA-N -1 3 418.406 3.830 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1[N+](=O)[O-] ZINC000466472474 991763490 /nfs/dbraw/zinc/76/34/90/991763490.db2.gz YIILLHOXFNFOIE-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)c(Br)c1 ZINC000466547173 991856096 /nfs/dbraw/zinc/85/60/96/991856096.db2.gz ZSEDQHPNEHMBOI-GFCCVEGCSA-N -1 3 417.306 3.775 20 5 HHBDHM O=C(NCc1ncccc1[O-])c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000473631185 994511403 /nfs/dbraw/zinc/51/14/03/994511403.db2.gz QPBNOLASNQLBHD-UHFFFAOYSA-N -1 3 412.833 3.891 20 5 HHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(CC34CC5CC(CC(C5)C3)C4)cs2)n1 ZINC000481765978 994618633 /nfs/dbraw/zinc/61/86/33/994618633.db2.gz HPOGAICPEWQRGL-UHFFFAOYSA-N -1 3 401.492 3.796 20 5 HHBDHM Cc1ccccc1[C@@H]([C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)C ZINC000473933432 994906396 /nfs/dbraw/zinc/90/63/96/994906396.db2.gz QUHIEARJSVPAQV-CXAGYDPISA-N -1 3 411.911 3.526 20 5 HHBDHM COc1c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)cccc1[N+](=O)[O-] ZINC000476192312 996668372 /nfs/dbraw/zinc/66/83/72/996668372.db2.gz NFBCAKZWUUPXOD-UHFFFAOYSA-N -1 3 404.835 3.951 20 5 HHBDHM CCCCc1nc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c(C(=O)OCC)[n-]1 ZINC000485699160 998162615 /nfs/dbraw/zinc/16/26/15/998162615.db2.gz WTGVEHDAUZQTOW-UHFFFAOYSA-N -1 3 406.464 3.811 20 5 HHBDHM CCCOc1cc([N-]C(=O)c2cn(C(C)(C)C)nn2)c([N+](=O)[O-])cc1OCCC ZINC000477894655 998638590 /nfs/dbraw/zinc/63/85/90/998638590.db2.gz IYPDBAHUNNRRCZ-UHFFFAOYSA-N -1 3 405.455 3.771 20 5 HHBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)c1[N+](=O)[O-] ZINC000478146484 998786383 /nfs/dbraw/zinc/78/63/83/998786383.db2.gz WIMGXRWPPPYKQY-GFCCVEGCSA-N -1 3 424.429 3.996 20 5 HHBDHM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488701537 999579547 /nfs/dbraw/zinc/57/95/47/999579547.db2.gz POPPBMRRQIZOKB-AWEZNQCLSA-N -1 3 411.277 3.632 20 5 HHBDHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000488763494 999600256 /nfs/dbraw/zinc/60/02/56/999600256.db2.gz PZTPOIQAQGMQIZ-KRWDZBQOSA-N -1 3 408.476 3.822 20 5 HHBDHM COC(=O)c1cc(C)nc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])[n-]c(=O)c21 ZINC000488806832 999614493 /nfs/dbraw/zinc/61/44/93/999614493.db2.gz VPBCMLBDZAIGFK-UHFFFAOYSA-N -1 3 420.834 3.679 20 5 HHBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(C)o1 ZINC000480020932 999689473 /nfs/dbraw/zinc/68/94/73/999689473.db2.gz OPRWWFRFJJFPBE-CYBMUJFWSA-N -1 3 422.381 3.571 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)c(Cl)c1 ZINC000480038936 999697048 /nfs/dbraw/zinc/69/70/48/999697048.db2.gz BOPHLOZXNRCQMR-AWEZNQCLSA-N -1 3 400.815 3.580 20 5 HHBDHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000490564621 999977882 /nfs/dbraw/zinc/97/78/82/999977882.db2.gz KTGKYBRLHOKTEE-UHFFFAOYSA-N -1 3 412.475 3.699 20 5 HHBDHM CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000490564621 999977885 /nfs/dbraw/zinc/97/78/85/999977885.db2.gz KTGKYBRLHOKTEE-UHFFFAOYSA-N -1 3 412.475 3.699 20 5 HHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000491571967 1000084687 /nfs/dbraw/zinc/08/46/87/1000084687.db2.gz JKJBCSOQVIVPNU-KRWDZBQOSA-N -1 3 416.459 3.740 20 5 HHBDHM O=C([N-]c1c(F)cc(Br)cc1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000497350737 1001303999 /nfs/dbraw/zinc/30/39/99/1001303999.db2.gz XDGOAQDFKMVCAJ-UHFFFAOYSA-N -1 3 401.119 3.617 20 5 HHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508081462 1002603085 /nfs/dbraw/zinc/60/30/85/1002603085.db2.gz CQEITCCAAIBVLI-UHFFFAOYSA-N -1 3 420.672 3.769 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@@](C)(F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000499682098 1003036560 /nfs/dbraw/zinc/03/65/60/1003036560.db2.gz BVLVKVLZTNKOLB-LJQANCHMSA-N -1 3 407.467 3.951 20 5 HHBDHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000511893602 1003870165 /nfs/dbraw/zinc/87/01/65/1003870165.db2.gz CSYDTYUSHDCHOD-UHFFFAOYSA-N -1 3 424.906 3.583 20 5 HHBDHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])co2)cc1 ZINC000509749720 1004070093 /nfs/dbraw/zinc/07/00/93/1004070093.db2.gz FJBNDZOXBWXENL-UHFFFAOYSA-N -1 3 421.862 3.733 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc(F)c1F ZINC000501157425 1004242024 /nfs/dbraw/zinc/24/20/24/1004242024.db2.gz JZSDKXDYGUWERK-MRVPVSSYSA-N -1 3 410.320 3.931 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000510660253 1004785103 /nfs/dbraw/zinc/78/51/03/1004785103.db2.gz UNESPBQAQJQKOV-VIFPVBQESA-N -1 3 403.229 3.536 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2n1C(F)F ZINC000511056603 1005000499 /nfs/dbraw/zinc/00/04/99/1005000499.db2.gz PDGGSKZZGWFKAW-VIFPVBQESA-N -1 3 414.365 3.518 20 5 HHBDHM COc1ccc2oc([C@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)c(C)c2c1 ZINC000517372646 1007605327 /nfs/dbraw/zinc/60/53/27/1007605327.db2.gz CWWHRYSJHQOMCK-NSHDSACASA-N -1 3 408.407 3.837 20 5 HHBDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000533465670 1007776829 /nfs/dbraw/zinc/77/68/29/1007776829.db2.gz TWKMTOMIBDDDIR-SKDRFNHKSA-N -1 3 404.366 3.809 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000533616786 1007918288 /nfs/dbraw/zinc/91/82/88/1007918288.db2.gz WYUQTWCNJQKPMK-UHFFFAOYSA-N -1 3 421.812 3.584 20 5 HHBDHM COc1ccc([N+](=O)[O-])c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000535998606 1008042919 /nfs/dbraw/zinc/04/29/19/1008042919.db2.gz QDUNFZZSKYMCPW-UHFFFAOYSA-N -1 3 405.838 3.818 20 5 HHBDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000543672626 1009284854 /nfs/dbraw/zinc/28/48/54/1009284854.db2.gz OEUCDSSSOIOPAM-FQEVSTJZSA-N -1 3 416.455 3.881 20 5 HHBDHM O=c1[n-]c(SCCOc2ccc([N+](=O)[O-])cc2)nc2c1cnn2-c1ccccc1 ZINC000520601970 1009678703 /nfs/dbraw/zinc/67/87/03/1009678703.db2.gz LNJCDYSAKUGFFC-UHFFFAOYSA-N -1 3 409.427 3.600 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)c1ccc(Cl)s1 ZINC000541328053 1012038330 /nfs/dbraw/zinc/03/83/30/1012038330.db2.gz SBMIPDROJRLGPO-LLVKDONJSA-N -1 3 418.880 3.526 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2(CO)CCCC2)c([N+](=O)[O-])s1 ZINC001212091123 1072066268 /nfs/dbraw/zinc/06/62/68/1072066268.db2.gz IDSPVXPXTUOBDT-INIZCTEOSA-N -1 3 410.517 3.537 20 5 HHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(F)c(F)cc1I ZINC000760303983 1072230924 /nfs/dbraw/zinc/23/09/24/1072230924.db2.gz IAALUJFVMQZOIK-UHFFFAOYSA-N -1 3 422.100 3.869 20 5 HHBDHM Cc1cccc([C@H]([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000301921853 971117180 /nfs/dbraw/zinc/11/71/80/971117180.db2.gz DUDVRFLFNSVNSX-KRWDZBQOSA-N -1 3 403.485 3.965 20 5 HHBDHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000303010182 971452032 /nfs/dbraw/zinc/45/20/32/971452032.db2.gz WRVSFJDOLLWHPX-UHFFFAOYSA-N -1 3 411.461 3.692 20 5 HHBDHM COCCCCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000052281812 964858142 /nfs/dbraw/zinc/85/81/42/964858142.db2.gz FPSPPUNWHGRRIG-UHFFFAOYSA-N -1 3 407.492 3.851 20 5 HHBDHM Cn1ccc2c([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])cccc2c1=O ZINC000410346167 973933971 /nfs/dbraw/zinc/93/39/71/973933971.db2.gz GQFVSFZBKKDGCQ-UHFFFAOYSA-N -1 3 408.233 3.523 20 5 HHBDHM Nc1c(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cc(F)cc1[N+](=O)[O-] ZINC000428886952 976183843 /nfs/dbraw/zinc/18/38/43/976183843.db2.gz JUWYZJKKSVEMAQ-UHFFFAOYSA-N -1 3 407.814 3.664 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)c(C(F)(F)F)c1 ZINC000435438103 980862773 /nfs/dbraw/zinc/86/27/73/980862773.db2.gz NDTBKMDZIYSRIN-NOZJJQNGSA-N -1 3 422.331 3.726 20 5 HHBDHM Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000436706237 981522868 /nfs/dbraw/zinc/52/28/68/981522868.db2.gz BZFYTQJHDMEUJV-UHFFFAOYSA-N -1 3 409.364 3.590 20 5 HHBDHM O=C(c1ccccc1[O-])N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000436856133 981593460 /nfs/dbraw/zinc/59/34/60/981593460.db2.gz RRCICCPBCWUMHA-UHFFFAOYSA-N -1 3 411.461 3.692 20 5 HHBDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)cc2)c1C ZINC000461207302 982921331 /nfs/dbraw/zinc/92/13/31/982921331.db2.gz JEOXRHFOFXFHPO-UHFFFAOYSA-N -1 3 400.460 3.815 20 5 HHBDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)c1C ZINC000461208225 982922004 /nfs/dbraw/zinc/92/20/04/982922004.db2.gz IFOBPWNNCRMBTD-UHFFFAOYSA-N -1 3 400.460 3.815 20 5 HHBDHM COCc1nc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])c(-c2ccccc2)s1 ZINC000441371575 984214903 /nfs/dbraw/zinc/21/49/03/984214903.db2.gz MDFDRSQFNPPQQE-UHFFFAOYSA-N -1 3 415.471 3.869 20 5 HHBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000462771598 985707697 /nfs/dbraw/zinc/70/76/97/985707697.db2.gz GFDLVZCJIJQGEQ-CQSZACIVSA-N -1 3 407.264 3.948 20 5 HHBDHM O=C([N-]c1c(F)cc(F)cc1F)c1ccc([N+](=O)[O-])cc1I ZINC000443917661 986120131 /nfs/dbraw/zinc/12/01/31/986120131.db2.gz RWDARNZXAJDJJX-UHFFFAOYSA-N -1 3 422.100 3.869 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1C ZINC000443985217 986187858 /nfs/dbraw/zinc/18/78/58/986187858.db2.gz YXTREXRSIHUGTI-AWEZNQCLSA-N -1 3 418.393 3.884 20 5 HHBDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000444193439 986371347 /nfs/dbraw/zinc/37/13/47/986371347.db2.gz QZCGQADBAGYUHA-UHFFFAOYSA-N -1 3 417.409 3.784 20 5 HHBDHM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)cc1 ZINC000468887205 986594148 /nfs/dbraw/zinc/59/41/48/986594148.db2.gz GXMDMJZAIOJAPN-LBPRGKRZSA-N -1 3 424.500 3.533 20 5 HHBDHM O=C(Nc1nc2ccccc2n1CCCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445182503 987263516 /nfs/dbraw/zinc/26/35/16/987263516.db2.gz IDLHLLIIKQBSBD-UHFFFAOYSA-N -1 3 417.425 3.930 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)ccc1[N+](=O)[O-] ZINC000466469933 991760883 /nfs/dbraw/zinc/76/08/83/991760883.db2.gz CYKZQIZTIPNWSH-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM COc1cc(CNc2ccc(CN(C)C)c(Br)c2)c([N+](=O)[O-])cc1[O-] ZINC000466747618 992055347 /nfs/dbraw/zinc/05/53/47/992055347.db2.gz LPNIMEPQJZOILQ-UHFFFAOYSA-N -1 3 410.268 3.745 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1nc(C(F)(F)F)cs1 ZINC000466870374 992191393 /nfs/dbraw/zinc/19/13/93/992191393.db2.gz MFLPZSAKOHMTPD-SNVBAGLBSA-N -1 3 409.411 3.808 20 5 HHBDHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)co2)cc1 ZINC000466915436 992229446 /nfs/dbraw/zinc/22/94/46/992229446.db2.gz KHCICHFIJXZMAQ-UHFFFAOYSA-N -1 3 401.444 3.654 20 5 HHBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000480765164 993630421 /nfs/dbraw/zinc/63/04/21/993630421.db2.gz YYORKRWVACBNDL-UHFFFAOYSA-N -1 3 422.323 3.846 20 5 HHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)c1C ZINC000480930187 993779994 /nfs/dbraw/zinc/77/99/94/993779994.db2.gz DLRFWXDJHXCTDL-GFCCVEGCSA-N -1 3 424.429 3.996 20 5 HHBDHM Cn1nc(C(F)F)c2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[n-]3)sc21 ZINC000473700754 994591677 /nfs/dbraw/zinc/59/16/77/994591677.db2.gz PCEJIGVSAUNWDW-UHFFFAOYSA-N -1 3 419.373 3.518 20 5 HHBDHM CCc1cc(Br)cc2sc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc21 ZINC000482274141 995251277 /nfs/dbraw/zinc/25/12/77/995251277.db2.gz ZKCXYFOYNLTZQY-UHFFFAOYSA-N -1 3 423.248 3.882 20 5 HHBDHM CCOc1cc([N-]C(=O)c2ccc(C(=O)OC)cc2F)c([N+](=O)[O-])cc1OCC ZINC000484098037 996569115 /nfs/dbraw/zinc/56/91/15/996569115.db2.gz MEWOTOVWDXEBFN-UHFFFAOYSA-N -1 3 406.366 3.570 20 5 HHBDHM COc1cc(OC)c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F ZINC000486176410 998621573 /nfs/dbraw/zinc/62/15/73/998621573.db2.gz LXLPGEWDMLDKKR-UHFFFAOYSA-N -1 3 405.201 3.827 20 5 HHBDHM COC(=O)c1cnc(Sc2nnc([N-]c3ccccc3F)s2)c([N+](=O)[O-])c1 ZINC000478293229 998869741 /nfs/dbraw/zinc/86/97/41/998869741.db2.gz MCDDTMSUGQABMT-UHFFFAOYSA-N -1 3 407.408 3.662 20 5 HHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)c2)n1 ZINC000478698841 999094720 /nfs/dbraw/zinc/09/47/20/999094720.db2.gz JRKFYQCXRSCMDX-UHFFFAOYSA-N -1 3 408.414 3.889 20 5 HHBDHM Cc1ccc(-c2nc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n[n-]2)o1 ZINC000479466679 999430205 /nfs/dbraw/zinc/43/02/05/999430205.db2.gz RWCOGCMHCZAOKS-GFCCVEGCSA-N -1 3 410.434 3.770 20 5 HHBDHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000488796432 999611131 /nfs/dbraw/zinc/61/11/31/999611131.db2.gz KVSHARFKKSMUQU-SFHVURJKSA-N -1 3 423.922 3.672 20 5 HHBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c1C ZINC000489486949 999776753 /nfs/dbraw/zinc/77/67/53/999776753.db2.gz WRJMJQNKTVRJPV-UHFFFAOYSA-N -1 3 403.504 3.917 20 5 HHBDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480631165 999845680 /nfs/dbraw/zinc/84/56/80/999845680.db2.gz NLMTXNLZTPEBGX-NRFANRHFSA-N -1 3 411.483 3.983 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(COc2ccc(F)cc2)o1 ZINC000490365400 999945279 /nfs/dbraw/zinc/94/52/79/999945279.db2.gz KFUUVCXKZRERRM-UHFFFAOYSA-N -1 3 423.360 3.943 20 5 HHBDHM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000507301851 1001983892 /nfs/dbraw/zinc/98/38/92/1001983892.db2.gz HZAVFTJDWDCFCM-SFHVURJKSA-N -1 3 421.457 3.505 20 5 HHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508067220 1002588527 /nfs/dbraw/zinc/58/85/27/1002588527.db2.gz IKYHTPDDVOEJOJ-MRXNPFEDSA-N -1 3 413.377 3.966 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1[N+](=O)[O-] ZINC000508074722 1002597435 /nfs/dbraw/zinc/59/74/35/1002597435.db2.gz SGVRWBSXRZXWKF-UHFFFAOYSA-N -1 3 406.645 3.515 20 5 HHBDHM O=C([N-]c1cc(F)c(Br)cc1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000510114385 1004333304 /nfs/dbraw/zinc/33/33/04/1004333304.db2.gz VHMKDFJIGWXRCU-UHFFFAOYSA-N -1 3 415.146 3.659 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510425675 1004558373 /nfs/dbraw/zinc/55/83/73/1004558373.db2.gz APGZJLKHCWUKQE-CYBMUJFWSA-N -1 3 414.867 3.695 20 5 HHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C(=O)c2ccc(F)cc2)CCC3)n1 ZINC000511506342 1005204689 /nfs/dbraw/zinc/20/46/89/1005204689.db2.gz MIDIQCHQGFAYCT-UHFFFAOYSA-N -1 3 414.418 3.501 20 5 HHBDHM O=C(Nc1nc2c(cccc2Cl)n1CC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000511550814 1005220632 /nfs/dbraw/zinc/22/06/32/1005220632.db2.gz IVTNVZPTTBKVRZ-UHFFFAOYSA-N -1 3 415.715 3.513 20 5 HHBDHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000515205706 1006338539 /nfs/dbraw/zinc/33/85/39/1006338539.db2.gz WHIKKTGDMMRNEX-UHFFFAOYSA-N -1 3 406.236 3.915 20 5 HHBDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000535421824 1007489144 /nfs/dbraw/zinc/48/91/44/1007489144.db2.gz RVLRTIMZEZMIBW-UHFFFAOYSA-N -1 3 406.394 3.915 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000533160045 1007498799 /nfs/dbraw/zinc/49/87/99/1007498799.db2.gz LMVJWZPHUYVUJH-UHFFFAOYSA-N -1 3 409.851 3.506 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000540320701 1008378695 /nfs/dbraw/zinc/37/86/95/1008378695.db2.gz JAZOJDPWSCBMJX-GDBMZVCRSA-N -1 3 417.270 3.710 20 5 HHBDHM Cn1c2ccc([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2nc1C(C)(C)C ZINC000544740382 1010345813 /nfs/dbraw/zinc/34/58/13/1010345813.db2.gz BOKRRULHUBHYRW-UHFFFAOYSA-N -1 3 402.476 3.721 20 5 HHBDHM CCOc1ccc(C(=O)[N-]c2nc(-c3ccc(OC)cc3)ns2)cc1[N+](=O)[O-] ZINC000551899033 1012019284 /nfs/dbraw/zinc/01/92/84/1012019284.db2.gz YERSIXJGMQOZKL-UHFFFAOYSA-N -1 3 400.416 3.773 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)c1ccc(Cl)s1 ZINC000541328054 1012038562 /nfs/dbraw/zinc/03/85/62/1012038562.db2.gz SBMIPDROJRLGPO-NSHDSACASA-N -1 3 418.880 3.526 20 5 HHBDHM COC(=O)CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)s1 ZINC000537153776 1012549249 /nfs/dbraw/zinc/54/92/49/1012549249.db2.gz AJFQLWNDBHAOGG-UHFFFAOYSA-N -1 3 424.504 3.695 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541832222 1012719891 /nfs/dbraw/zinc/71/98/91/1012719891.db2.gz YYBQFNJQCFRDSE-GOEBONIOSA-N -1 3 414.842 3.586 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](C)[C@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000541921333 1012782134 /nfs/dbraw/zinc/78/21/34/1012782134.db2.gz DQHOJZGWFGCAJX-CVEARBPZSA-N -1 3 419.503 3.849 20 5 HHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1Br ZINC000760335575 1072254446 /nfs/dbraw/zinc/25/44/46/1072254446.db2.gz SZYVPCAZYTYGDO-UHFFFAOYSA-N -1 3 409.620 3.951 20 5 HHBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)c1 ZINC000554876252 1072920461 /nfs/dbraw/zinc/92/04/61/1072920461.db2.gz FNKGKGQGRHRXDX-UHFFFAOYSA-N -1 3 408.414 3.971 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC23CCOCC3)c(Cl)c1 ZINC000554964473 1072997315 /nfs/dbraw/zinc/99/73/15/1072997315.db2.gz WTHVXPRNIOUBRX-GOSISDBHSA-N -1 3 422.890 3.621 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@](C)(CO)C3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301682099 971025893 /nfs/dbraw/zinc/02/58/93/971025893.db2.gz TXKJOAFZWZZVGK-FQEVSTJZSA-N -1 3 419.503 3.585 20 5 HHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H](c2cccc(F)c2)c2ccccn2)s1 ZINC000301941964 971127195 /nfs/dbraw/zinc/12/71/95/971127195.db2.gz WOOVBGPCMRAVCO-INIZCTEOSA-N -1 3 407.448 3.795 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3C[C@@H](O)C3(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000302431750 971237064 /nfs/dbraw/zinc/23/70/64/971237064.db2.gz OXQJMOKJWJCQTM-RBUKOAKNSA-N -1 3 419.503 3.584 20 5 HHBDHM CO[C@H]1CC[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1 ZINC000302779530 971316711 /nfs/dbraw/zinc/31/67/11/971316711.db2.gz QSYLGHQNUWDBGH-CVEARBPZSA-N -1 3 419.503 3.992 20 5 HHBDHM COC(=O)c1cccc2[n-]c(NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])nc21 ZINC000542229779 1013184042 /nfs/dbraw/zinc/18/40/42/1013184042.db2.gz RPEGKWXPMVHIMR-UHFFFAOYSA-N -1 3 420.834 3.642 20 5 HHBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000017333954 963191106 /nfs/dbraw/zinc/19/11/06/963191106.db2.gz FLHLUODIUPEYCI-UHFFFAOYSA-N -1 3 423.800 3.657 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000028054868 965030219 /nfs/dbraw/zinc/03/02/19/965030219.db2.gz FHKSMHVKFMFVGH-VIFPVBQESA-N -1 3 406.794 3.889 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c(Cl)c1 ZINC000056137641 966230029 /nfs/dbraw/zinc/23/00/29/966230029.db2.gz BTJAANNKZFVNKL-NVXWUHKLSA-N -1 3 414.842 3.586 20 5 HHBDHM Cc1cc(CNc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])no1 ZINC000063248382 966789390 /nfs/dbraw/zinc/78/93/90/966789390.db2.gz GDOBHKXDISEBKK-UHFFFAOYSA-N -1 3 416.459 3.921 20 5 HHBDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000066002236 968765702 /nfs/dbraw/zinc/76/57/02/968765702.db2.gz UTBXQGOXEXUNJK-NRFANRHFSA-N -1 3 412.467 3.980 20 5 HHBDHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000195731151 969987768 /nfs/dbraw/zinc/98/77/68/969987768.db2.gz XZAYQHZAHQOOGS-JTQLQIEISA-N -1 3 411.892 3.767 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2c2ccccc2)c(Cl)c1 ZINC000146245398 970284776 /nfs/dbraw/zinc/28/47/76/970284776.db2.gz GIYYDPPYQRATFS-KSSFIOAISA-N -1 3 410.879 3.694 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2coc3ccccc23)c(C(F)(F)F)c1 ZINC000432279342 978741528 /nfs/dbraw/zinc/74/15/28/978741528.db2.gz GIISCBOFDGNEJI-UHFFFAOYSA-N -1 3 400.334 3.838 20 5 HHBDHM CCOC(=O)c1nnc(-c2cccc(CNc3ccc([N+](=O)[O-])c4cccnc34)c2)[n-]1 ZINC000432928339 979014047 /nfs/dbraw/zinc/01/40/47/979014047.db2.gz MHXBKYQHZJUCQU-UHFFFAOYSA-N -1 3 418.413 3.717 20 5 HHBDHM CCOC(=O)c1nc(-c2cccc(CNc3ccc([N+](=O)[O-])c4cccnc34)c2)n[n-]1 ZINC000432928339 979014052 /nfs/dbraw/zinc/01/40/52/979014052.db2.gz MHXBKYQHZJUCQU-UHFFFAOYSA-N -1 3 418.413 3.717 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435438021 980862703 /nfs/dbraw/zinc/86/27/03/980862703.db2.gz NIXGLMHKECGQOF-UHFFFAOYSA-N -1 3 409.222 3.528 20 5 HHBDHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436633817 981485030 /nfs/dbraw/zinc/48/50/30/981485030.db2.gz INSSBYSFRPMLJQ-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436664747 981499964 /nfs/dbraw/zinc/49/99/64/981499964.db2.gz MOPVSZPGCHGJJG-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM O=C(c1ccccc1[O-])N1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000436733793 981536954 /nfs/dbraw/zinc/53/69/54/981536954.db2.gz ZECOOIKTVRBJST-UHFFFAOYSA-N -1 3 420.263 3.780 20 5 HHBDHM O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc([O-])c(Br)c1 ZINC000436793145 981564103 /nfs/dbraw/zinc/56/41/03/981564103.db2.gz PUTZFIGAELMGOM-YRNVUSSQSA-N -1 3 414.215 3.717 20 5 HHBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000437002527 981679063 /nfs/dbraw/zinc/67/90/63/981679063.db2.gz YNZSANBTPOQVJF-GOSISDBHSA-N -1 3 421.457 3.505 20 5 HHBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3ccccc3F)on2)cc1SC ZINC000448490599 981828677 /nfs/dbraw/zinc/82/86/77/981828677.db2.gz CLTJQFUCUMXWQN-UHFFFAOYSA-N -1 3 403.391 4.372 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000437306941 981958490 /nfs/dbraw/zinc/95/84/90/981958490.db2.gz QCBXLIVRXKRLAU-NXEZZACHSA-N -1 3 400.806 3.895 20 5 HHBDHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000460463732 982257349 /nfs/dbraw/zinc/25/73/49/982257349.db2.gz WLWDDKLSFMFUQG-UHFFFAOYSA-N -1 3 407.473 3.619 20 5 HHBDHM CSc1ccc(-c2nsc([N-]C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000440478633 983771435 /nfs/dbraw/zinc/77/14/35/983771435.db2.gz MCXTXQVOPUMQPW-UHFFFAOYSA-N -1 3 412.456 3.964 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](CCO)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000462114794 985083871 /nfs/dbraw/zinc/08/38/71/985083871.db2.gz YYFVHYMXPOJWNP-QGZVFWFLSA-N -1 3 421.519 3.831 20 5 HHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000442834091 985236385 /nfs/dbraw/zinc/23/63/85/985236385.db2.gz AEQDERTZQRYRAJ-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cc1[N+](=O)[O-] ZINC000442834746 985236405 /nfs/dbraw/zinc/23/64/05/985236405.db2.gz KXALELXGMLSONU-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3ccccc3[N+](=O)[O-])[n-]c(=O)c21 ZINC000463249875 986218753 /nfs/dbraw/zinc/21/87/53/986218753.db2.gz JGKGVEXVDYZIOH-JTQLQIEISA-N -1 3 400.416 3.587 20 5 HHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000468690044 986402256 /nfs/dbraw/zinc/40/22/56/986402256.db2.gz NOLARSAXLHHULR-UHFFFAOYSA-N -1 3 406.416 3.881 20 5 HHBDHM Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445011059 987142897 /nfs/dbraw/zinc/14/28/97/987142897.db2.gz VONMUKGPIVTHPZ-UHFFFAOYSA-N -1 3 421.388 3.949 20 5 HHBDHM COc1cc(Cc2noc(-c3cc4c(cc3[O-])CCCC4)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445819082 987883693 /nfs/dbraw/zinc/88/36/93/987883693.db2.gz OUSAUCVFDSYHMU-UHFFFAOYSA-N -1 3 411.414 3.837 20 5 HHBDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])o2)cs1 ZINC000480933170 993782794 /nfs/dbraw/zinc/78/27/94/993782794.db2.gz IPZQSPDWFOLDGS-UHFFFAOYSA-N -1 3 407.473 3.715 20 5 HHBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000481889932 994757698 /nfs/dbraw/zinc/75/76/98/994757698.db2.gz HLMQCYIDFPZGGL-UHFFFAOYSA-N -1 3 423.376 3.813 20 5 HHBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1[N+](=O)[O-] ZINC000481894239 994764115 /nfs/dbraw/zinc/76/41/15/994764115.db2.gz ZDQGJKDHQGLFQN-UHFFFAOYSA-N -1 3 403.243 3.946 20 5 HHBDHM Cc1ccccc1[C@H]([C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)C ZINC000473933434 994905995 /nfs/dbraw/zinc/90/59/95/994905995.db2.gz QUHIEARJSVPAQV-DYVFJYSZSA-N -1 3 411.911 3.526 20 5 HHBDHM Cn1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000476173091 996654356 /nfs/dbraw/zinc/65/43/56/996654356.db2.gz UNLHZPLPILKGTC-UHFFFAOYSA-N -1 3 406.320 3.972 20 5 HHBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488669621 999565852 /nfs/dbraw/zinc/56/58/52/999565852.db2.gz CLAJDBAJOIGVOA-JTQLQIEISA-N -1 3 411.277 3.860 20 5 HHBDHM Cc1ccc(NC(=O)c2ccc(NCc3nc(C(F)(F)F)n[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000480311732 999768578 /nfs/dbraw/zinc/76/85/78/999768578.db2.gz CCYAZBCXSPNSON-UHFFFAOYSA-N -1 3 420.351 3.905 20 5 HHBDHM CCOC(=O)c1nnc(-c2cccc(CNc3ccc(C(=O)CC)cc3[N+](=O)[O-])c2)[n-]1 ZINC000480508025 999814638 /nfs/dbraw/zinc/81/46/38/999814638.db2.gz CQNICUAKGNVGBG-UHFFFAOYSA-N -1 3 423.429 3.761 20 5 HHBDHM CCOC(=O)c1nc(-c2cccc(CNc3ccc(C(=O)CC)cc3[N+](=O)[O-])c2)n[n-]1 ZINC000480508025 999814642 /nfs/dbraw/zinc/81/46/42/999814642.db2.gz CQNICUAKGNVGBG-UHFFFAOYSA-N -1 3 423.429 3.761 20 5 HHBDHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000490056857 999886412 /nfs/dbraw/zinc/88/64/12/999886412.db2.gz HWSYPPNIRNQLOX-UHFFFAOYSA-N -1 3 403.192 3.501 20 5 HHBDHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)s2)o1 ZINC000490363056 999944972 /nfs/dbraw/zinc/94/49/72/999944972.db2.gz HMKNIXWCFUUPHP-UHFFFAOYSA-N -1 3 410.415 3.966 20 5 HHBDHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000490458774 999960830 /nfs/dbraw/zinc/96/08/30/999960830.db2.gz ORBWFXHPCWHPFM-UHFFFAOYSA-N -1 3 419.322 3.941 20 5 HHBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)cc1[N+](=O)[O-] ZINC000491300376 1000062989 /nfs/dbraw/zinc/06/29/89/1000062989.db2.gz XTQGMCKZOTULRP-CYBMUJFWSA-N -1 3 422.356 3.715 20 5 HHBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000492057605 1000107272 /nfs/dbraw/zinc/10/72/72/1000107272.db2.gz BGQDZBCUCZECAB-UHFFFAOYSA-N -1 3 416.397 3.606 20 5 HHBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000492057605 1000107274 /nfs/dbraw/zinc/10/72/74/1000107274.db2.gz BGQDZBCUCZECAB-UHFFFAOYSA-N -1 3 416.397 3.606 20 5 HHBDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000493786752 1000192979 /nfs/dbraw/zinc/19/29/79/1000192979.db2.gz AXLXYOTWSBTDDA-HXUWFJFHSA-N -1 3 416.455 3.881 20 5 HHBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)nc21 ZINC000494131053 1000322710 /nfs/dbraw/zinc/32/27/10/1000322710.db2.gz ORAQLDGBZAILAW-UHFFFAOYSA-N -1 3 408.292 3.529 20 5 HHBDHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507291608 1001975714 /nfs/dbraw/zinc/97/57/14/1001975714.db2.gz NXKLMADOEXQBBC-SFHVURJKSA-N -1 3 421.457 3.505 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)cccc32)c(Cl)c1 ZINC000511908515 1003884754 /nfs/dbraw/zinc/88/47/54/1003884754.db2.gz ADOIHJWAEIGTOA-CYBMUJFWSA-N -1 3 403.243 3.704 20 5 HHBDHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000509883201 1004176491 /nfs/dbraw/zinc/17/64/91/1004176491.db2.gz JFNIDBPLGJBHLD-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM CCOC(=O)c1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])sc(C)c1C[C@@H](C)CC ZINC000502539778 1005109437 /nfs/dbraw/zinc/10/94/37/1005109437.db2.gz KPKHRNUTGDHEMP-JTQLQIEISA-N -1 3 408.480 3.716 20 5 HHBDHM Cc1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cnc1N1CCCC[C@@H]1C ZINC000503274848 1005381863 /nfs/dbraw/zinc/38/18/63/1005381863.db2.gz JQVMLVPGBNAPEZ-LBPRGKRZSA-N -1 3 410.521 3.886 20 5 HHBDHM CO[C@@H](C)[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000516693806 1007239101 /nfs/dbraw/zinc/23/91/01/1007239101.db2.gz WOGPKQZFZJAOQM-CABCVRRESA-N -1 3 407.492 3.848 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000533160245 1007498681 /nfs/dbraw/zinc/49/86/81/1007498681.db2.gz WVPOBXGICPEUBV-UHFFFAOYSA-N -1 3 409.851 3.506 20 5 HHBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])cc1OC ZINC000533540094 1007862508 /nfs/dbraw/zinc/86/25/08/1007862508.db2.gz DBWGXTLRCKDDHM-UHFFFAOYSA-N -1 3 418.446 3.884 20 5 HHBDHM CC[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])C(C)(C)O ZINC000549221809 1008792003 /nfs/dbraw/zinc/79/20/03/1008792003.db2.gz CBODDTHUBZYCST-IBGZPJMESA-N -1 3 421.519 3.974 20 5 HHBDHM Cc1nc2cc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000550824893 1010204120 /nfs/dbraw/zinc/20/41/20/1010204120.db2.gz OWZYMVTXHAZOPI-UHFFFAOYSA-N -1 3 420.878 3.720 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000545356652 1010748247 /nfs/dbraw/zinc/74/82/47/1010748247.db2.gz JBXGSJCMQBWPFT-JTQLQIEISA-N -1 3 409.411 3.641 20 5 HHBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000522616423 1011115104 /nfs/dbraw/zinc/11/51/04/1011115104.db2.gz KUWWUXVPPVSFRD-UHFFFAOYSA-N -1 3 424.784 3.754 20 5 HHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000540765217 1011420211 /nfs/dbraw/zinc/42/02/11/1011420211.db2.gz CZRPWPDTFIACBJ-UHFFFAOYSA-N -1 3 412.475 3.843 20 5 HHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000540765217 1011420216 /nfs/dbraw/zinc/42/02/16/1011420216.db2.gz CZRPWPDTFIACBJ-UHFFFAOYSA-N -1 3 412.475 3.843 20 5 HHBDHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000523296891 1011777689 /nfs/dbraw/zinc/77/76/89/1011777689.db2.gz PHUJSOFGHIEQDK-UHFFFAOYSA-N -1 3 418.393 3.879 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H](C)[C@@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000541921336 1012781432 /nfs/dbraw/zinc/78/14/32/1012781432.db2.gz DQHOJZGWFGCAJX-JKSUJKDBSA-N -1 3 419.503 3.849 20 5 HHBDHM COc1cc(CNc2nc3cc4c(cc3s2)OCCCO4)c([N+](=O)[O-])cc1[O-] ZINC000537505993 1013019224 /nfs/dbraw/zinc/01/92/24/1013019224.db2.gz AIWDNKZEHIDBQG-UHFFFAOYSA-N -1 3 403.416 3.692 20 5 HHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)ccc1Br ZINC000760363810 1072281039 /nfs/dbraw/zinc/28/10/39/1072281039.db2.gz UMIMKZQHGWHYOE-UHFFFAOYSA-N -1 3 409.620 3.951 20 5 HHBDHM COC[C@@H]1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301540364 970972417 /nfs/dbraw/zinc/97/24/17/970972417.db2.gz NTXKOHYGQQFTJR-INIZCTEOSA-N -1 3 419.503 3.628 20 5 HHBDHM O=[N+]([O-])c1cnc(NCc2ccc([O-])c(Br)c2)c(Br)c1 ZINC000301691140 971029854 /nfs/dbraw/zinc/02/98/54/971029854.db2.gz KLEFWPKZQCNFNX-UHFFFAOYSA-N -1 3 403.030 3.833 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCO[C@@H](C)[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000301726461 971043672 /nfs/dbraw/zinc/04/36/72/971043672.db2.gz VHNNFWBQFXGLGN-CVEARBPZSA-N -1 3 419.503 3.626 20 5 HHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c1C ZINC000303021634 971460637 /nfs/dbraw/zinc/46/06/37/971460637.db2.gz LWNCAVDJZIFKTM-UHFFFAOYSA-N -1 3 421.544 3.874 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2nccnc2Sc2ccccc2)cc([N+](=O)[O-])c1 ZINC000542193158 1013136199 /nfs/dbraw/zinc/13/61/99/1013136199.db2.gz QKSKMXPCQYJGIR-UHFFFAOYSA-N -1 3 410.411 3.575 20 5 HHBDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C ZINC000007488915 961213644 /nfs/dbraw/zinc/21/36/44/961213644.db2.gz PFRSNRNCOMUHME-XFFZJAGNSA-N -1 3 405.819 3.725 20 5 HHBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000017333123 963189729 /nfs/dbraw/zinc/18/97/29/963189729.db2.gz JVHKITWEQFEPIO-UHFFFAOYSA-N -1 3 423.800 3.657 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000054124598 965391189 /nfs/dbraw/zinc/39/11/89/965391189.db2.gz ZLUFTRGKUCGIDU-MRXNPFEDSA-N -1 3 419.503 3.851 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(OCC(F)(F)F)cc1 ZINC000029971560 965578634 /nfs/dbraw/zinc/57/86/34/965578634.db2.gz JBZXKYZYAPLJJB-UHFFFAOYSA-N -1 3 424.784 3.668 20 5 HHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)c2)n1 ZINC000065734258 968617324 /nfs/dbraw/zinc/61/73/24/968617324.db2.gz XOALDNQAGYSZHJ-UHFFFAOYSA-N -1 3 417.425 3.501 20 5 HHBDHM COc1cc(CNCc2ccc([O-])c(F)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237099999 970222116 /nfs/dbraw/zinc/22/21/16/970222116.db2.gz PMPXOZQIMJUWTC-UHFFFAOYSA-N -1 3 404.316 3.679 20 5 HHBDHM O=C([O-])[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Oc1ccc(F)cc1 ZINC000426649477 974582415 /nfs/dbraw/zinc/58/24/15/974582415.db2.gz XTJQFRUPFFKSIB-IBGZPJMESA-N -1 3 400.362 3.616 20 5 HHBDHM CC(C)(C)c1nc(CN[C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cs1 ZINC000426747787 974632357 /nfs/dbraw/zinc/63/23/57/974632357.db2.gz RVCVXCGWKJSGCH-MRXNPFEDSA-N -1 3 402.476 3.616 20 5 HHBDHM CN(c1ccccc1)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000426778221 974653302 /nfs/dbraw/zinc/65/33/02/974653302.db2.gz VTUQFAKHLNFKBQ-OAQYLSRUSA-N -1 3 407.426 3.984 20 5 HHBDHM CCCOc1ccc(-c2csc([N-]C(=O)c3nn(CC)cc3[N+](=O)[O-])n2)cc1 ZINC000427112262 974912919 /nfs/dbraw/zinc/91/29/19/974912919.db2.gz AWSGUKBARPAEFE-UHFFFAOYSA-N -1 3 401.448 3.976 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccnc(N3CCc4ccccc4C3)c2)cc1[N+](=O)[O-] ZINC000427646549 975223291 /nfs/dbraw/zinc/22/32/91/975223291.db2.gz RSWNQCMPOQKUKN-UHFFFAOYSA-N -1 3 424.482 3.662 20 5 HHBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429840040 977109562 /nfs/dbraw/zinc/10/95/62/977109562.db2.gz ANHBCHCKMXPREZ-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000431918356 978600183 /nfs/dbraw/zinc/60/01/83/978600183.db2.gz HJOAPHCEFMQDLJ-ZBFHGGJFSA-N -1 3 423.922 3.580 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2OC(F)F)c(Cl)c1 ZINC000435598490 980955737 /nfs/dbraw/zinc/95/57/37/980955737.db2.gz OOXKSBWNGSXVNU-YPMHNXCESA-N -1 3 418.805 3.684 20 5 HHBDHM COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)ccc1[N+](=O)[O-] ZINC000436158137 981226443 /nfs/dbraw/zinc/22/64/43/981226443.db2.gz WDKWODBHAKHEIL-UHFFFAOYSA-N -1 3 400.840 3.845 20 5 HHBDHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000436995748 981675285 /nfs/dbraw/zinc/67/52/85/981675285.db2.gz DRALXYFKTJRSHU-FQEVSTJZSA-N -1 3 423.400 3.939 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000439230596 983320645 /nfs/dbraw/zinc/32/06/45/983320645.db2.gz BSGWMPAWMJZTGU-NSHDSACASA-N -1 3 420.310 3.552 20 5 HHBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442762247 985207787 /nfs/dbraw/zinc/20/77/87/985207787.db2.gz BIBOZGWTARDRPN-UHFFFAOYSA-N -1 3 423.376 3.813 20 5 HHBDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000462416941 985390175 /nfs/dbraw/zinc/39/01/75/985390175.db2.gz UUQMXHUWAIORTP-CQSZACIVSA-N -1 3 401.897 3.751 20 5 HHBDHM Cc1cccc(Oc2cc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)ccn2)c1C ZINC000462667571 985606915 /nfs/dbraw/zinc/60/69/15/985606915.db2.gz GYUGTHDIOARKRP-UHFFFAOYSA-N -1 3 419.484 3.939 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c(C(F)(F)F)c1 ZINC000443719600 985930239 /nfs/dbraw/zinc/93/02/39/985930239.db2.gz BYIFGBWLUJUYFW-UHFFFAOYSA-N -1 3 424.784 3.624 20 5 HHBDHM Cc1c(CN2CCSCC2)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000444033647 986229724 /nfs/dbraw/zinc/22/97/24/986229724.db2.gz RKGMFRNSWLYLFR-UHFFFAOYSA-N -1 3 421.544 3.561 20 5 HHBDHM O=C(Nc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 ZINC000445187630 987266403 /nfs/dbraw/zinc/26/64/03/987266403.db2.gz SWRAEWDLHVBYMV-UHFFFAOYSA-N -1 3 412.789 3.853 20 5 HHBDHM CCCOc1cc(NC(=O)NCc2ncccc2[O-])c([N+](=O)[O-])cc1OCCC ZINC000471170638 989297613 /nfs/dbraw/zinc/29/76/13/989297613.db2.gz WPLVVEALSCHAKF-UHFFFAOYSA-N -1 3 404.423 3.595 20 5 HHBDHM Cc1sc(S(=O)(=O)[N-][C@@H](Cc2ccc(C)cc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000467407303 992713128 /nfs/dbraw/zinc/71/31/28/992713128.db2.gz SUCGOPPQYVRPEO-KRWDZBQOSA-N -1 3 417.512 3.930 20 5 HHBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(OC(F)F)c1 ZINC000472336461 993344320 /nfs/dbraw/zinc/34/43/20/993344320.db2.gz NDSXPKJMAZPMDL-UHFFFAOYSA-N -1 3 422.431 3.525 20 5 HHBDHM O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000473206471 994067898 /nfs/dbraw/zinc/06/78/98/994067898.db2.gz MNNNZBMSJHYOTK-UHFFFAOYSA-N -1 3 400.778 3.575 20 5 HHBDHM CSc1ccc(C(=O)c2ccccc2C(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000473645431 994529479 /nfs/dbraw/zinc/52/94/79/994529479.db2.gz XAMUGWKPGLOHSH-UHFFFAOYSA-N -1 3 423.450 3.578 20 5 HHBDHM CC(C)c1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000482718428 995704630 /nfs/dbraw/zinc/70/46/30/995704630.db2.gz CCOZSAFJPOUITI-UHFFFAOYSA-N -1 3 401.810 3.910 20 5 HHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484138701 996593102 /nfs/dbraw/zinc/59/31/02/996593102.db2.gz TTZPAXBCRIHBAV-UHFFFAOYSA-N -1 3 409.427 3.642 20 5 HHBDHM CCC(CC)(CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000476825921 997385611 /nfs/dbraw/zinc/38/56/11/997385611.db2.gz SKFGQTQTULWQHC-UHFFFAOYSA-N -1 3 421.519 3.975 20 5 HHBDHM CCc1cc(=O)[n-]c(CSCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])n1 ZINC000477366569 998054094 /nfs/dbraw/zinc/05/40/94/998054094.db2.gz RHQZOYCKAHFUBI-UHFFFAOYSA-N -1 3 401.391 3.696 20 5 HHBDHM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)ccc1[N+](=O)[O-] ZINC000477425183 998116631 /nfs/dbraw/zinc/11/66/31/998116631.db2.gz MXZNZOBMXPVPGT-UHFFFAOYSA-N -1 3 421.656 3.820 20 5 HHBDHM O=[N+]([O-])c1ccc(-c2noc([N-]Cc3nn(-c4ccccc4)c4c3CCC4)n2)cc1 ZINC000486963338 999020065 /nfs/dbraw/zinc/02/00/65/999020065.db2.gz FVLMUUCOFLSQAN-UHFFFAOYSA-N -1 3 402.414 3.931 20 5 HHBDHM Cc1ccc(-c2nc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n[n-]2)o1 ZINC000479447608 999422128 /nfs/dbraw/zinc/42/21/28/999422128.db2.gz QLPYZUMCYGBADP-UHFFFAOYSA-N -1 3 410.434 3.770 20 5 HHBDHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489085365 999694744 /nfs/dbraw/zinc/69/47/44/999694744.db2.gz XSTRBWGTBQCLJW-UHFFFAOYSA-N -1 3 404.791 3.748 20 5 HHBDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000480712754 999865741 /nfs/dbraw/zinc/86/57/41/999865741.db2.gz TWKOTMDFNURZNC-UHFFFAOYSA-N -1 3 424.784 3.754 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000491571449 1000084387 /nfs/dbraw/zinc/08/43/87/1000084387.db2.gz DOIIESFYOHCIAD-UHFFFAOYSA-N -1 3 424.438 3.948 20 5 HHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000491571968 1000084624 /nfs/dbraw/zinc/08/46/24/1000084624.db2.gz JKJBCSOQVIVPNU-QGZVFWFLSA-N -1 3 416.459 3.740 20 5 HHBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000493826232 1000196122 /nfs/dbraw/zinc/19/61/22/1000196122.db2.gz WUPWBWAKJNRZPD-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)cc1C ZINC000497758176 1001506279 /nfs/dbraw/zinc/50/62/79/1001506279.db2.gz PJXVPBHIXCRWQC-LBPRGKRZSA-N -1 3 424.429 3.996 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507938219 1002472738 /nfs/dbraw/zinc/47/27/38/1002472738.db2.gz QNDKWJGBSJHVOW-ZDUSSCGKSA-N -1 3 422.356 3.715 20 5 HHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1 ZINC000508090875 1002614075 /nfs/dbraw/zinc/61/40/75/1002614075.db2.gz YIWWJISHOJEAGA-UHFFFAOYSA-N -1 3 420.672 3.823 20 5 HHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])c2)n1 ZINC000500338269 1003637125 /nfs/dbraw/zinc/63/71/25/1003637125.db2.gz UIGPFAWYBUOZPV-UHFFFAOYSA-N -1 3 424.413 3.589 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nc3cc(Cl)ccc3s2)c(F)c1 ZINC000531532999 1006260736 /nfs/dbraw/zinc/26/07/36/1006260736.db2.gz IZZVNVYZSVGWSW-UHFFFAOYSA-N -1 3 415.855 3.518 20 5 HHBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)oc2c1 ZINC000538498663 1006767326 /nfs/dbraw/zinc/76/73/26/1006767326.db2.gz RLTMRKFEUMERJZ-UHFFFAOYSA-N -1 3 424.438 3.782 20 5 HHBDHM O=C([N-]c1cc(F)c(Br)cc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533115424 1007462528 /nfs/dbraw/zinc/46/25/28/1007462528.db2.gz DPPARBHOGZMIAA-UHFFFAOYSA-N -1 3 401.119 3.617 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)c(Cl)c1 ZINC000519069358 1008517175 /nfs/dbraw/zinc/51/71/75/1008517175.db2.gz NZTKCHURCGLAMS-UHFFFAOYSA-N -1 3 402.831 3.525 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000549522338 1009131337 /nfs/dbraw/zinc/13/13/37/1009131337.db2.gz BOSPYXACDOZYFM-NSHDSACASA-N -1 3 424.841 3.613 20 5 HHBDHM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2[N+](=O)[O-])C1 ZINC000521465026 1010386987 /nfs/dbraw/zinc/38/69/87/1010386987.db2.gz LIGPMZNBDLLUHJ-ZIAGYGMSSA-N -1 3 421.461 3.510 20 5 HHBDHM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2[N+](=O)[O-])C1 ZINC000521465026 1010386997 /nfs/dbraw/zinc/38/69/97/1010386997.db2.gz LIGPMZNBDLLUHJ-ZIAGYGMSSA-N -1 3 421.461 3.510 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(COc2cccc(C(C)=O)c2)on1 ZINC000536120326 1011239423 /nfs/dbraw/zinc/23/94/23/1011239423.db2.gz RYGLVUIXWNXMFS-UHFFFAOYSA-N -1 3 411.370 3.625 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC[C@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000541336996 1012047791 /nfs/dbraw/zinc/04/77/91/1012047791.db2.gz HOCSKZIJCNEXAE-INIZCTEOSA-N -1 3 419.503 3.851 20 5 HHBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000523707293 1012313207 /nfs/dbraw/zinc/31/32/07/1012313207.db2.gz XXGMUNOGSXAEBW-UHFFFAOYSA-N -1 3 401.386 3.771 20 5 HHBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000523707293 1012313219 /nfs/dbraw/zinc/31/32/19/1012313219.db2.gz XXGMUNOGSXAEBW-UHFFFAOYSA-N -1 3 401.386 3.771 20 5 HHBDHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(SCc2ccc(F)cc2)s1 ZINC000541855660 1012739211 /nfs/dbraw/zinc/73/92/11/1012739211.db2.gz QJXGFTKLDMEPQB-UHFFFAOYSA-N -1 3 405.436 3.712 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2cn(C)c3ccc(F)cc23)c(F)cc1[N+](=O)[O-] ZINC001212145464 1072548258 /nfs/dbraw/zinc/54/82/58/1072548258.db2.gz MIICQKKDAPZXAB-LBPRGKRZSA-N -1 3 423.441 3.583 20 5 HHBDHM O=C(Nc1ncc(-c2ccc(Br)cc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000588780882 1073206742 /nfs/dbraw/zinc/20/67/42/1073206742.db2.gz FDZTUVKSPYMCAO-UHFFFAOYSA-N -1 3 421.232 3.834 20 5 HHBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccc4ccccc4n3)n2)c1 ZINC000590556913 1073892236 /nfs/dbraw/zinc/89/22/36/1073892236.db2.gz SJLAGYIKIVJNHW-UHFFFAOYSA-N -1 3 406.427 3.902 20 5 HHBDHM Cc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000575079169 1075471710 /nfs/dbraw/zinc/47/17/10/1075471710.db2.gz QEAAKQDZOMFTCI-KRWDZBQOSA-N -1 3 421.457 3.505 20 5 HHBDHM COc1cc(F)c([N+](=O)[O-])c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000301457447 970938055 /nfs/dbraw/zinc/93/80/55/970938055.db2.gz XLQLPMPEHYJWQS-UHFFFAOYSA-N -1 3 423.828 3.957 20 5 HHBDHM COc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c([N+](=O)[O-])cc1F ZINC000301635642 971010492 /nfs/dbraw/zinc/01/04/92/971010492.db2.gz WJXLTIYSZGAGSU-UHFFFAOYSA-N -1 3 423.828 3.957 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCO[C@@H](C)[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000301726462 971043489 /nfs/dbraw/zinc/04/34/89/971043489.db2.gz VHNNFWBQFXGLGN-HOTGVXAUSA-N -1 3 419.503 3.626 20 5 HHBDHM COc1ccccc1[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000301924786 971118639 /nfs/dbraw/zinc/11/86/39/971118639.db2.gz GNRNBFVXVGCWAW-KRWDZBQOSA-N -1 3 419.484 3.665 20 5 HHBDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000302977177 971431157 /nfs/dbraw/zinc/43/11/57/971431157.db2.gz HECWTALPPCGDBJ-QGZVFWFLSA-N -1 3 411.911 3.610 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000050534851 964349448 /nfs/dbraw/zinc/34/94/48/964349448.db2.gz OYVQESXXEIFYHJ-UHFFFAOYSA-N -1 3 407.517 3.566 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1 ZINC000026877725 964706311 /nfs/dbraw/zinc/70/63/11/964706311.db2.gz CKEONQMYEGNDLQ-IUCAKERBSA-N -1 3 420.331 3.783 20 5 HHBDHM COc1cc([C@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)c([N+](=O)[O-])cc1[O-] ZINC000028924016 965217601 /nfs/dbraw/zinc/21/76/01/965217601.db2.gz SGPDBTSIAIUIBK-FQEVSTJZSA-N -1 3 409.398 3.693 20 5 HHBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000029255652 965321425 /nfs/dbraw/zinc/32/14/25/965321425.db2.gz FJXMCQKUCDZFGJ-UHFFFAOYSA-N -1 3 414.867 3.524 20 5 HHBDHM O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000029793970 965502562 /nfs/dbraw/zinc/50/25/62/965502562.db2.gz SQRFRNZFVHMRFY-UHFFFAOYSA-N -1 3 424.360 3.602 20 5 HHBDHM COc1ccc2cc(C[N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2c1 ZINC000029971214 965579299 /nfs/dbraw/zinc/57/92/99/965579299.db2.gz RQVUZUGLZZKTRU-UHFFFAOYSA-N -1 3 406.847 3.889 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3)c2)c(Cl)c1 ZINC000056063189 966198089 /nfs/dbraw/zinc/19/80/89/966198089.db2.gz PZLBYMMUBFBGAT-UHFFFAOYSA-N -1 3 419.846 3.914 20 5 HHBDHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000056249228 966273682 /nfs/dbraw/zinc/27/36/82/966273682.db2.gz KHJFVSGITARXDA-UHFFFAOYSA-N -1 3 400.807 3.895 20 5 HHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)ccc1Cl ZINC000097336915 969126185 /nfs/dbraw/zinc/12/61/85/969126185.db2.gz MLDBWGHRFBRWMU-UHFFFAOYSA-N -1 3 409.620 3.951 20 5 HHBDHM COc1ccc(Br)c(CS(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000410335573 973915749 /nfs/dbraw/zinc/91/57/49/973915749.db2.gz SLDSOGCJMTYSGD-UHFFFAOYSA-N -1 3 415.265 3.616 20 5 HHBDHM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426675538 974595244 /nfs/dbraw/zinc/59/52/44/974595244.db2.gz TVPSVLAHLMTCBZ-IBGZPJMESA-N -1 3 422.466 3.985 20 5 HHBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1csc(-c2ccc(F)cc2)n1 ZINC000426765582 974643131 /nfs/dbraw/zinc/64/31/31/974643131.db2.gz PVWVTCVYKCUZHF-KRWDZBQOSA-N -1 3 401.419 3.643 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3cc(F)c(Br)cc3s2)n1 ZINC000427349515 975071028 /nfs/dbraw/zinc/07/10/28/975071028.db2.gz JKVOYGSVVUTSTL-UHFFFAOYSA-N -1 3 414.216 3.575 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)cc1[N+](=O)[O-] ZINC000430361705 977502352 /nfs/dbraw/zinc/50/23/52/977502352.db2.gz ZVQBVSRRSCYTCP-UHFFFAOYSA-N -1 3 412.851 3.771 20 5 HHBDHM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000432587598 978902009 /nfs/dbraw/zinc/90/20/09/978902009.db2.gz LUNRDDRTNBLVDE-AWEZNQCLSA-N -1 3 424.438 3.896 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)cc1[N+](=O)[O-] ZINC000432650125 978925723 /nfs/dbraw/zinc/92/57/23/978925723.db2.gz YSWQUBURBIOGHC-UHFFFAOYSA-N -1 3 419.228 3.614 20 5 HHBDHM COc1cc(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)c([N+](=O)[O-])cc1OC(F)F ZINC000448539125 981867494 /nfs/dbraw/zinc/86/74/94/981867494.db2.gz RUICCIHEKSFHPI-UHFFFAOYSA-N -1 3 423.303 4.251 20 5 HHBDHM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000438805503 983081880 /nfs/dbraw/zinc/08/18/80/983081880.db2.gz MUKJIZHJVMUNTF-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000461429296 983092293 /nfs/dbraw/zinc/09/22/93/983092293.db2.gz JGPPHHQEHGBEKI-UHFFFAOYSA-N -1 3 403.229 3.914 20 5 HHBDHM Cc1ccc([C@@H](Cn2ccnc2)[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)c1 ZINC000441929095 984546786 /nfs/dbraw/zinc/54/67/86/984546786.db2.gz HGXQLCADODPUCP-LJQANCHMSA-N -1 3 404.430 4.312 20 5 HHBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000462413978 985388167 /nfs/dbraw/zinc/38/81/67/985388167.db2.gz YDOSSNYITPAJBR-CQSZACIVSA-N -1 3 405.259 3.568 20 5 HHBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000462413977 985388626 /nfs/dbraw/zinc/38/86/26/985388626.db2.gz YDOSSNYITPAJBR-AWEZNQCLSA-N -1 3 405.259 3.568 20 5 HHBDHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)on1 ZINC000464431023 988603129 /nfs/dbraw/zinc/60/31/29/988603129.db2.gz SZIXOXIKCIFMJR-UHFFFAOYSA-N -1 3 404.448 3.513 20 5 HHBDHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467786195 993023353 /nfs/dbraw/zinc/02/33/53/993023353.db2.gz IBWLUMXVXSWAQI-YJBOKZPZSA-N -1 3 410.879 3.755 20 5 HHBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000473896463 994852681 /nfs/dbraw/zinc/85/26/81/994852681.db2.gz RUVVRRPJEBWTMV-UHFFFAOYSA-N -1 3 415.413 3.695 20 5 HHBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000473896463 994852686 /nfs/dbraw/zinc/85/26/86/994852686.db2.gz RUVVRRPJEBWTMV-UHFFFAOYSA-N -1 3 415.413 3.695 20 5 HHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000481968664 994857863 /nfs/dbraw/zinc/85/78/63/994857863.db2.gz AZQCNRYZJIHIQZ-QGZVFWFLSA-N -1 3 416.459 3.740 20 5 HHBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000485128292 997513339 /nfs/dbraw/zinc/51/33/39/997513339.db2.gz MZRUOTWBFZDXDA-UHFFFAOYSA-N -1 3 400.354 3.927 20 5 HHBDHM CC(C)c1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000486097127 998545295 /nfs/dbraw/zinc/54/52/95/998545295.db2.gz XLZYMRXWWIEWHX-UHFFFAOYSA-N -1 3 414.487 3.888 20 5 HHBDHM COC(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F ZINC000486306574 998704894 /nfs/dbraw/zinc/70/48/94/998704894.db2.gz YSDXADCJLYLWMQ-UHFFFAOYSA-N -1 3 403.185 3.597 20 5 HHBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1F ZINC000478085294 998754292 /nfs/dbraw/zinc/75/42/92/998754292.db2.gz IXZJUDASPWLIMX-UHFFFAOYSA-N -1 3 415.146 3.674 20 5 HHBDHM CC(C)([C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000487125128 999072630 /nfs/dbraw/zinc/07/26/30/999072630.db2.gz XOWAOYJKTHAZLK-IBGZPJMESA-N -1 3 419.428 3.924 20 5 HHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000488689740 999574055 /nfs/dbraw/zinc/57/40/55/999574055.db2.gz WTYREFQKJHCJIX-UHFFFAOYSA-N -1 3 406.236 3.567 20 5 HHBDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480629464 999845175 /nfs/dbraw/zinc/84/51/75/999845175.db2.gz DQGBFGHFDKEHLL-IBGZPJMESA-N -1 3 411.483 3.983 20 5 HHBDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480629465 999845307 /nfs/dbraw/zinc/84/53/07/999845307.db2.gz DQGBFGHFDKEHLL-LJQANCHMSA-N -1 3 411.483 3.983 20 5 HHBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)nc21 ZINC000494088821 1000302505 /nfs/dbraw/zinc/30/25/05/1000302505.db2.gz HFEMWFCRYOEXKX-UHFFFAOYSA-N -1 3 423.410 3.634 20 5 HHBDHM C[C@H](Nc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507250454 1001933734 /nfs/dbraw/zinc/93/37/34/1001933734.db2.gz AIUFPMUARYEFOW-VIFPVBQESA-N -1 3 421.339 3.552 20 5 HHBDHM C[C@H](Nc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507250454 1001933730 /nfs/dbraw/zinc/93/37/30/1001933730.db2.gz AIUFPMUARYEFOW-VIFPVBQESA-N -1 3 421.339 3.552 20 5 HHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508127936 1002658370 /nfs/dbraw/zinc/65/83/70/1002658370.db2.gz LSXGCCWLDQFQNT-MRXNPFEDSA-N -1 3 413.377 3.966 20 5 HHBDHM COc1ccc([N-]C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c([N+](=O)[O-])c1 ZINC000499292400 1002703444 /nfs/dbraw/zinc/70/34/44/1002703444.db2.gz FTSPXNVFAOALST-UHFFFAOYSA-N -1 3 413.821 3.967 20 5 HHBDHM COc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1OC1CCCC1 ZINC000500149139 1003505519 /nfs/dbraw/zinc/50/55/19/1003505519.db2.gz QIVFKKZSKNJRCU-UHFFFAOYSA-N -1 3 424.450 3.542 20 5 HHBDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000512770847 1004550041 /nfs/dbraw/zinc/55/00/41/1004550041.db2.gz PEJUDSGFAGEQQW-CQSZACIVSA-N -1 3 417.940 3.671 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510425676 1004558315 /nfs/dbraw/zinc/55/83/15/1004558315.db2.gz APGZJLKHCWUKQE-ZDUSSCGKSA-N -1 3 414.867 3.695 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)c2ccccc2)c(Cl)c1 ZINC000513013766 1004759360 /nfs/dbraw/zinc/75/93/60/1004759360.db2.gz BDGURUXXABNHCY-CXAGYDPISA-N -1 3 410.879 3.694 20 5 HHBDHM C[C@@H]1CCc2c(sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c2C(=O)c2ccccc2)C1 ZINC000502797273 1005222112 /nfs/dbraw/zinc/22/21/12/1005222112.db2.gz UXGIWPGWDSPWMK-GFCCVEGCSA-N -1 3 424.482 3.998 20 5 HHBDHM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000531780672 1006421866 /nfs/dbraw/zinc/42/18/66/1006421866.db2.gz IHSMVDCKUUDBHU-UHFFFAOYSA-N -1 3 404.448 3.623 20 5 HHBDHM COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000534967524 1007020590 /nfs/dbraw/zinc/02/05/90/1007020590.db2.gz ITUJMDBRHCGGNG-UHFFFAOYSA-N -1 3 424.504 3.651 20 5 HHBDHM COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000534996320 1007056647 /nfs/dbraw/zinc/05/66/47/1007056647.db2.gz XHNQFWSOKSWZMP-UHFFFAOYSA-N -1 3 410.835 3.861 20 5 HHBDHM CO[C@H](C)[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000516693807 1007238869 /nfs/dbraw/zinc/23/88/69/1007238869.db2.gz WOGPKQZFZJAOQM-HUUCEWRRSA-N -1 3 407.492 3.848 20 5 HHBDHM CCOc1cc([N-]C(=O)c2csc([C@H]3CCCO3)n2)c([N+](=O)[O-])cc1OCC ZINC000533780137 1008104604 /nfs/dbraw/zinc/10/46/04/1008104604.db2.gz COYBYHSCTVJUDI-CQSZACIVSA-N -1 3 407.448 3.953 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1c(C)noc1C ZINC000533797701 1008118105 /nfs/dbraw/zinc/11/81/05/1008118105.db2.gz SFKOSGYVJZIGKQ-LBPRGKRZSA-N -1 3 407.370 3.648 20 5 HHBDHM Cc1ccc(C(=O)c2c([N-]C(=O)c3ccc([N+](=O)[O-])cn3)sc3c2CCOC3)cc1 ZINC000546814653 1009774993 /nfs/dbraw/zinc/77/49/93/1009774993.db2.gz MKRNJLIEHVSWFZ-UHFFFAOYSA-N -1 3 423.450 3.916 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2cnc(-c3ccccc3F)s2)cc([N+](=O)[O-])c1 ZINC000522871240 1011313805 /nfs/dbraw/zinc/31/38/05/1011313805.db2.gz FEBWCLWHWXZAMT-UHFFFAOYSA-N -1 3 401.375 3.896 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCO[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000536721332 1011894999 /nfs/dbraw/zinc/89/49/99/1011894999.db2.gz BQPGMVGNKOHDLJ-HOTGVXAUSA-N -1 3 419.503 3.992 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000541308149 1012016405 /nfs/dbraw/zinc/01/64/05/1012016405.db2.gz CGAUVMBSYPPPBA-UHFFFAOYSA-N -1 3 424.784 3.754 20 5 HHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1Br ZINC000760335910 1072254458 /nfs/dbraw/zinc/25/44/58/1072254458.db2.gz BTOJNXYKTPMPJW-UHFFFAOYSA-N -1 3 411.155 3.575 20 5 HHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1Br ZINC000760337927 1072256300 /nfs/dbraw/zinc/25/63/00/1072256300.db2.gz BTNCSDGSXIHNIL-UHFFFAOYSA-N -1 3 409.620 3.951 20 5 HHBDHM COc1cc(COC(=O)c2cc(-c3ccco3)[n-]n2)c([N+](=O)[O-])cc1OC(F)F ZINC000913298684 1072360096 /nfs/dbraw/zinc/36/00/96/1072360096.db2.gz AKQHLHHQKUWPHA-UHFFFAOYSA-N -1 3 409.301 3.545 20 5 HHBDHM COc1cc(COC(=O)c2cc(-c3ccco3)n[n-]2)c([N+](=O)[O-])cc1OC(F)F ZINC000913298684 1072360104 /nfs/dbraw/zinc/36/01/04/1072360104.db2.gz AKQHLHHQKUWPHA-UHFFFAOYSA-N -1 3 409.301 3.545 20 5 HHBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000555788190 1073823138 /nfs/dbraw/zinc/82/31/38/1073823138.db2.gz OLRCHXXYVKBMHQ-UHFFFAOYSA-N -1 3 420.248 3.832 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(OC(F)F)c2)c(F)cc1[N+](=O)[O-] ZINC000590590788 1073931047 /nfs/dbraw/zinc/93/10/47/1073931047.db2.gz BFEUTULSRZMXOS-SNVBAGLBSA-N -1 3 404.366 3.683 20 5 HHBDHM CC[C@@H]1COCCN1c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301326159 970868994 /nfs/dbraw/zinc/86/89/94/970868994.db2.gz YWEKAVIUCAOIAU-MRXNPFEDSA-N -1 3 419.503 3.628 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCC(C)(C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000302360835 971226508 /nfs/dbraw/zinc/22/65/08/971226508.db2.gz BQPYUUZURCGEFI-UHFFFAOYSA-N -1 3 407.492 3.585 20 5 HHBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000302977174 971430944 /nfs/dbraw/zinc/43/09/44/971430944.db2.gz HECWTALPPCGDBJ-KRWDZBQOSA-N -1 3 411.911 3.610 20 5 HHBDHM CNC(=O)c1ccc(Sc2nnc([N-]c3ccccc3F)s2)c([N+](=O)[O-])c1 ZINC000053551256 965212699 /nfs/dbraw/zinc/21/26/99/965212699.db2.gz RQFSRBVOTUKNAU-UHFFFAOYSA-N -1 3 405.436 3.840 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1sccc1Br ZINC000058510778 965763170 /nfs/dbraw/zinc/76/31/70/965763170.db2.gz VFGUEAPGMTYOAL-UHFFFAOYSA-N -1 3 411.686 3.551 20 5 HHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccc1Cl ZINC000109022214 969451487 /nfs/dbraw/zinc/45/14/87/969451487.db2.gz LMCZFHTZBOPHQU-MRXNPFEDSA-N -1 3 422.850 3.777 20 5 HHBDHM COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N-][C@H](c1ccccc1)c1ccccn1 ZINC000111220833 969808422 /nfs/dbraw/zinc/80/84/22/969808422.db2.gz QLGUEFSRPUHKCD-GOSISDBHSA-N -1 3 408.370 3.886 20 5 HHBDHM O=C(Cc1cccc2ccccc21)[N-]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000112627814 969819359 /nfs/dbraw/zinc/81/93/59/969819359.db2.gz CIXCHDQXEXLOAF-UHFFFAOYSA-N -1 3 413.817 3.630 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])c(F)cc1F ZINC000429924845 977202480 /nfs/dbraw/zinc/20/24/80/977202480.db2.gz LRRKXNMIVJEURW-UHFFFAOYSA-N -1 3 415.146 3.674 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000430206853 977391379 /nfs/dbraw/zinc/39/13/79/977391379.db2.gz LPEVSXTXBKBVPZ-UHFFFAOYSA-N -1 3 419.865 3.813 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCC[C@H](C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000432829916 978986849 /nfs/dbraw/zinc/98/68/49/978986849.db2.gz PIPVBFTXYLVUQI-HNNXBMFYSA-N -1 3 407.492 3.585 20 5 HHBDHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435545663 980933245 /nfs/dbraw/zinc/93/32/45/980933245.db2.gz XNMHESVGICPBGU-UHFFFAOYSA-N -1 3 406.416 3.605 20 5 HHBDHM O=[N+]([O-])c1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)ccc1-n1cncn1 ZINC000436615167 981475505 /nfs/dbraw/zinc/47/55/05/981475505.db2.gz CMXHMEYCSONIJM-UHFFFAOYSA-N -1 3 400.354 3.751 20 5 HHBDHM COc1ccc(Sc2nsc([N-]C(=O)c3ccc([N+](=O)[O-])c(OC)c3)n2)cc1 ZINC000439727505 983516683 /nfs/dbraw/zinc/51/66/83/983516683.db2.gz DRSSQKJUYYVOKC-UHFFFAOYSA-N -1 3 418.456 3.867 20 5 HHBDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000462541403 985489666 /nfs/dbraw/zinc/48/96/66/985489666.db2.gz CBUZAYCTGOEWDR-VIFPVBQESA-N -1 3 405.295 3.767 20 5 HHBDHM COc1nc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n[n-]1 ZINC000468353795 986050768 /nfs/dbraw/zinc/05/07/68/986050768.db2.gz SDHZZLDPJFBDER-UHFFFAOYSA-N -1 3 405.823 3.778 20 5 HHBDHM COc1n[n-]c(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000468353795 986050777 /nfs/dbraw/zinc/05/07/77/986050777.db2.gz SDHZZLDPJFBDER-UHFFFAOYSA-N -1 3 405.823 3.778 20 5 HHBDHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000464645673 988827894 /nfs/dbraw/zinc/82/78/94/988827894.db2.gz VVXWAHUZYSEWQH-UHFFFAOYSA-N -1 3 400.807 3.667 20 5 HHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000466471149 991762547 /nfs/dbraw/zinc/76/25/47/991762547.db2.gz QVWPVCZDJCLTNH-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467794977 993030195 /nfs/dbraw/zinc/03/01/95/993030195.db2.gz AYMPQFJNODQFSF-AEFFLSMTSA-N -1 3 410.879 3.755 20 5 HHBDHM C/C=C/C[C@@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000472647245 993583725 /nfs/dbraw/zinc/58/37/25/993583725.db2.gz CENMIZWRWLLTAY-APHBUQMISA-N -1 3 419.503 3.751 20 5 HHBDHM Cc1cccc(Cc2cnc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)s2)c1Cl ZINC000472917913 993845585 /nfs/dbraw/zinc/84/55/85/993845585.db2.gz KRDDPFQJKKVDGX-UHFFFAOYSA-N -1 3 404.835 3.957 20 5 HHBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000481881030 994745834 /nfs/dbraw/zinc/74/58/34/994745834.db2.gz NWNMKJVDMOUBMD-UHFFFAOYSA-N -1 3 406.324 3.596 20 5 HHBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000481881030 994745847 /nfs/dbraw/zinc/74/58/47/994745847.db2.gz NWNMKJVDMOUBMD-UHFFFAOYSA-N -1 3 406.324 3.596 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc2ccccc21 ZINC000477158104 997819811 /nfs/dbraw/zinc/81/98/11/997819811.db2.gz DVKWMOJPYYPRNH-ZDUSSCGKSA-N -1 3 414.439 3.559 20 5 HHBDHM CCC[C@@](C)(O)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000488177097 999402846 /nfs/dbraw/zinc/40/28/46/999402846.db2.gz KXAGLMWMUWWHNQ-HXUWFJFHSA-N -1 3 421.519 3.975 20 5 HHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000488688894 999573480 /nfs/dbraw/zinc/57/34/80/999573480.db2.gz UYYXRAOXWUIMAV-UHFFFAOYSA-N -1 3 420.263 3.593 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)c(Cl)c1 ZINC000480038937 999696883 /nfs/dbraw/zinc/69/68/83/999696883.db2.gz BOPHLOZXNRCQMR-CQSZACIVSA-N -1 3 400.815 3.580 20 5 HHBDHM Cc1cccc(CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000480505331 999814219 /nfs/dbraw/zinc/81/42/19/999814219.db2.gz GDMGXRJPYPYYME-UHFFFAOYSA-N -1 3 412.471 3.754 20 5 HHBDHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000497953688 1001577981 /nfs/dbraw/zinc/57/79/81/1001577981.db2.gz SJLKKKOYKWYGPZ-UHFFFAOYSA-N -1 3 403.913 3.523 20 5 HHBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000498029365 1001613021 /nfs/dbraw/zinc/61/30/21/1001613021.db2.gz NUWOVFPDVLWCID-UHFFFAOYSA-N -1 3 423.516 3.910 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498247633 1001729547 /nfs/dbraw/zinc/72/95/47/1001729547.db2.gz MCKQZRKNLKQHQA-UHFFFAOYSA-N -1 3 411.271 3.512 20 5 HHBDHM COCC[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000507028844 1001771645 /nfs/dbraw/zinc/77/16/45/1001771645.db2.gz AQOQQTBQOSCDQK-OAHLLOKOSA-N -1 3 407.492 3.849 20 5 HHBDHM CN1CC[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507092235 1001802312 /nfs/dbraw/zinc/80/23/12/1001802312.db2.gz ZYLHFXMLXNLPAZ-KZULUSFZSA-N -1 3 407.829 3.516 20 5 HHBDHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508301143 1002806644 /nfs/dbraw/zinc/80/66/44/1002806644.db2.gz IIQCYKAOGLOZMH-UHFFFAOYSA-N -1 3 400.807 3.667 20 5 HHBDHM Cc1sc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc1-c1c(F)cc(F)cc1F ZINC000508469681 1002954740 /nfs/dbraw/zinc/95/47/40/1002954740.db2.gz GFGFGGPYFMDZMJ-UHFFFAOYSA-N -1 3 410.333 3.797 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508822126 1003246022 /nfs/dbraw/zinc/24/60/22/1003246022.db2.gz LQXCOUPOAPNWJD-UHFFFAOYSA-N -1 3 424.784 3.754 20 5 HHBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000510036460 1004281103 /nfs/dbraw/zinc/28/11/03/1004281103.db2.gz XKMPGLNJUXUQEM-UHFFFAOYSA-N -1 3 408.785 3.788 20 5 HHBDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000512784029 1004557967 /nfs/dbraw/zinc/55/79/67/1004557967.db2.gz UTBXQGOXEXUNJK-OAQYLSRUSA-N -1 3 412.467 3.980 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)c2ccccc2)c(Cl)c1 ZINC000513013768 1004759317 /nfs/dbraw/zinc/75/93/17/1004759317.db2.gz BDGURUXXABNHCY-GUYCJALGSA-N -1 3 410.879 3.694 20 5 HHBDHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000513845856 1005156415 /nfs/dbraw/zinc/15/64/15/1005156415.db2.gz BWXKMDBPIQSSQA-SNVBAGLBSA-N -1 3 411.892 3.767 20 5 HHBDHM COc1cc(C)ccc1Oc1ccc(F)cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000504092610 1005551020 /nfs/dbraw/zinc/55/10/20/1005551020.db2.gz XPMMLIPMZHCGID-UHFFFAOYSA-N -1 3 400.366 3.829 20 5 HHBDHM COc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000531781134 1006421921 /nfs/dbraw/zinc/42/19/21/1006421921.db2.gz CGISAGLSBCBRDD-UHFFFAOYSA-N -1 3 419.228 3.614 20 5 HHBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000535362494 1007419851 /nfs/dbraw/zinc/41/98/51/1007419851.db2.gz ZTSZMXRMYOYXKC-UHFFFAOYSA-N -1 3 408.785 3.788 20 5 HHBDHM COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1OC ZINC000517402448 1007627620 /nfs/dbraw/zinc/62/76/20/1007627620.db2.gz YYRAWCLQQNIMBE-UHFFFAOYSA-N -1 3 404.803 3.514 20 5 HHBDHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000533465668 1007776557 /nfs/dbraw/zinc/77/65/57/1007776557.db2.gz TWKMTOMIBDDDIR-CABZTGNLSA-N -1 3 404.366 3.809 20 5 HHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000533618702 1007920078 /nfs/dbraw/zinc/92/00/78/1007920078.db2.gz CJOFWEBYMLDTHU-UHFFFAOYSA-N -1 3 417.849 3.753 20 5 HHBDHM O=C([N-]c1nnc(SCc2cccs2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518684238 1008391364 /nfs/dbraw/zinc/39/13/64/1008391364.db2.gz OIJRJPVPNRSCFJ-UHFFFAOYSA-N -1 3 418.485 3.929 20 5 HHBDHM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c([O-])c1 ZINC000550712661 1010120376 /nfs/dbraw/zinc/12/03/76/1010120376.db2.gz SPQITVVUYSSBQC-UHFFFAOYSA-N -1 3 423.219 3.800 20 5 HHBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000551225816 1010449633 /nfs/dbraw/zinc/44/96/33/1010449633.db2.gz YWXLBKJCMWSWRR-CQSZACIVSA-N -1 3 419.286 3.958 20 5 HHBDHM Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2[O-])ccc1[N+](=O)[O-] ZINC000523289010 1011768740 /nfs/dbraw/zinc/76/87/40/1011768740.db2.gz VHWGPIGWECQHPB-INIZCTEOSA-N -1 3 403.822 3.506 20 5 HHBDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552397143 1012409725 /nfs/dbraw/zinc/40/97/25/1012409725.db2.gz RNHFULFPCXSEMR-UHFFFAOYSA-N -1 3 409.240 3.711 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1ccc([N+](=O)[O-])cc1Br ZINC000524147561 1012934957 /nfs/dbraw/zinc/93/49/57/1012934957.db2.gz VPZGNIPNPUTSPO-UHFFFAOYSA-N -1 3 406.171 3.534 20 5 HHBDHM COc1c(F)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1[N+](=O)[O-] ZINC000488236080 1072152047 /nfs/dbraw/zinc/15/20/47/1072152047.db2.gz VEGNMOIMZMXUFJ-UHFFFAOYSA-N -1 3 412.292 3.701 20 5 HHBDHM CC[C@@]1(Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])CCOC1 ZINC000588041329 1072745541 /nfs/dbraw/zinc/74/55/41/1072745541.db2.gz QYAAIHLDBHVNBU-HXUWFJFHSA-N -1 3 419.503 3.993 20 5 HHBDHM O=c1nc(CN2CCOc3ccc([N+](=O)[O-])cc3C2)[n-]c2scc(-c3ccco3)c21 ZINC000554973444 1073013469 /nfs/dbraw/zinc/01/34/69/1073013469.db2.gz VCSIEXCYPHFOEJ-UHFFFAOYSA-N -1 3 424.438 3.960 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCO[C@H](C)[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000301726464 971043887 /nfs/dbraw/zinc/04/38/87/971043887.db2.gz VHNNFWBQFXGLGN-JKSUJKDBSA-N -1 3 419.503 3.626 20 5 HHBDHM Cc1ocnc1CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301872072 971093608 /nfs/dbraw/zinc/09/36/08/971093608.db2.gz QAQGPSYLJZSVGU-UHFFFAOYSA-N -1 3 416.459 3.921 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC(C)(C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000029619143 965431818 /nfs/dbraw/zinc/43/18/18/965431818.db2.gz JHXBNMHTWRMRCZ-UHFFFAOYSA-N -1 3 419.503 3.628 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1csc(-c2ccccc2)n1 ZINC000029971740 965579391 /nfs/dbraw/zinc/57/93/91/965579391.db2.gz HTDCJAIRVIAGFA-UHFFFAOYSA-N -1 3 409.876 3.850 20 5 HHBDHM COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000538012600 1013585709 /nfs/dbraw/zinc/58/57/09/1013585709.db2.gz DNHRNBZGDACHJJ-OAHLLOKOSA-N -1 3 420.821 3.501 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Br)cs2)c(Cl)c1 ZINC000056094502 966211524 /nfs/dbraw/zinc/21/15/24/966211524.db2.gz FTCOLKOYZOYNNF-UHFFFAOYSA-N -1 3 411.686 3.551 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000056127972 966225457 /nfs/dbraw/zinc/22/54/57/966225457.db2.gz ONYDYZQGHFYEDA-CYBMUJFWSA-N -1 3 404.366 3.575 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)c(Cl)c1 ZINC000047543178 968229808 /nfs/dbraw/zinc/22/98/08/968229808.db2.gz ZETODWIHAZQCPS-GOSISDBHSA-N -1 3 403.847 3.711 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(OC(F)F)cc3)cs2)n1 ZINC000138502798 969999192 /nfs/dbraw/zinc/99/91/92/969999192.db2.gz IHVMSNVSVTXRLX-UHFFFAOYSA-N -1 3 409.374 3.788 20 5 HHBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000554734421 1014034599 /nfs/dbraw/zinc/03/45/99/1014034599.db2.gz NYYABXKIFFZNLC-UHFFFAOYSA-N -1 3 409.620 3.951 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000321367077 972690335 /nfs/dbraw/zinc/69/03/35/972690335.db2.gz CDGORXLIBMESDF-UHFFFAOYSA-N -1 3 421.656 3.820 20 5 HHBDHM O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2ccccc2)n1 ZINC000426729315 974620283 /nfs/dbraw/zinc/62/02/83/974620283.db2.gz BUDGUMOZLHUPGH-LJQANCHMSA-N -1 3 422.466 3.985 20 5 HHBDHM CC(C)(C)c1nc(CN[C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cs1 ZINC000426747786 974632505 /nfs/dbraw/zinc/63/25/05/974632505.db2.gz RVCVXCGWKJSGCH-INIZCTEOSA-N -1 3 402.476 3.616 20 5 HHBDHM COc1cccc(C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])c1 ZINC000426787667 974659206 /nfs/dbraw/zinc/65/92/06/974659206.db2.gz GUMISGRBIQBSSY-GOSISDBHSA-N -1 3 413.455 3.512 20 5 HHBDHM COc1cc(CNc2nnc([C@H]3CCCc4ccccc43)s2)c([N+](=O)[O-])cc1[O-] ZINC000432428010 978807822 /nfs/dbraw/zinc/80/78/22/978807822.db2.gz HIIDGHSIXABIFD-HNNXBMFYSA-N -1 3 412.471 4.241 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)CCCCCO)c([N+](=O)[O-])c2)c(C)c1 ZINC000432942178 979018015 /nfs/dbraw/zinc/01/80/15/979018015.db2.gz CYEPGIBXEXKJPM-UHFFFAOYSA-N -1 3 421.519 3.611 20 5 HHBDHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436907303 981613362 /nfs/dbraw/zinc/61/33/62/981613362.db2.gz XVELYNXMANBJFB-QGZVFWFLSA-N -1 3 421.457 3.505 20 5 HHBDHM CC(=O)c1cc(F)c([N-]C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(F)c1F ZINC000461094963 982789001 /nfs/dbraw/zinc/78/90/01/982789001.db2.gz NUMQCABRIRQMBF-UHFFFAOYSA-N -1 3 404.304 3.653 20 5 HHBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440959617 983998319 /nfs/dbraw/zinc/99/83/19/983998319.db2.gz XVBZPHGDICAQJQ-UHFFFAOYSA-N -1 3 409.427 3.721 20 5 HHBDHM O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)N1CCCCC1 ZINC000442344145 984850291 /nfs/dbraw/zinc/85/02/91/984850291.db2.gz DBZFVPQYESBYFV-UHFFFAOYSA-N -1 3 423.878 3.675 20 5 HHBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000467989340 985636009 /nfs/dbraw/zinc/63/60/09/985636009.db2.gz DLMAKHHXAGJQGT-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444838807 986997487 /nfs/dbraw/zinc/99/74/87/986997487.db2.gz XOVIBTACBVRQNN-UHFFFAOYSA-N -1 3 421.232 3.834 20 5 HHBDHM Cn1nc(C(F)F)c2cc(C(=O)[N-]c3cc4c(cc3[N+](=O)[O-])OCCCO4)sc21 ZINC000470743435 988782509 /nfs/dbraw/zinc/78/25/09/988782509.db2.gz HSJSWOQCWJMYKO-UHFFFAOYSA-N -1 3 424.385 3.894 20 5 HHBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)c(Cl)c1 ZINC000466539723 991844479 /nfs/dbraw/zinc/84/44/79/991844479.db2.gz CAJJYBTUXLVCHP-UHFFFAOYSA-N -1 3 423.647 3.628 20 5 HHBDHM COc1cc(CNc2cccc(-c3ccc4c(c3)OCCO4)n2)c([N+](=O)[O-])cc1[O-] ZINC000466616143 991931945 /nfs/dbraw/zinc/93/19/45/991931945.db2.gz CBQCOMNAYRLFDC-UHFFFAOYSA-N -1 3 409.398 3.754 20 5 HHBDHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467416838 992719380 /nfs/dbraw/zinc/71/93/80/992719380.db2.gz HVPBQOUFMBVMIF-UHFFFAOYSA-N -1 3 409.514 3.875 20 5 HHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000481968661 994858164 /nfs/dbraw/zinc/85/81/64/994858164.db2.gz AZQCNRYZJIHIQZ-KRWDZBQOSA-N -1 3 416.459 3.740 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473910945 994875176 /nfs/dbraw/zinc/87/51/76/994875176.db2.gz BDBHSKVQCNCRJC-UHFFFAOYSA-N -1 3 409.222 3.528 20 5 HHBDHM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476180015 996660156 /nfs/dbraw/zinc/66/01/56/996660156.db2.gz YIPJBPPVKBKWPU-UHFFFAOYSA-N -1 3 407.304 3.885 20 5 HHBDHM CCOc1ccc(-c2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2C)cc1 ZINC000484530474 996862967 /nfs/dbraw/zinc/86/29/67/996862967.db2.gz TVMGLPSGXKYHHR-UHFFFAOYSA-N -1 3 400.416 3.778 20 5 HHBDHM O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485353718 997776665 /nfs/dbraw/zinc/77/66/65/997776665.db2.gz GGJJCFATAOMWRN-UHFFFAOYSA-N -1 3 418.837 3.664 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000485363047 997788281 /nfs/dbraw/zinc/78/82/81/997788281.db2.gz XWYVAXKKONPPCH-UHFFFAOYSA-N -1 3 409.427 3.730 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1[N+](=O)[O-] ZINC000486567323 998830755 /nfs/dbraw/zinc/83/07/55/998830755.db2.gz QKSBQVWZNZYWHN-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM Cc1ccc(-c2nc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n[n-]2)o1 ZINC000479466680 999430216 /nfs/dbraw/zinc/43/02/16/999430216.db2.gz RWCOGCMHCZAOKS-LBPRGKRZSA-N -1 3 410.434 3.770 20 5 HHBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1OC1CCCC1 ZINC000488726749 999589797 /nfs/dbraw/zinc/58/97/97/999589797.db2.gz PCLSYHBXLVAIDN-UHFFFAOYSA-N -1 3 424.450 3.542 20 5 HHBDHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000479987300 999675441 /nfs/dbraw/zinc/67/54/41/999675441.db2.gz CHEVOZYQDLCGNM-WFASDCNBSA-N -1 3 424.441 3.876 20 5 HHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)cc1C ZINC000489556993 999791585 /nfs/dbraw/zinc/79/15/85/999791585.db2.gz UGLNPEUJYJYYBS-UHFFFAOYSA-N -1 3 403.504 3.917 20 5 HHBDHM O=c1[n-]c(SCc2c(F)cc([N+](=O)[O-])cc2F)nc2c1cnn2-c1ccccc1 ZINC000505488765 1000814122 /nfs/dbraw/zinc/81/41/22/1000814122.db2.gz WTQUNXNAOMODMW-UHFFFAOYSA-N -1 3 415.381 4.000 20 5 HHBDHM O=C(Nc1cc(-c2ccsc2)nn1-c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000506287614 1001330195 /nfs/dbraw/zinc/33/01/95/1001330195.db2.gz ACHYSNNAMITNGY-UHFFFAOYSA-N -1 3 407.411 3.862 20 5 HHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498639990 1002041440 /nfs/dbraw/zinc/04/14/40/1002041440.db2.gz RGHLOECYIQWAQK-UHFFFAOYSA-N -1 3 402.204 3.541 20 5 HHBDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000509583051 1003960371 /nfs/dbraw/zinc/96/03/71/1003960371.db2.gz JOZXMJXPEFNDGY-UHFFFAOYSA-N -1 3 424.397 3.953 20 5 HHBDHM Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)co2)cc1 ZINC000509729132 1004056096 /nfs/dbraw/zinc/05/60/96/1004056096.db2.gz JJXOYKIFZZLWBV-UHFFFAOYSA-N -1 3 421.862 3.733 20 5 HHBDHM COc1cc(C(=O)[N-]c2cc(F)c(Br)cc2F)c([N+](=O)[O-])cc1OC ZINC000510112976 1004332552 /nfs/dbraw/zinc/33/25/52/1004332552.db2.gz NKAWYHWLFZEBMI-UHFFFAOYSA-N -1 3 417.162 3.905 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C)OC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000502087615 1004896383 /nfs/dbraw/zinc/89/63/83/1004896383.db2.gz ITCDCARJSIISAY-HZPDHXFCSA-N -1 3 419.503 3.626 20 5 HHBDHM Cc1cc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c(I)c1 ZINC000538905027 1007187466 /nfs/dbraw/zinc/18/74/66/1007187466.db2.gz FZENUFQIPCIVAK-UHFFFAOYSA-N -1 3 406.176 3.961 20 5 HHBDHM Cc1ccc(C)c(Oc2ccc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cn2)c1 ZINC000517791213 1007972433 /nfs/dbraw/zinc/97/24/33/1007972433.db2.gz YNCSODONSIWDDX-UHFFFAOYSA-N -1 3 419.484 3.939 20 5 HHBDHM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000539934303 1008192360 /nfs/dbraw/zinc/19/23/60/1008192360.db2.gz FNULKYPNMMWBGD-UHFFFAOYSA-N -1 3 403.866 3.596 20 5 HHBDHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccn2)cc1 ZINC000522374099 1010965520 /nfs/dbraw/zinc/96/55/20/1010965520.db2.gz HDWKBTOLBNUANE-MRXNPFEDSA-N -1 3 403.485 3.622 20 5 HHBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)[n-]n1 ZINC000541903087 1012762540 /nfs/dbraw/zinc/76/25/40/1012762540.db2.gz KYJFKJJBTHDEDJ-UHFFFAOYSA-N -1 3 412.427 3.898 20 5 HHBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[n-]1 ZINC000541903087 1012762560 /nfs/dbraw/zinc/76/25/60/1012762560.db2.gz KYJFKJJBTHDEDJ-UHFFFAOYSA-N -1 3 412.427 3.898 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H](C)[C@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000541921334 1012782240 /nfs/dbraw/zinc/78/22/40/1012782240.db2.gz DQHOJZGWFGCAJX-HOTGVXAUSA-N -1 3 419.503 3.849 20 5 HHBDHM CCOc1ccc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1[N+](=O)[O-] ZINC000049301904 964146091 /nfs/dbraw/zinc/14/60/91/964146091.db2.gz LJLRUSRGDPKVAZ-UHFFFAOYSA-N -1 3 408.414 3.559 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1C(F)(F)F ZINC000057020146 965252995 /nfs/dbraw/zinc/25/29/95/965252995.db2.gz ZZGXGYFRWNBFFN-JTQLQIEISA-N -1 3 404.366 3.662 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000054124597 965391413 /nfs/dbraw/zinc/39/14/13/965391413.db2.gz ZLUFTRGKUCGIDU-INIZCTEOSA-N -1 3 419.503 3.851 20 5 HHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)c2)n1 ZINC000058381144 965712463 /nfs/dbraw/zinc/71/24/63/965712463.db2.gz UKMQKBMGGNMDKJ-UHFFFAOYSA-N -1 3 403.398 3.641 20 5 HHBDHM O=c1[n-]c(SCCCOc2ccc([N+](=O)[O-])cc2)nc2c1cnn2-c1ccccc1 ZINC000071970957 968916501 /nfs/dbraw/zinc/91/65/01/968916501.db2.gz POJPWLPQVVLCGL-UHFFFAOYSA-N -1 3 423.454 3.578 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@](C)(O)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000078882799 969022708 /nfs/dbraw/zinc/02/27/08/969022708.db2.gz RAPAFSSACJDFOC-FQEVSTJZSA-N -1 3 421.519 3.831 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)sc1Br ZINC000316556004 972650816 /nfs/dbraw/zinc/65/08/16/972650816.db2.gz JAJIRFRLCPVNEA-SECBINFHSA-N -1 3 405.295 3.767 20 5 HHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000323237813 972709774 /nfs/dbraw/zinc/70/97/74/972709774.db2.gz ZJLJQQVYHFDROL-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)c(Cl)c1 ZINC000409863073 973331850 /nfs/dbraw/zinc/33/18/50/973331850.db2.gz WWFOKZURXUHBIX-ZDUSSCGKSA-N -1 3 402.856 3.903 20 5 HHBDHM O=C([O-])[C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Oc1ccc(F)cc1 ZINC000426649479 974582230 /nfs/dbraw/zinc/58/22/30/974582230.db2.gz XTJQFRUPFFKSIB-LJQANCHMSA-N -1 3 400.362 3.616 20 5 HHBDHM Cc1nc(CCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)sc1C(=O)[O-] ZINC000426685654 974598827 /nfs/dbraw/zinc/59/88/27/974598827.db2.gz JLYMHLLBCLSKCR-UHFFFAOYSA-N -1 3 418.500 3.904 20 5 HHBDHM O=C([O-])[C@H](Cc1ccc(F)cc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426733811 974622731 /nfs/dbraw/zinc/62/27/31/974622731.db2.gz OADSZEPUNUNSDR-KRWDZBQOSA-N -1 3 401.419 3.643 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(OC)c(Cl)c3)cs2)n1 ZINC000427127035 974924816 /nfs/dbraw/zinc/92/48/16/974924816.db2.gz SEXUNQVTXYPNPH-UHFFFAOYSA-N -1 3 407.839 3.849 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C(=O)c2ccccc2)CCC3)n1 ZINC000427379103 975085367 /nfs/dbraw/zinc/08/53/67/975085367.db2.gz ZQORDZXMFRIBMC-UHFFFAOYSA-N -1 3 410.455 3.845 20 5 HHBDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427597024 975206349 /nfs/dbraw/zinc/20/63/49/975206349.db2.gz PWQCFSALAFJAHL-UHFFFAOYSA-N -1 3 412.368 3.645 20 5 HHBDHM Cc1c([N-]C(=O)c2cc(-c3ccccn3)no2)cc(Br)cc1[N+](=O)[O-] ZINC000431176196 978075461 /nfs/dbraw/zinc/07/54/61/978075461.db2.gz BZIMXMVKDHGOHR-UHFFFAOYSA-N -1 3 403.192 3.968 20 5 HHBDHM Nc1c(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)cc(F)cc1[N+](=O)[O-] ZINC000432588018 978902032 /nfs/dbraw/zinc/90/20/32/978902032.db2.gz NRHSBAMUNKWHRR-ZDUSSCGKSA-N -1 3 413.434 3.888 20 5 HHBDHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000435439136 980863312 /nfs/dbraw/zinc/86/33/12/980863312.db2.gz RMKZSNDBPNXMRA-UHFFFAOYSA-N -1 3 409.222 3.528 20 5 HHBDHM CS(=O)(=O)c1cc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc([N+](=O)[O-])c1 ZINC000436613202 981474655 /nfs/dbraw/zinc/47/46/55/981474655.db2.gz PJEVJYRVYQOMHY-UHFFFAOYSA-N -1 3 411.395 3.574 20 5 HHBDHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000436698691 981519178 /nfs/dbraw/zinc/51/91/78/981519178.db2.gz YXXOUFHYWITOSK-UHFFFAOYSA-N -1 3 407.426 3.518 20 5 HHBDHM Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000436975016 981660235 /nfs/dbraw/zinc/66/02/35/981660235.db2.gz FRNSGRSMFDOWFE-GOSISDBHSA-N -1 3 421.457 3.505 20 5 HHBDHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000436995749 981675147 /nfs/dbraw/zinc/67/51/47/981675147.db2.gz DRALXYFKTJRSHU-HXUWFJFHSA-N -1 3 423.400 3.939 20 5 HHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cnc(C)c2C)cc1 ZINC000461206637 982920875 /nfs/dbraw/zinc/92/08/75/982920875.db2.gz FZKJFFVWXYVYGG-UHFFFAOYSA-N -1 3 400.460 3.761 20 5 HHBDHM CCN(c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000461887813 984911080 /nfs/dbraw/zinc/91/10/80/984911080.db2.gz ZURVDJIYTRVDHT-INIZCTEOSA-N -1 3 419.503 3.628 20 5 HHBDHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)s1 ZINC000444466378 986649158 /nfs/dbraw/zinc/64/91/58/986649158.db2.gz MIIWBMCBQKKRCM-UHFFFAOYSA-N -1 3 404.477 3.898 20 5 HHBDHM Cc1ccc(-c2nc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)n[n-]2)o1 ZINC000444745466 986909902 /nfs/dbraw/zinc/90/99/02/986909902.db2.gz USNDODCSEMNLRS-UHFFFAOYSA-N -1 3 403.373 3.759 20 5 HHBDHM COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445187441 987266899 /nfs/dbraw/zinc/26/68/99/987266899.db2.gz NABCFOCKECXDRC-UHFFFAOYSA-N -1 3 413.361 3.674 20 5 HHBDHM Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(OCc4ccccc4)ccc3[O-])n2)n1C ZINC000445612453 987682568 /nfs/dbraw/zinc/68/25/68/987682568.db2.gz LDIRGEPPEQLCKV-UHFFFAOYSA-N -1 3 407.386 3.638 20 5 HHBDHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000464354101 988506967 /nfs/dbraw/zinc/50/69/67/988506967.db2.gz OEGOAJJEMKTMNW-LLVKDONJSA-N -1 3 400.888 3.548 20 5 HHBDHM CCc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000464705280 988918228 /nfs/dbraw/zinc/91/82/28/988918228.db2.gz ABEQQYPPVGETDW-UHFFFAOYSA-N -1 3 423.516 3.646 20 5 HHBDHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)co2)cc1 ZINC000466911784 992226549 /nfs/dbraw/zinc/22/65/49/992226549.db2.gz YLGTVVCRXVUZMB-UHFFFAOYSA-N -1 3 421.862 3.999 20 5 HHBDHM C/C=C\C[C@@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000472647250 993583437 /nfs/dbraw/zinc/58/34/37/993583437.db2.gz CENMIZWRWLLTAY-AWFCHZOYSA-N -1 3 419.503 3.751 20 5 HHBDHM C/C=C\C[C@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000472647255 993583815 /nfs/dbraw/zinc/58/38/15/993583815.db2.gz CENMIZWRWLLTAY-YIEVGGLXSA-N -1 3 419.503 3.751 20 5 HHBDHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3cc([N+](=O)[O-])ccc3C)[n-]c(=O)c21 ZINC000484714021 997054014 /nfs/dbraw/zinc/05/40/14/997054014.db2.gz KUYJOLQFWVCVFG-LLVKDONJSA-N -1 3 414.443 3.895 20 5 HHBDHM CCOc1cc([N-]C(=O)c2csc(-c3cnccn3)n2)c([N+](=O)[O-])cc1OCC ZINC000476735827 997287689 /nfs/dbraw/zinc/28/76/89/997287689.db2.gz VJSAGSWKXZQWAC-UHFFFAOYSA-N -1 3 415.431 3.558 20 5 HHBDHM CC(C)(NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000486630061 998866125 /nfs/dbraw/zinc/86/61/25/998866125.db2.gz UCQPJSFJVRSSHA-UHFFFAOYSA-N -1 3 408.252 3.797 20 5 HHBDHM O=[N+]([O-])c1cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc(C(F)(F)F)c1 ZINC000487396518 999159920 /nfs/dbraw/zinc/15/99/20/999159920.db2.gz HCRWPQFTDRJNPA-UHFFFAOYSA-N -1 3 414.283 3.509 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2nccnc2Sc2ccccc2)c(C)c([N+](=O)[O-])c1 ZINC000489752931 999831249 /nfs/dbraw/zinc/83/12/49/999831249.db2.gz GCXBFBCJSMWKRO-UHFFFAOYSA-N -1 3 424.438 3.883 20 5 HHBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])cc1OC ZINC000506229770 1001294155 /nfs/dbraw/zinc/29/41/55/1001294155.db2.gz HBYQTPJRZUEOTF-UHFFFAOYSA-N -1 3 418.446 3.884 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000507501514 1002114554 /nfs/dbraw/zinc/11/45/54/1002114554.db2.gz FIPOXHBBOLHNQB-NSHDSACASA-N -1 3 410.402 3.688 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000507884502 1002416085 /nfs/dbraw/zinc/41/60/85/1002416085.db2.gz IJJCXPGZGMQVCV-UHFFFAOYSA-N -1 3 406.357 3.664 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1[N+](=O)[O-] ZINC000508066709 1002587933 /nfs/dbraw/zinc/58/79/33/1002587933.db2.gz DWLCOJBNBIIQEH-INIZCTEOSA-N -1 3 413.377 3.966 20 5 HHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(NC(=O)CC(F)(F)F)cc2)s1 ZINC000509479498 1003892658 /nfs/dbraw/zinc/89/26/58/1003892658.db2.gz YVTJBXYUWFJJCC-UHFFFAOYSA-N -1 3 423.394 3.694 20 5 HHBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509761910 1004078939 /nfs/dbraw/zinc/07/89/39/1004078939.db2.gz MONMEDURIOVSTQ-UHFFFAOYSA-N -1 3 408.785 3.788 20 5 HHBDHM O=C(Nc1nc2c(cccc2Cl)n1CC(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000511537121 1005214906 /nfs/dbraw/zinc/21/49/06/1005214906.db2.gz VEGHWCHGNZFXIT-UHFFFAOYSA-N -1 3 415.715 3.513 20 5 HHBDHM O=C(Nc1cc(Br)ccc1[O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000531492672 1006229676 /nfs/dbraw/zinc/22/96/76/1006229676.db2.gz JDNNGIDGAKTIDP-UHFFFAOYSA-N -1 3 403.192 3.501 20 5 HHBDHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000538345326 1006613056 /nfs/dbraw/zinc/61/30/56/1006613056.db2.gz HQYFGTHNVHTVTC-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000515756991 1006646465 /nfs/dbraw/zinc/64/64/65/1006646465.db2.gz KRLXOVYEHQFHJR-ZDUSSCGKSA-N -1 3 404.366 3.575 20 5 HHBDHM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]c2nc3ccccn3n2)cc1 ZINC000539518970 1007829144 /nfs/dbraw/zinc/82/91/44/1007829144.db2.gz XKBUFIOMWGOJJZ-UHFFFAOYSA-N -1 3 405.370 3.691 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000540320704 1008378532 /nfs/dbraw/zinc/37/85/32/1008378532.db2.gz JAZOJDPWSCBMJX-GOEBONIOSA-N -1 3 417.270 3.710 20 5 HHBDHM O=C([N-]c1c(F)cc(F)cc1F)c1cc(I)cc([N+](=O)[O-])c1 ZINC000536577680 1011741114 /nfs/dbraw/zinc/74/11/14/1011741114.db2.gz IXPZHVYBVURIHA-UHFFFAOYSA-N -1 3 422.100 3.869 20 5 HHBDHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000479133604 1072745103 /nfs/dbraw/zinc/74/51/03/1072745103.db2.gz QVHVXYZXDCFGRY-UHFFFAOYSA-N -1 3 400.338 3.599 20 5 HHBDHM CC[C@]1(Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])CCOC1 ZINC000588041328 1072745465 /nfs/dbraw/zinc/74/54/65/1072745465.db2.gz QYAAIHLDBHVNBU-FQEVSTJZSA-N -1 3 419.503 3.993 20 5 HHBDHM CCOC(=O)c1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)c([O-])c1 ZINC000574004560 1074752294 /nfs/dbraw/zinc/75/22/94/1074752294.db2.gz CZOXBBOUDQTDTD-UHFFFAOYSA-N -1 3 402.406 3.816 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301420086 970919478 /nfs/dbraw/zinc/91/94/78/970919478.db2.gz DUGNZCZSOXOPEA-UHFFFAOYSA-N -1 3 419.503 3.628 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000542121561 1013056272 /nfs/dbraw/zinc/05/62/72/1013056272.db2.gz NFMMULGUGGKGKN-LSDHHAIUSA-N -1 3 407.492 3.584 20 5 HHBDHM Cc1cnccc1CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301849246 971084760 /nfs/dbraw/zinc/08/47/60/971084760.db2.gz ONCAWLZSQNASTB-UHFFFAOYSA-N -1 3 412.471 3.754 20 5 HHBDHM Cc1cccc([C@@H]([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000301921854 971117136 /nfs/dbraw/zinc/11/71/36/971117136.db2.gz DUDVRFLFNSVNSX-QGZVFWFLSA-N -1 3 403.485 3.965 20 5 HHBDHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000303818340 972050665 /nfs/dbraw/zinc/05/06/65/972050665.db2.gz WXYDSVUPJNEGCC-QFYYESIMSA-N -1 3 419.286 3.956 20 5 HHBDHM COc1cc(C)c([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000056058646 966197037 /nfs/dbraw/zinc/19/70/37/966197037.db2.gz WCQHVWFHFFWRJC-NSHDSACASA-N -1 3 414.867 3.613 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 ZINC000046230945 967702872 /nfs/dbraw/zinc/70/28/72/967702872.db2.gz ZPXHBIHJXORILU-HNNXBMFYSA-N -1 3 405.476 3.603 20 5 HHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000323209670 972710098 /nfs/dbraw/zinc/71/00/98/972710098.db2.gz RIZKKJQXOKSRLY-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)c(Cl)c1 ZINC000409863072 973332078 /nfs/dbraw/zinc/33/20/78/973332078.db2.gz WWFOKZURXUHBIX-CYBMUJFWSA-N -1 3 402.856 3.903 20 5 HHBDHM O=C([O-])[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Oc1ccc(F)cc1 ZINC000426643694 974579580 /nfs/dbraw/zinc/57/95/80/974579580.db2.gz RMHXYVKZBWMCBZ-LJQANCHMSA-N -1 3 400.362 3.616 20 5 HHBDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000427804887 975299180 /nfs/dbraw/zinc/29/91/80/975299180.db2.gz OBUATHBJBJJNCY-IBGZPJMESA-N -1 3 402.428 3.573 20 5 HHBDHM Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000431912012 978595777 /nfs/dbraw/zinc/59/57/77/978595777.db2.gz LFAAYDQQCUEILL-UHFFFAOYSA-N -1 3 419.322 3.941 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c(Cl)c1 ZINC000435588902 980951244 /nfs/dbraw/zinc/95/12/44/980951244.db2.gz OXYZXBQSHGIGTI-MJHDQNEOSA-N -1 3 402.806 3.751 20 5 HHBDHM CS(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc1[N+](=O)[O-] ZINC000436605337 981470314 /nfs/dbraw/zinc/47/03/14/981470314.db2.gz CAFMWZAGUUBDQR-UHFFFAOYSA-N -1 3 411.395 3.574 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000437309002 981961111 /nfs/dbraw/zinc/96/11/11/981961111.db2.gz UZDSPKLGNKJTJH-NXEZZACHSA-N -1 3 400.806 3.895 20 5 HHBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(Cl)cc1 ZINC000462577754 985524699 /nfs/dbraw/zinc/52/46/99/985524699.db2.gz KWHVKDWIMFRUIZ-JTQLQIEISA-N -1 3 405.259 3.647 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)c(Cl)c1 ZINC000462612098 985555746 /nfs/dbraw/zinc/55/57/46/985555746.db2.gz BQPJHHFXGYSDDG-LLVKDONJSA-N -1 3 423.661 3.967 20 5 HHBDHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000443560222 985732105 /nfs/dbraw/zinc/73/21/05/985732105.db2.gz QBZGNUIKDMRUKF-UHFFFAOYSA-N -1 3 409.276 3.705 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC[C@@H](O)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000462875684 985800790 /nfs/dbraw/zinc/80/07/90/985800790.db2.gz SXUKFBWCTWWGNQ-HXUWFJFHSA-N -1 3 421.519 3.831 20 5 HHBDHM CC[C@H](O)CCCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000462883580 985808471 /nfs/dbraw/zinc/80/84/71/985808471.db2.gz KLWPDRAZIDZDEL-INIZCTEOSA-N -1 3 421.519 3.975 20 5 HHBDHM COC(=O)c1cc(C(=O)[N-]c2c(F)cc(Br)cc2F)cc([N+](=O)[O-])c1 ZINC000443882556 986083586 /nfs/dbraw/zinc/08/35/86/986083586.db2.gz UNWWRLAFDSYDDY-UHFFFAOYSA-N -1 3 415.146 3.674 20 5 HHBDHM COC(C)(C)c1nc(C)c(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000463285168 986252739 /nfs/dbraw/zinc/25/27/39/986252739.db2.gz RFRDZHPBBWIZRH-UHFFFAOYSA-N -1 3 407.448 3.655 20 5 HHBDHM CCOC(=O)c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c([O-])c1 ZINC000444256533 986454175 /nfs/dbraw/zinc/45/41/75/986454175.db2.gz MMPKMGQKWNEXBH-UHFFFAOYSA-N -1 3 402.406 3.816 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c2ncccc12 ZINC000463693941 986677105 /nfs/dbraw/zinc/67/71/05/986677105.db2.gz WEGFSHAIOYIWMX-UHFFFAOYSA-N -1 3 411.361 3.640 20 5 HHBDHM COc1cccc(COc2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2C)c1 ZINC000445132762 987232258 /nfs/dbraw/zinc/23/22/58/987232258.db2.gz GKNKWSSXAAAUNM-UHFFFAOYSA-N -1 3 409.398 3.844 20 5 HHBDHM O=C(Nc1cccc(COCCOc2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445177697 987261527 /nfs/dbraw/zinc/26/15/27/987261527.db2.gz CMCVXHWKDXSBBL-UHFFFAOYSA-N -1 3 409.398 3.543 20 5 HHBDHM Cc1nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)sc1Cc1ccccc1Cl ZINC000445198387 987272659 /nfs/dbraw/zinc/27/26/59/987272659.db2.gz VEKQRWUAQXRDJV-UHFFFAOYSA-N -1 3 404.835 3.957 20 5 HHBDHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000445726640 987791057 /nfs/dbraw/zinc/79/10/57/987791057.db2.gz UGGOYNUWMSHRDL-LLVKDONJSA-N -1 3 419.219 3.613 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c2ncccc12 ZINC000464218669 988334676 /nfs/dbraw/zinc/33/46/76/988334676.db2.gz ZEMSFDDPLKOGAA-AAEUAGOBSA-N -1 3 417.409 3.790 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)c(F)c1 ZINC000471877351 990049837 /nfs/dbraw/zinc/04/98/37/990049837.db2.gz MVVSRQGVEMTJLN-SFHVURJKSA-N -1 3 421.837 3.850 20 5 HHBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000467047554 992356770 /nfs/dbraw/zinc/35/67/70/992356770.db2.gz RQJZWURSCDHHSX-UHFFFAOYSA-N -1 3 415.440 3.654 20 5 HHBDHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467794981 993030355 /nfs/dbraw/zinc/03/03/55/993030355.db2.gz AYMPQFJNODQFSF-WMZOPIPTSA-N -1 3 410.879 3.755 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000481253312 994077647 /nfs/dbraw/zinc/07/76/47/994077647.db2.gz GOEYHGXMVLNFAZ-QWHCGFSZSA-N -1 3 418.805 3.684 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)c(Cl)c1 ZINC000481257772 994079725 /nfs/dbraw/zinc/07/97/25/994079725.db2.gz WYDVLIUQSGPPHR-GXTWGEPZSA-N -1 3 418.805 3.684 20 5 HHBDHM CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)s1 ZINC000481990003 994889119 /nfs/dbraw/zinc/88/91/19/994889119.db2.gz HSFNUOIZYDQKQB-UHFFFAOYSA-N -1 3 400.507 3.549 20 5 HHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1C ZINC000484135098 996590281 /nfs/dbraw/zinc/59/02/81/996590281.db2.gz FFKAXRMMVHNTFR-UHFFFAOYSA-N -1 3 423.454 3.951 20 5 HHBDHM O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484537328 996870083 /nfs/dbraw/zinc/87/00/83/996870083.db2.gz YCQNMZUFYRSEKZ-UHFFFAOYSA-N -1 3 406.114 3.729 20 5 HHBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000488669624 999565989 /nfs/dbraw/zinc/56/59/89/999565989.db2.gz CLAJDBAJOIGVOA-SNVBAGLBSA-N -1 3 411.277 3.860 20 5 HHBDHM O=C(Nc1cc(Br)ccc1[O-])c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489174959 999716709 /nfs/dbraw/zinc/71/67/09/999716709.db2.gz KRJVGJRDIJCOKL-UHFFFAOYSA-N -1 3 403.135 3.917 20 5 HHBDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480631166 999845704 /nfs/dbraw/zinc/84/57/04/999845704.db2.gz NLMTXNLZTPEBGX-OAQYLSRUSA-N -1 3 411.483 3.983 20 5 HHBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)cc1[N+](=O)[O-] ZINC000491300377 1000062976 /nfs/dbraw/zinc/06/29/76/1000062976.db2.gz XTQGMCKZOTULRP-ZDUSSCGKSA-N -1 3 422.356 3.715 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)c(Br)c1 ZINC000491955660 1000102107 /nfs/dbraw/zinc/10/21/07/1000102107.db2.gz LHSHGAKRAOQNGI-UHFFFAOYSA-N -1 3 423.647 3.628 20 5 HHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)cc1C ZINC000497773346 1001510696 /nfs/dbraw/zinc/51/06/96/1001510696.db2.gz DZJVBSUUWGQHBC-UHFFFAOYSA-N -1 3 406.357 3.848 20 5 HHBDHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000497952847 1001577547 /nfs/dbraw/zinc/57/75/47/1001577547.db2.gz UEZKQSPBZPHMGK-OAQYLSRUSA-N -1 3 411.483 3.983 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1[N+](=O)[O-] ZINC000508066711 1002587553 /nfs/dbraw/zinc/58/75/53/1002587553.db2.gz DWLCOJBNBIIQEH-MRXNPFEDSA-N -1 3 413.377 3.966 20 5 HHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)c1C ZINC000508124751 1002653958 /nfs/dbraw/zinc/65/39/58/1002653958.db2.gz JUYSDRACPSIULZ-UHFFFAOYSA-N -1 3 420.672 3.823 20 5 HHBDHM Cc1c(Br)cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000509882895 1004176584 /nfs/dbraw/zinc/17/65/84/1004176584.db2.gz RQTMMWFBYFISIF-UHFFFAOYSA-N -1 3 411.159 3.788 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)cc1F ZINC000510658752 1004784045 /nfs/dbraw/zinc/78/40/45/1004784045.db2.gz PAIFASXFEUIBRF-SSDOTTSWSA-N -1 3 409.258 3.597 20 5 HHBDHM Cc1ccc(C)c(Oc2ccc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cn2)c1 ZINC000515758483 1006649271 /nfs/dbraw/zinc/64/92/71/1006649271.db2.gz XFGLRXNJAJNYQZ-UHFFFAOYSA-N -1 3 413.455 3.877 20 5 HHBDHM COC(C)(C)CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000532327539 1006795220 /nfs/dbraw/zinc/79/52/20/1006795220.db2.gz LHVPPNQTINYULJ-UHFFFAOYSA-N -1 3 421.519 3.874 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000535249314 1007301233 /nfs/dbraw/zinc/30/12/33/1007301233.db2.gz XDABGAZMEPNAFK-QMMMGPOBSA-N -1 3 421.219 3.675 20 5 HHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000539671036 1007990050 /nfs/dbraw/zinc/99/00/50/1007990050.db2.gz ALGMLGHBXBYQOE-UHFFFAOYSA-N -1 3 412.475 3.597 20 5 HHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000539671036 1007990059 /nfs/dbraw/zinc/99/00/59/1007990059.db2.gz ALGMLGHBXBYQOE-UHFFFAOYSA-N -1 3 412.475 3.597 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)c(Cl)c1 ZINC000518732335 1008407111 /nfs/dbraw/zinc/40/71/11/1008407111.db2.gz GEFIWOCAXTWUSC-UHFFFAOYSA-N -1 3 418.283 3.990 20 5 HHBDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000520269612 1009387725 /nfs/dbraw/zinc/38/77/25/1009387725.db2.gz FZXPPVKCMBYZDA-UHFFFAOYSA-N -1 3 405.259 3.567 20 5 HHBDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000536147205 1011271947 /nfs/dbraw/zinc/27/19/47/1011271947.db2.gz CRBHROBOZDZNHD-UHFFFAOYSA-N -1 3 424.413 3.514 20 5 HHBDHM C[C@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000523864331 1012560628 /nfs/dbraw/zinc/56/06/28/1012560628.db2.gz NAAPEGYKKURYPD-CQSZACIVSA-N -1 3 423.922 3.752 20 5 HHBDHM CSCC1CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001211965427 1071782343 /nfs/dbraw/zinc/78/23/43/1071782343.db2.gz DABIVDVCTOWWLX-UHFFFAOYSA-N -1 3 412.455 3.814 20 5 HHBDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000760343387 1072266247 /nfs/dbraw/zinc/26/62/47/1072266247.db2.gz TXBMLQLNYDIVFK-UHFFFAOYSA-N -1 3 421.656 3.820 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2ncoc2-c2ccc(OC)cc2)c(C)c([N+](=O)[O-])c1 ZINC000571681861 1072694844 /nfs/dbraw/zinc/69/48/44/1072694844.db2.gz JLCTUCAXUWSRHU-UHFFFAOYSA-N -1 3 411.370 3.606 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)F)cc2)c(F)cc1[N+](=O)[O-] ZINC000590589699 1073931079 /nfs/dbraw/zinc/93/10/79/1073931079.db2.gz YPWWNDJVLOGXCV-SNVBAGLBSA-N -1 3 404.366 3.683 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C[C@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301146246 970771106 /nfs/dbraw/zinc/77/11/06/970771106.db2.gz AYFJIBGJBKZSTB-MRXNPFEDSA-N -1 3 419.503 3.628 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCOCC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000301986560 971142822 /nfs/dbraw/zinc/14/28/22/971142822.db2.gz KDRJVOKVHMTQHQ-MRXNPFEDSA-N -1 3 419.503 3.628 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCSCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000052360943 964886467 /nfs/dbraw/zinc/88/64/67/964886467.db2.gz WSICYWBHFWDMJP-UHFFFAOYSA-N -1 3 407.517 3.566 20 5 HHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000058099314 965623372 /nfs/dbraw/zinc/62/33/72/965623372.db2.gz GALZHFFOXQNYIN-UHFFFAOYSA-N -1 3 404.375 3.553 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000146297804 970285989 /nfs/dbraw/zinc/28/59/89/970285989.db2.gz VUNFEKXFUUYPKW-KBXCAEBGSA-N -1 3 410.879 3.694 20 5 HHBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429801906 977077718 /nfs/dbraw/zinc/07/77/18/977077718.db2.gz BLJFUUUVRFXVTI-UHFFFAOYSA-N -1 3 424.276 3.577 20 5 HHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432277133 978740086 /nfs/dbraw/zinc/74/00/86/978740086.db2.gz MVLRHHIQHHXSSY-CQSZACIVSA-N -1 3 402.394 3.918 20 5 HHBDHM COC(=O)c1cccc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1[O-] ZINC000436795090 981565663 /nfs/dbraw/zinc/56/56/63/981565663.db2.gz XQPRLOJLUFJTAH-UHFFFAOYSA-N -1 3 422.393 3.918 20 5 HHBDHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436808537 981570836 /nfs/dbraw/zinc/57/08/36/981570836.db2.gz LRHCUVCMEZWRGM-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436955830 981645126 /nfs/dbraw/zinc/64/51/26/981645126.db2.gz IXWQIKPHTAEANP-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000437002528 981679314 /nfs/dbraw/zinc/67/93/14/981679314.db2.gz YNZSANBTPOQVJF-SFHVURJKSA-N -1 3 421.457 3.505 20 5 HHBDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2)c1C ZINC000461220095 982931114 /nfs/dbraw/zinc/93/11/14/982931114.db2.gz RVIUZAXBJJATAA-UHFFFAOYSA-N -1 3 400.460 3.815 20 5 HHBDHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000438809557 983084658 /nfs/dbraw/zinc/08/46/58/983084658.db2.gz IKTZZVHIBHQYOQ-UHFFFAOYSA-N -1 3 403.229 3.914 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380469 985363191 /nfs/dbraw/zinc/36/31/91/985363191.db2.gz LPNFFULTHSDQBZ-AWEZNQCLSA-N -1 3 419.503 3.764 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC000443985218 986187648 /nfs/dbraw/zinc/18/76/48/986187648.db2.gz YXTREXRSIHUGTI-CQSZACIVSA-N -1 3 418.393 3.884 20 5 HHBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)nc21 ZINC000444245248 986437662 /nfs/dbraw/zinc/43/76/62/986437662.db2.gz CSBGWXNFJUDMEQ-UHFFFAOYSA-N -1 3 412.405 3.597 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Br)s1 ZINC000444288668 986476411 /nfs/dbraw/zinc/47/64/11/986476411.db2.gz QSXNCBZOVAJKEL-ZETCQYMHSA-N -1 3 409.258 3.597 20 5 HHBDHM CCCn1c(C)cc(-c2csc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c1C ZINC000444824559 986979713 /nfs/dbraw/zinc/97/97/13/986979713.db2.gz JAOZJRRKBYBAOK-UHFFFAOYSA-N -1 3 401.448 3.900 20 5 HHBDHM O=C(Nc1nc(-c2ccccc2)c(Br)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444985860 987115317 /nfs/dbraw/zinc/11/53/17/987115317.db2.gz LZZXSBBLVDHAFE-UHFFFAOYSA-N -1 3 421.232 3.834 20 5 HHBDHM O=C(Nc1nc(-c2ccccc2OC(F)F)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445191210 987269722 /nfs/dbraw/zinc/26/97/22/987269722.db2.gz XHXVXOQYUXJEDT-UHFFFAOYSA-N -1 3 408.342 3.673 20 5 HHBDHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1 ZINC000469893591 987530368 /nfs/dbraw/zinc/53/03/68/987530368.db2.gz PPVJVTJAYFWZPQ-UHFFFAOYSA-N -1 3 402.363 3.542 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@](C)(O)C3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000484512746 996843690 /nfs/dbraw/zinc/84/36/90/996843690.db2.gz HGSKRZCXCQFLBM-HXUWFJFHSA-N -1 3 419.503 3.585 20 5 HHBDHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000485112074 997493989 /nfs/dbraw/zinc/49/39/89/997493989.db2.gz CZNVAYZJRVOFDJ-UHFFFAOYSA-N -1 3 415.369 3.564 20 5 HHBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000485112074 997494003 /nfs/dbraw/zinc/49/40/03/997494003.db2.gz CZNVAYZJRVOFDJ-UHFFFAOYSA-N -1 3 415.369 3.564 20 5 HHBDHM CCCCc1nc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c(C(=O)OCC)[n-]1 ZINC000485704360 998168313 /nfs/dbraw/zinc/16/83/13/998168313.db2.gz XAYKXKYFYNPEEK-UHFFFAOYSA-N -1 3 406.464 3.811 20 5 HHBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)c1[N+](=O)[O-] ZINC000478529955 999012096 /nfs/dbraw/zinc/01/20/96/999012096.db2.gz XUCAHDPSTKHPHM-UHFFFAOYSA-N -1 3 407.333 3.779 20 5 HHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489622139 999804514 /nfs/dbraw/zinc/80/45/14/999804514.db2.gz LKQWOALUOPMXEA-UHFFFAOYSA-N -1 3 417.162 3.594 20 5 HHBDHM CCOC[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000489944993 999867452 /nfs/dbraw/zinc/86/74/52/999867452.db2.gz HOKRWKFXPVFOQU-HNNXBMFYSA-N -1 3 407.492 3.849 20 5 HHBDHM O=C(NCc1ccc([O-])c(Br)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491399074 1000071803 /nfs/dbraw/zinc/07/18/03/1000071803.db2.gz ZNWFZLPOJYOTJP-UHFFFAOYSA-N -1 3 420.263 3.937 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000493277423 1000166757 /nfs/dbraw/zinc/16/67/57/1000166757.db2.gz QPDAEQVBUQJIJP-VIFPVBQESA-N -1 3 406.794 3.889 20 5 HHBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000494664761 1000594726 /nfs/dbraw/zinc/59/47/26/1000594726.db2.gz KYCFJUYEMNLIPT-UHFFFAOYSA-N -1 3 415.413 3.639 20 5 HHBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000494664761 1000594736 /nfs/dbraw/zinc/59/47/36/1000594736.db2.gz KYCFJUYEMNLIPT-UHFFFAOYSA-N -1 3 415.413 3.639 20 5 HHBDHM COCC[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000507028843 1001771582 /nfs/dbraw/zinc/77/15/82/1001771582.db2.gz AQOQQTBQOSCDQK-HNNXBMFYSA-N -1 3 407.492 3.849 20 5 HHBDHM COc1cc(C(=O)[N-]c2csc(-c3ccccn3)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000498602798 1002008268 /nfs/dbraw/zinc/00/82/68/1002008268.db2.gz COMRKOVQOVQYEB-UHFFFAOYSA-N -1 3 422.369 3.976 20 5 HHBDHM Cc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1-c1cc(C)ccc1C ZINC000499295930 1002706298 /nfs/dbraw/zinc/70/62/98/1002706298.db2.gz LLUILQYIEBWVPQ-UHFFFAOYSA-N -1 3 414.487 3.690 20 5 HHBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000508856916 1003276928 /nfs/dbraw/zinc/27/69/28/1003276928.db2.gz RGCNFNQFFZBIMS-UHFFFAOYSA-N -1 3 408.785 3.788 20 5 HHBDHM COc1cccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1OC1CCCC1 ZINC000500157665 1003512043 /nfs/dbraw/zinc/51/20/43/1003512043.db2.gz OKCPOYIQKKDMQI-UHFFFAOYSA-N -1 3 420.487 3.712 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000511921616 1003894766 /nfs/dbraw/zinc/89/47/66/1003894766.db2.gz IHUUBNOFMIOAEI-JTQLQIEISA-N -1 3 404.366 3.662 20 5 HHBDHM Cc1nc(-c2ccc(NC(=O)N(C)CCc3cccc([N+](=O)[O-])c3)cc2)cc(=O)[n-]1 ZINC000510250693 1004425226 /nfs/dbraw/zinc/42/52/26/1004425226.db2.gz CHBBMMAYKQLEAM-UHFFFAOYSA-N -1 3 407.430 3.772 20 5 HHBDHM COc1cc(CNCc2c(OC)cccc2OC(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000513001173 1004752864 /nfs/dbraw/zinc/75/28/64/1004752864.db2.gz BNMMMQQFVBRIMA-UHFFFAOYSA-N -1 3 402.325 3.506 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2n1C(F)F ZINC000511056602 1005000240 /nfs/dbraw/zinc/00/02/40/1005000240.db2.gz PDGGSKZZGWFKAW-SECBINFHSA-N -1 3 414.365 3.518 20 5 HHBDHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000502499003 1005093437 /nfs/dbraw/zinc/09/34/37/1005093437.db2.gz PNMQSDGEZYJVMQ-UHFFFAOYSA-N -1 3 414.443 3.794 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCC(F)(F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000538449766 1006717843 /nfs/dbraw/zinc/71/78/43/1006717843.db2.gz LPJBUMSXJJOSSG-UHFFFAOYSA-N -1 3 411.430 3.858 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CC2)c(C(F)(F)F)c1 ZINC000533465958 1007776509 /nfs/dbraw/zinc/77/65/09/1007776509.db2.gz HQVMJEPQJKGIND-UHFFFAOYSA-N -1 3 404.341 3.720 20 5 HHBDHM CC(C)(C)OC(=O)Cc1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000543048564 1008629646 /nfs/dbraw/zinc/62/96/46/1008629646.db2.gz SVMUHHNJGLYXPE-UHFFFAOYSA-N -1 3 412.489 3.688 20 5 HHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000543169982 1008745494 /nfs/dbraw/zinc/74/54/94/1008745494.db2.gz VOXCDLREZVUVQA-CQSZACIVSA-N -1 3 410.320 3.763 20 5 HHBDHM Cc1nc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000546764444 1009731782 /nfs/dbraw/zinc/73/17/82/1009731782.db2.gz QEYHYFILMPIRRR-UHFFFAOYSA-N -1 3 421.862 3.831 20 5 HHBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000550189961 1009764573 /nfs/dbraw/zinc/76/45/73/1009764573.db2.gz ZZIQXXKZIOSBNP-UHFFFAOYSA-N -1 3 411.159 3.788 20 5 HHBDHM CC(=O)c1cccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1[O-] ZINC000552069422 1012087193 /nfs/dbraw/zinc/08/71/93/1012087193.db2.gz RHENMSFZSJOEFZ-UHFFFAOYSA-N -1 3 408.414 3.617 20 5 HHBDHM COc1cc(C(=O)[N-]c2c(Cl)cncc2Cl)c([N+](=O)[O-])cc1OC(F)F ZINC001126920213 1074075767 /nfs/dbraw/zinc/07/57/67/1074075767.db2.gz VOYTYVKODCJGQA-UHFFFAOYSA-N -1 3 408.144 3.581 20 5 HHBDHM COc1ccccc1[C@@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000301924787 971118712 /nfs/dbraw/zinc/11/87/12/971118712.db2.gz GNRNBFVXVGCWAW-QGZVFWFLSA-N -1 3 419.484 3.665 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccccc2)c[nH]1 ZINC000524313293 1013128902 /nfs/dbraw/zinc/12/89/02/1013128902.db2.gz LVHWKJKCYVKKSB-OAHLLOKOSA-N -1 3 404.423 3.554 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@]3(C)CCO[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000542209169 1013154620 /nfs/dbraw/zinc/15/46/20/1013154620.db2.gz BKZDDMDMFLRQPP-FOIQADDNSA-N -1 3 419.503 3.992 20 5 HHBDHM Cc1nn(C)c(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1[N+](=O)[O-] ZINC000079353645 969034418 /nfs/dbraw/zinc/03/44/18/969034418.db2.gz VJIRXDARVDDVCX-UHFFFAOYSA-N -1 3 402.432 3.538 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCOc1cccc2cccnc21 ZINC000111050050 969767146 /nfs/dbraw/zinc/76/71/46/969767146.db2.gz YKPIDCTVPDKJLH-UHFFFAOYSA-N -1 3 421.862 3.544 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cc([N+](=O)[O-])ccc1I ZINC000111211064 969804233 /nfs/dbraw/zinc/80/42/33/969804233.db2.gz IRZXXLPCPQMBDK-UHFFFAOYSA-N -1 3 418.574 3.811 20 5 HHBDHM COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N-][C@@H](c1ccccc1)c1ccccn1 ZINC000111220832 969808257 /nfs/dbraw/zinc/80/82/57/969808257.db2.gz QLGUEFSRPUHKCD-SFHVURJKSA-N -1 3 408.370 3.886 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(Br)cc3)cs2)n1 ZINC000427120412 974920650 /nfs/dbraw/zinc/92/06/50/974920650.db2.gz BXURWTZOUJGXRO-UHFFFAOYSA-N -1 3 422.264 3.950 20 5 HHBDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccco1 ZINC000427798385 975294461 /nfs/dbraw/zinc/29/44/61/975294461.db2.gz CNAFPMDJVOITOX-HXUWFJFHSA-N -1 3 416.455 3.881 20 5 HHBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000429841022 977112553 /nfs/dbraw/zinc/11/25/53/977112553.db2.gz WNYOCAHFWYDKIT-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM Cc1ccc(-c2nc([N-]C(=O)c3ccc(Br)cc3[N+](=O)[O-])n[nH]2)cc1 ZINC000431021218 977960026 /nfs/dbraw/zinc/96/00/26/977960026.db2.gz IEMPFQQQRPUVPX-UHFFFAOYSA-N -1 3 402.208 3.703 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3)C2)c(C(F)(F)F)c1 ZINC000431642780 978402979 /nfs/dbraw/zinc/40/29/79/978402979.db2.gz HVLJKWYQZNGVNL-AULYBMBSSA-N -1 3 418.368 3.977 20 5 HHBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000431918354 978600488 /nfs/dbraw/zinc/60/04/88/978600488.db2.gz HJOAPHCEFMQDLJ-GOEBONIOSA-N -1 3 423.922 3.580 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000432308321 978755406 /nfs/dbraw/zinc/75/54/06/978755406.db2.gz RNXPOBKRJOOHBX-CQSZACIVSA-N -1 3 402.394 3.918 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000435601436 980957148 /nfs/dbraw/zinc/95/71/48/980957148.db2.gz MMKHNKATFSBAAV-JOCQHMNTSA-N -1 3 400.378 3.838 20 5 HHBDHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000436698715 981519254 /nfs/dbraw/zinc/51/92/54/981519254.db2.gz ZKTYSLYVTKMSCI-UHFFFAOYSA-N -1 3 407.426 3.518 20 5 HHBDHM Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000436975017 981660463 /nfs/dbraw/zinc/66/04/63/981660463.db2.gz FRNSGRSMFDOWFE-SFHVURJKSA-N -1 3 421.457 3.505 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(-c2cccnc2)cc1 ZINC000437704356 982307302 /nfs/dbraw/zinc/30/73/02/982307302.db2.gz AYCBAHIZPHHOCM-UHFFFAOYSA-N -1 3 403.847 3.789 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2F)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000439242490 983327956 /nfs/dbraw/zinc/32/79/56/983327956.db2.gz BVHSTAXYMHBPNJ-UHFFFAOYSA-N -1 3 424.161 3.673 20 5 HHBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000462502618 985453992 /nfs/dbraw/zinc/45/39/92/985453992.db2.gz PJXJCAUXKNRTEI-INIZCTEOSA-N -1 3 406.442 3.861 20 5 HHBDHM COc1cc(C(=O)[N-]c2c(F)cc(Br)cc2F)cc([N+](=O)[O-])c1OC ZINC000443883564 986084468 /nfs/dbraw/zinc/08/44/68/986084468.db2.gz VIFSBXKMJHCUFG-UHFFFAOYSA-N -1 3 417.162 3.905 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Br)c2ncccc12 ZINC000463512809 986489249 /nfs/dbraw/zinc/48/92/49/986489249.db2.gz LRGWYVCRWJCDQV-UHFFFAOYSA-N -1 3 408.233 3.706 20 5 HHBDHM O=C(CCCc1ccc([O-])c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000469418624 987107861 /nfs/dbraw/zinc/10/78/61/987107861.db2.gz TYCDWINIYJSNBU-UHFFFAOYSA-N -1 3 402.422 3.832 20 5 HHBDHM Nc1c(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)cc(F)cc1[N+](=O)[O-] ZINC000464334584 988475253 /nfs/dbraw/zinc/47/52/53/988475253.db2.gz MBVDWWWGNRCDMW-UHFFFAOYSA-N -1 3 407.814 3.664 20 5 HHBDHM Cc1cnc(CNc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])o1 ZINC000471242862 989389416 /nfs/dbraw/zinc/38/94/16/989389416.db2.gz HLSUMITYLDGPKH-UHFFFAOYSA-N -1 3 416.459 3.921 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000466883679 992204802 /nfs/dbraw/zinc/20/48/02/992204802.db2.gz ROEIXVUPQOJLJN-JTQLQIEISA-N -1 3 409.411 3.808 20 5 HHBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000467403750 992711060 /nfs/dbraw/zinc/71/10/60/992711060.db2.gz IVJXJEZNJQLLAK-MRVPVSSYSA-N -1 3 416.431 3.749 20 5 HHBDHM Nc1c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)cc(F)cc1[N+](=O)[O-] ZINC000473390516 994244807 /nfs/dbraw/zinc/24/48/07/994244807.db2.gz PYUXHOCWVUQKNW-UHFFFAOYSA-N -1 3 411.777 3.879 20 5 HHBDHM Cc1nc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])sc1-c1nc2ccccc2n1C(F)F ZINC000481996925 994897817 /nfs/dbraw/zinc/89/78/17/994897817.db2.gz GLQWRNOBAQXKCV-UHFFFAOYSA-N -1 3 419.373 3.747 20 5 HHBDHM COc1ccc(Sc2nsc([N-]C(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 ZINC000475064288 995899562 /nfs/dbraw/zinc/89/95/62/995899562.db2.gz DNZBLQNBDWOQMV-UHFFFAOYSA-N -1 3 418.456 3.867 20 5 HHBDHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000475832998 996401517 /nfs/dbraw/zinc/40/15/17/996401517.db2.gz OKMRGALOSOPCCA-UHFFFAOYSA-N -1 3 416.814 3.789 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@](C)(O)C3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000484512743 996843169 /nfs/dbraw/zinc/84/31/69/996843169.db2.gz HGSKRZCXCQFLBM-FQEVSTJZSA-N -1 3 419.503 3.585 20 5 HHBDHM COC(=O)c1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1 ZINC000484764684 997106826 /nfs/dbraw/zinc/10/68/26/997106826.db2.gz CXZWIWBMHYAZTB-UHFFFAOYSA-N -1 3 418.818 3.806 20 5 HHBDHM COc1c(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cccc1[N+](=O)[O-] ZINC000476863730 997436094 /nfs/dbraw/zinc/43/60/94/997436094.db2.gz YOTSKNYEOUWBRA-UHFFFAOYSA-N -1 3 404.835 3.951 20 5 HHBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21 ZINC000494126616 1000319215 /nfs/dbraw/zinc/31/92/15/1000319215.db2.gz AXGYNZFKFVWPHL-UHFFFAOYSA-N -1 3 408.292 3.529 20 5 HHBDHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)c[n-]c12 ZINC000494335324 1000438198 /nfs/dbraw/zinc/43/81/98/1000438198.db2.gz YGWVNWYABVGRGR-UHFFFAOYSA-N -1 3 407.361 3.526 20 5 HHBDHM CCOc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000499158632 1002543513 /nfs/dbraw/zinc/54/35/13/1002543513.db2.gz XPMRECRMUWUURK-UHFFFAOYSA-N -1 3 418.393 3.997 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)c(Br)c1 ZINC000508092950 1002616587 /nfs/dbraw/zinc/61/65/87/1002616587.db2.gz CBFCSHCETGLQJI-UHFFFAOYSA-N -1 3 415.309 3.604 20 5 HHBDHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000512589213 1004405419 /nfs/dbraw/zinc/40/54/19/1004405419.db2.gz UIBOFDQKHWBWIR-UHFFFAOYSA-N -1 3 409.299 3.714 20 5 HHBDHM CN(C(=O)c1ccc(Cl)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1)c1ccccc1 ZINC000503134629 1005354594 /nfs/dbraw/zinc/35/45/94/1005354594.db2.gz KDROVUCKDQBLIH-UHFFFAOYSA-N -1 3 413.821 3.511 20 5 HHBDHM CCOc1cc([N-]C(=O)c2cc(F)cc3nccnc32)c([N+](=O)[O-])cc1OCC ZINC000515600768 1006555526 /nfs/dbraw/zinc/55/55/26/1006555526.db2.gz DCHHXOCTDPVTEX-UHFFFAOYSA-N -1 3 400.366 3.727 20 5 HHBDHM Cc1sc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1[N+](=O)[O-] ZINC000533159373 1007497838 /nfs/dbraw/zinc/49/78/38/1007497838.db2.gz XHYFDGZWFJSWNL-UHFFFAOYSA-N -1 3 423.878 3.815 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)c(C(F)(F)F)c1 ZINC000533465521 1007775642 /nfs/dbraw/zinc/77/56/42/1007775642.db2.gz YAJNEGRPALTAPY-CQSZACIVSA-N -1 3 404.341 3.719 20 5 HHBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000533618571 1007920106 /nfs/dbraw/zinc/92/01/06/1007920106.db2.gz UGTGPXZNWUSDGR-UHFFFAOYSA-N -1 3 417.849 3.753 20 5 HHBDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000518146791 1008180769 /nfs/dbraw/zinc/18/07/69/1008180769.db2.gz IWBCHIBYUPMGEV-NRFANRHFSA-N -1 3 412.467 3.980 20 5 HHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CN2CCSCC2)cc1C ZINC000540332647 1008384465 /nfs/dbraw/zinc/38/44/65/1008384465.db2.gz BICVUVUWKRRULJ-UHFFFAOYSA-N -1 3 421.544 3.561 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000543690145 1009298847 /nfs/dbraw/zinc/29/88/47/1009298847.db2.gz XKWCJHFBFXHDKK-BBRMVZONSA-N -1 3 414.842 3.586 20 5 HHBDHM O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000521040145 1010069359 /nfs/dbraw/zinc/06/93/59/1010069359.db2.gz GUPMBSGBJZHKFE-UHFFFAOYSA-N -1 3 400.778 3.575 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000521295378 1010285402 /nfs/dbraw/zinc/28/54/02/1010285402.db2.gz CJARECRXCBPTAV-GFCCVEGCSA-N -1 3 420.310 3.552 20 5 HHBDHM COc1cc(C(=O)Nc2cc(C)ccc2[O-])c([N+](=O)[O-])cc1OCc1cscn1 ZINC000536218878 1011367500 /nfs/dbraw/zinc/36/75/00/1011367500.db2.gz DAIBSTLPKBTAHU-UHFFFAOYSA-N -1 3 415.427 3.905 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CCO[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000536721336 1011895511 /nfs/dbraw/zinc/89/55/11/1011895511.db2.gz BQPGMVGNKOHDLJ-JKSUJKDBSA-N -1 3 419.503 3.992 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000541825573 1012712417 /nfs/dbraw/zinc/71/24/17/1012712417.db2.gz KFAUQVMIMYKEML-AWEZNQCLSA-N -1 3 424.784 3.839 20 5 HHBDHM CC(C)CCSc1ccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000912686736 1072263708 /nfs/dbraw/zinc/26/37/08/1072263708.db2.gz WKSMCPQTTICFRU-UHFFFAOYSA-N -1 3 413.455 3.674 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3CC23CCOCC3)c(Cl)c1 ZINC000554964482 1072997500 /nfs/dbraw/zinc/99/75/00/1072997500.db2.gz WTHVXPRNIOUBRX-SFHVURJKSA-N -1 3 422.890 3.621 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-]CC2(c3c(F)cccc3F)CCC2)c(F)cc1[N+](=O)[O-] ZINC001212171394 1074752962 /nfs/dbraw/zinc/75/29/62/1074752962.db2.gz GWMBQDDKHVPEEJ-UHFFFAOYSA-N -1 3 414.405 3.721 20 5 HHBDHM CC[C@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC(F)(F)F ZINC001212184409 1075665833 /nfs/dbraw/zinc/66/58/33/1075665833.db2.gz HPGIZRVAQCCWBP-QMMMGPOBSA-N -1 3 419.219 3.614 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCc3ccon3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301483952 970952136 /nfs/dbraw/zinc/95/21/36/970952136.db2.gz UXIWLBSBDFKQEL-UHFFFAOYSA-N -1 3 402.432 3.613 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3C[C@H](O)C3(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000302431746 971237020 /nfs/dbraw/zinc/23/70/20/971237020.db2.gz OXQJMOKJWJCQTM-MOPGFXCFSA-N -1 3 419.503 3.584 20 5 HHBDHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)c[n-]c12 ZINC000553220173 1013187447 /nfs/dbraw/zinc/18/74/47/1013187447.db2.gz DEXNYTDEOXEVIJ-UHFFFAOYSA-N -1 3 420.194 3.899 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(C(F)(F)F)cc1 ZINC000029939877 965568307 /nfs/dbraw/zinc/56/83/07/965568307.db2.gz DDTVTEHSOLKDAZ-UHFFFAOYSA-N -1 3 408.785 3.788 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(Cl)c1 ZINC000056137636 966230046 /nfs/dbraw/zinc/23/00/46/966230046.db2.gz BTJAANNKZFVNKL-RDJZCZTQSA-N -1 3 414.842 3.586 20 5 HHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c1 ZINC000542729716 1013641696 /nfs/dbraw/zinc/64/16/96/1013641696.db2.gz TZXHJQTWLAZJRM-UHFFFAOYSA-N -1 3 421.544 3.874 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000071991217 968921696 /nfs/dbraw/zinc/92/16/96/968921696.db2.gz DNTZAMUVPWRLPN-VIFPVBQESA-N -1 3 406.794 3.889 20 5 HHBDHM CCNc1ccc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)cc1[N+](=O)[O-] ZINC000117299262 969945957 /nfs/dbraw/zinc/94/59/57/969945957.db2.gz RYBDKWRYBZEMTC-UHFFFAOYSA-N -1 3 407.430 3.592 20 5 HHBDHM CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccccc2[O-])cc1[N+](=O)[O-] ZINC000195550163 970506766 /nfs/dbraw/zinc/50/67/66/970506766.db2.gz YVNHABHNIQBWKG-UHFFFAOYSA-N -1 3 405.410 3.850 20 5 HHBDHM O=C([O-])[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)Oc1ccc(F)cc1 ZINC000426655626 974585799 /nfs/dbraw/zinc/58/57/99/974585799.db2.gz UAZYNJAZZKPZNL-IBGZPJMESA-N -1 3 400.362 3.616 20 5 HHBDHM O=C([O-])[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)Oc1ccc(F)cc1 ZINC000426655627 974585943 /nfs/dbraw/zinc/58/59/43/974585943.db2.gz UAZYNJAZZKPZNL-LJQANCHMSA-N -1 3 400.362 3.616 20 5 HHBDHM Cc1ccnc2nc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3Sc3cccs3)nn21 ZINC000435448885 980869111 /nfs/dbraw/zinc/86/91/11/980869111.db2.gz LMMWLHSEPUVNJF-UHFFFAOYSA-N -1 3 412.456 3.806 20 5 HHBDHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000436693966 981517229 /nfs/dbraw/zinc/51/72/29/981517229.db2.gz AETMBWWNMASNBE-UHFFFAOYSA-N -1 3 423.494 3.987 20 5 HHBDHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436907298 981613200 /nfs/dbraw/zinc/61/32/00/981613200.db2.gz XVELYNXMANBJFB-KRWDZBQOSA-N -1 3 421.457 3.505 20 5 HHBDHM O=C([N-]c1cc(-c2ccccc2F)on1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000448490781 981828815 /nfs/dbraw/zinc/82/88/15/981828815.db2.gz DJRIEMFJBIBRFW-UHFFFAOYSA-N -1 3 406.167 4.404 20 5 HHBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)cc1SC ZINC000448542979 981870784 /nfs/dbraw/zinc/87/07/84/981870784.db2.gz MMKQFEOBORQCNS-UHFFFAOYSA-N -1 3 403.391 4.372 20 5 HHBDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)c1C ZINC000461213701 982927184 /nfs/dbraw/zinc/92/71/84/982927184.db2.gz WEWMFGDVXQNRQN-UHFFFAOYSA-N -1 3 400.460 3.815 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)c(Br)c1 ZINC000462681246 985619734 /nfs/dbraw/zinc/61/97/34/985619734.db2.gz QCIRNSSDHDMAHI-UHFFFAOYSA-N -1 3 421.219 3.773 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CCSC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000463085281 986041505 /nfs/dbraw/zinc/04/15/05/986041505.db2.gz YIUOUGWXBOMYQH-CQSZACIVSA-N -1 3 407.517 3.930 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCSC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000463085278 986041786 /nfs/dbraw/zinc/04/17/86/986041786.db2.gz YIUOUGWXBOMYQH-AWEZNQCLSA-N -1 3 407.517 3.930 20 5 HHBDHM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]c2nc3ccc(F)cn3n2)cc1 ZINC000443918537 986122657 /nfs/dbraw/zinc/12/26/57/986122657.db2.gz GDANIZRWUWVXPL-UHFFFAOYSA-N -1 3 423.360 3.830 20 5 HHBDHM Cn1cnnc1Sc1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000443923557 986127478 /nfs/dbraw/zinc/12/74/78/986127478.db2.gz UGDIMQMMSTXWRM-UHFFFAOYSA-N -1 3 409.349 3.544 20 5 HHBDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000443977962 986182893 /nfs/dbraw/zinc/18/28/93/986182893.db2.gz ISKMCDHHLFSWIB-UHFFFAOYSA-N -1 3 420.834 3.658 20 5 HHBDHM Cc1csc(C2([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)CCC2)n1 ZINC000470767698 988810810 /nfs/dbraw/zinc/81/08/10/988810810.db2.gz VXFUNOUDKRMKJK-UHFFFAOYSA-N -1 3 401.897 3.679 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc(C(F)(F)F)cs1 ZINC000466884596 992205578 /nfs/dbraw/zinc/20/55/78/992205578.db2.gz XCFHPIXRJWVZRO-SNVBAGLBSA-N -1 3 409.411 3.808 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc(C(F)(F)F)cs1 ZINC000466884595 992205761 /nfs/dbraw/zinc/20/57/61/992205761.db2.gz XCFHPIXRJWVZRO-JTQLQIEISA-N -1 3 409.411 3.808 20 5 HHBDHM Cc1ccccc1[C@H]([C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)C ZINC000473933437 994906250 /nfs/dbraw/zinc/90/62/50/994906250.db2.gz QUHIEARJSVPAQV-GUYCJALGSA-N -1 3 411.911 3.526 20 5 HHBDHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000485133425 997517623 /nfs/dbraw/zinc/51/76/23/997517623.db2.gz MGGFROWESFSMCO-UHFFFAOYSA-N -1 3 415.369 3.564 20 5 HHBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000485133425 997517632 /nfs/dbraw/zinc/51/76/32/997517632.db2.gz MGGFROWESFSMCO-UHFFFAOYSA-N -1 3 415.369 3.564 20 5 HHBDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])o2)cs1 ZINC000477130917 997786230 /nfs/dbraw/zinc/78/62/30/997786230.db2.gz CJDIRIKXHWQQNH-UHFFFAOYSA-N -1 3 407.473 3.715 20 5 HHBDHM O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485413431 997847017 /nfs/dbraw/zinc/84/70/17/997847017.db2.gz YHWVGJPIZGHIGZ-UHFFFAOYSA-N -1 3 400.778 3.575 20 5 HHBDHM CCCCc1nc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c(C(=O)OCC)[n-]1 ZINC000485713554 998181568 /nfs/dbraw/zinc/18/15/68/998181568.db2.gz WOFUIQQFBKFWOW-UHFFFAOYSA-N -1 3 406.464 3.811 20 5 HHBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)c1F ZINC000478091750 998756718 /nfs/dbraw/zinc/75/67/18/998756718.db2.gz ZRUYQMUIRUEWBH-UHFFFAOYSA-N -1 3 415.146 3.674 20 5 HHBDHM Cc1cc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)o1 ZINC000488820997 999618414 /nfs/dbraw/zinc/61/84/14/999618414.db2.gz FKYAXTGBDROPPT-VIFPVBQESA-N -1 3 403.254 3.607 20 5 HHBDHM COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000479993614 999678141 /nfs/dbraw/zinc/67/81/41/999678141.db2.gz WDCJUQDFIDWTHF-AWEZNQCLSA-N -1 3 402.856 3.514 20 5 HHBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)nc21 ZINC000494071295 1000295014 /nfs/dbraw/zinc/29/50/14/1000295014.db2.gz GLNUYGZXOHKOQY-UHFFFAOYSA-N -1 3 423.410 3.634 20 5 HHBDHM COc1cccc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1[N+](=O)[O-] ZINC000497732323 1001498182 /nfs/dbraw/zinc/49/81/82/1001498182.db2.gz JMBFFSMHTWNBOD-UHFFFAOYSA-N -1 3 405.838 3.818 20 5 HHBDHM CN1CC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507092236 1001802141 /nfs/dbraw/zinc/80/21/41/1001802141.db2.gz ZYLHFXMLXNLPAZ-SGTLLEGYSA-N -1 3 407.829 3.516 20 5 HHBDHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507291607 1001975522 /nfs/dbraw/zinc/97/55/22/1001975522.db2.gz NXKLMADOEXQBBC-GOSISDBHSA-N -1 3 421.457 3.505 20 5 HHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508066346 1002587132 /nfs/dbraw/zinc/58/71/32/1002587132.db2.gz BNVFVWCUJRMJBZ-INIZCTEOSA-N -1 3 413.377 3.966 20 5 HHBDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(Cl)c1 ZINC000508070157 1002592104 /nfs/dbraw/zinc/59/21/04/1002592104.db2.gz UYIBQIUXLCPIJC-UHFFFAOYSA-N -1 3 412.851 3.761 20 5 HHBDHM O=C(Nc1ccc(Br)cc1[O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000534268139 1006274988 /nfs/dbraw/zinc/27/49/88/1006274988.db2.gz NMCXANDQNJLNGZ-UHFFFAOYSA-N -1 3 403.192 3.501 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000535249313 1007301150 /nfs/dbraw/zinc/30/11/50/1007301150.db2.gz XDABGAZMEPNAFK-MRVPVSSYSA-N -1 3 421.219 3.675 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000539547286 1007859650 /nfs/dbraw/zinc/85/96/50/1007859650.db2.gz CTQMMDUYULTIMX-INIZCTEOSA-N -1 3 419.503 3.993 20 5 HHBDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000518146792 1008180674 /nfs/dbraw/zinc/18/06/74/1008180674.db2.gz IWBCHIBYUPMGEV-OAQYLSRUSA-N -1 3 412.467 3.980 20 5 HHBDHM Cc1ccc(-c2nnc([N-]C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)s2)c(C)c1 ZINC000520229720 1009353813 /nfs/dbraw/zinc/35/38/13/1009353813.db2.gz GBYNGBLQFYEQCS-UHFFFAOYSA-N -1 3 421.442 3.563 20 5 HHBDHM CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c([O-])c1 ZINC000536336666 1011538645 /nfs/dbraw/zinc/53/86/45/1011538645.db2.gz KRZQGMPHAANTKG-UHFFFAOYSA-N -1 3 416.433 3.676 20 5 HHBDHM Cc1ncc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(=O)[n-]1 ZINC000541381834 1012101919 /nfs/dbraw/zinc/10/19/19/1012101919.db2.gz JMPUNVGVWTYBLR-UHFFFAOYSA-N -1 3 419.235 3.711 20 5 HHBDHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000537242802 1012684032 /nfs/dbraw/zinc/68/40/32/1012684032.db2.gz KHOGYOSJXLKXRK-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1Br ZINC000760362944 1072279733 /nfs/dbraw/zinc/27/97/33/1072279733.db2.gz MFZHVKMZBBTIJL-UHFFFAOYSA-N -1 3 411.155 3.575 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)c(F)cc1[N+](=O)[O-] ZINC000590591664 1073931584 /nfs/dbraw/zinc/93/15/84/1073931584.db2.gz WMIWQPDNKIOYLC-LLVKDONJSA-N -1 3 409.464 3.562 20 5 HHBDHM Cc1c(F)cccc1S(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001212171499 1074756432 /nfs/dbraw/zinc/75/64/32/1074756432.db2.gz IKGQVLASQSQLLL-AWEZNQCLSA-N -1 3 410.320 3.763 20 5 HHBDHM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2[N+](=O)[O-])C1 ZINC000602240876 1075722758 /nfs/dbraw/zinc/72/27/58/1075722758.db2.gz BUWLOHKXHXVUFR-KBPBESRZSA-N -1 3 421.461 3.510 20 5 HHBDHM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2[N+](=O)[O-])C1 ZINC000602240876 1075722768 /nfs/dbraw/zinc/72/27/68/1075722768.db2.gz BUWLOHKXHXVUFR-KBPBESRZSA-N -1 3 421.461 3.510 20 5 HHBDHM CC(C)(c1nnc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1)c1ccccc1 ZINC000303308721 971618502 /nfs/dbraw/zinc/61/85/02/971618502.db2.gz OKJNGJCZUQYUMH-UHFFFAOYSA-N -1 3 408.443 3.901 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000553210760 1013172908 /nfs/dbraw/zinc/17/29/08/1013172908.db2.gz PICRAUCRDHXQMX-QMMMGPOBSA-N -1 3 421.219 3.675 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)[C@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000553263075 1013229997 /nfs/dbraw/zinc/22/99/97/1013229997.db2.gz CMCAUHOPXGJWLJ-INIZCTEOSA-N -1 3 419.503 3.628 20 5 HHBDHM O=c1[n-]c(SCc2cccc([N+](=O)[O-])c2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000009521376 961649657 /nfs/dbraw/zinc/64/96/57/961649657.db2.gz XFFMFWWQPPWQJC-UHFFFAOYSA-N -1 3 413.846 3.963 20 5 HHBDHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000023345755 963803702 /nfs/dbraw/zinc/80/37/02/963803702.db2.gz RJNZMIKDHPAUJV-UHFFFAOYSA-N -1 3 413.333 3.952 20 5 HHBDHM Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c([O-])c1 ZINC000023557985 963851774 /nfs/dbraw/zinc/85/17/74/963851774.db2.gz RCSZAVQJCUMCMT-UHFFFAOYSA-N -1 3 409.364 3.590 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000056127854 966225382 /nfs/dbraw/zinc/22/53/82/966225382.db2.gz SMTLYVPAZODBDL-ZDUSSCGKSA-N -1 3 404.366 3.575 20 5 HHBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl ZINC000064243771 967104227 /nfs/dbraw/zinc/10/42/27/967104227.db2.gz PEJUDSGFAGEQQW-AWEZNQCLSA-N -1 3 417.940 3.671 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c(C(F)(F)F)c1 ZINC000409889860 973353251 /nfs/dbraw/zinc/35/32/51/973353251.db2.gz WIWNWBDPUPNZEW-UHFFFAOYSA-N -1 3 402.341 3.717 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000433446758 979311435 /nfs/dbraw/zinc/31/14/35/979311435.db2.gz IMJMYBUHWTZJEK-GXTWGEPZSA-N -1 3 404.341 3.587 20 5 HHBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000434552720 980247998 /nfs/dbraw/zinc/24/79/98/980247998.db2.gz YFXPRJZHBNADAQ-UHFFFAOYSA-N -1 3 404.220 3.540 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c(Br)c1 ZINC000435603994 980957952 /nfs/dbraw/zinc/95/79/52/980957952.db2.gz AYRQWVVVSNGOPD-JOCQHMNTSA-N -1 3 411.277 3.582 20 5 HHBDHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000436694143 981517090 /nfs/dbraw/zinc/51/70/90/981517090.db2.gz GGQAVLABMVEABZ-UHFFFAOYSA-N -1 3 423.494 3.987 20 5 HHBDHM O=C(c1ccccc1[O-])N1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000436919262 981623678 /nfs/dbraw/zinc/62/36/78/981623678.db2.gz KPNSVNYEISTWPR-UHFFFAOYSA-N -1 3 420.263 3.780 20 5 HHBDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccsc2Cl)cc([N+](=O)[O-])c1C ZINC000437676184 982290424 /nfs/dbraw/zinc/29/04/24/982290424.db2.gz ROJMUJDNLSRVAD-UHFFFAOYSA-N -1 3 404.853 3.596 20 5 HHBDHM Cc1ccc([C@H](Cn2ccnc2)[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)c1 ZINC000441929094 984546353 /nfs/dbraw/zinc/54/63/53/984546353.db2.gz HGXQLCADODPUCP-IBGZPJMESA-N -1 3 404.430 4.312 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)c(Cl)c1 ZINC000462612099 985555391 /nfs/dbraw/zinc/55/53/91/985555391.db2.gz BQPJHHFXGYSDDG-NSHDSACASA-N -1 3 423.661 3.967 20 5 HHBDHM COc1ccc([N-]C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c([N+](=O)[O-])c1 ZINC000468547729 986254507 /nfs/dbraw/zinc/25/45/07/986254507.db2.gz KOEPVJPOXAGXGK-UHFFFAOYSA-N -1 3 418.452 3.750 20 5 HHBDHM Cc1ccc(-c2nc(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)n[n-]2)o1 ZINC000444744008 986909593 /nfs/dbraw/zinc/90/95/93/986909593.db2.gz NIYFBZHPPCQQTP-UHFFFAOYSA-N -1 3 421.363 3.898 20 5 HHBDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000445726642 987790998 /nfs/dbraw/zinc/79/09/98/987790998.db2.gz UGGOYNUWMSHRDL-NSHDSACASA-N -1 3 419.219 3.613 20 5 HHBDHM O=C([N-]c1nnc(-c2cc3ccccc3o2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000470375882 988338207 /nfs/dbraw/zinc/33/82/07/988338207.db2.gz PKWYPJJWTYFGSI-UHFFFAOYSA-N -1 3 410.367 3.841 20 5 HHBDHM O=C(NCc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000473635299 994515798 /nfs/dbraw/zinc/51/57/98/994515798.db2.gz IKFXUYPXMHZTHF-UHFFFAOYSA-N -1 3 412.833 3.891 20 5 HHBDHM Cc1csc(Sc2ccc(C(=O)NCc3ncccc3[O-])cc2[N+](=O)[O-])n1 ZINC000473640891 994522637 /nfs/dbraw/zinc/52/26/37/994522637.db2.gz SFFLTQBTOZFVKH-UHFFFAOYSA-N -1 3 402.457 3.542 20 5 HHBDHM O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484739639 997082552 /nfs/dbraw/zinc/08/25/52/997082552.db2.gz UZJMLKQINWERBJ-UHFFFAOYSA-N -1 3 409.836 3.604 20 5 HHBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1F ZINC000485159183 997542670 /nfs/dbraw/zinc/54/26/70/997542670.db2.gz FCXDTESOGHJKRX-UHFFFAOYSA-N -1 3 404.247 3.931 20 5 HHBDHM Cc1ccc(Sc2ccc(C(=O)N3CCc4nc[n-]c(=O)c4C3)cc2[N+](=O)[O-])cc1 ZINC000476971031 997589724 /nfs/dbraw/zinc/58/97/24/997589724.db2.gz RJGQQBHSXPYDRP-UHFFFAOYSA-N -1 3 422.466 3.749 20 5 HHBDHM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485408136 997840649 /nfs/dbraw/zinc/84/06/49/997840649.db2.gz DLPYKHGVDVNHHH-NDEPHWFRSA-N -1 3 403.460 3.529 20 5 HHBDHM O=[N+]([O-])c1cc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc(C(F)(F)F)c1 ZINC000487345442 999141724 /nfs/dbraw/zinc/14/17/24/999141724.db2.gz LIOBMOUOJHDWMZ-UHFFFAOYSA-N -1 3 414.283 3.509 20 5 HHBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000479993617 999678116 /nfs/dbraw/zinc/67/81/16/999678116.db2.gz WDCJUQDFIDWTHF-CQSZACIVSA-N -1 3 402.856 3.514 20 5 HHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(CN2CCCC2)ccc1C ZINC000489551521 999790550 /nfs/dbraw/zinc/79/05/50/999790550.db2.gz PFECQQYJHHOJEB-UHFFFAOYSA-N -1 3 403.504 3.862 20 5 HHBDHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489630220 999806086 /nfs/dbraw/zinc/80/60/86/999806086.db2.gz ZPUYJGTZIBSGRB-UHFFFAOYSA-N -1 3 404.791 3.748 20 5 HHBDHM O=C(Nc1nc(-c2ccccc2)c(Br)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000492417819 1000125926 /nfs/dbraw/zinc/12/59/26/1000125926.db2.gz LNVBTBDEXMHQRF-UHFFFAOYSA-N -1 3 421.232 3.834 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cn(C4CCCC4)nc32)c(Cl)c1 ZINC000506599074 1001467568 /nfs/dbraw/zinc/46/75/68/1001467568.db2.gz ZULDITZZIBQKEN-MRXNPFEDSA-N -1 3 424.910 3.916 20 5 HHBDHM CCc1ccc([O-])c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000500416720 1003704154 /nfs/dbraw/zinc/70/41/54/1003704154.db2.gz XQAPKQUSXXVEHY-UHFFFAOYSA-N -1 3 423.391 3.844 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccc(F)cc3)c2)c(F)c1 ZINC000504009962 1005531819 /nfs/dbraw/zinc/53/18/19/1005531819.db2.gz UHITUHSHDRBZPG-UHFFFAOYSA-N -1 3 421.381 3.539 20 5 HHBDHM COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000534212966 1006207623 /nfs/dbraw/zinc/20/76/23/1006207623.db2.gz XGTOVFSJAIPCTA-UHFFFAOYSA-N -1 3 424.504 3.552 20 5 HHBDHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000531492735 1006230278 /nfs/dbraw/zinc/23/02/78/1006230278.db2.gz PJMXCGNMTFVUJC-UHFFFAOYSA-N -1 3 403.192 3.501 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](C)c3cn[nH]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000535987271 1008025960 /nfs/dbraw/zinc/02/59/60/1008025960.db2.gz IYKMEXUVYOEIOF-CQSZACIVSA-N -1 3 415.475 3.909 20 5 HHBDHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000533884243 1008179256 /nfs/dbraw/zinc/17/92/56/1008179256.db2.gz ALQBULJEPURJKB-LLVKDONJSA-N -1 3 416.377 3.553 20 5 HHBDHM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000540336563 1008386553 /nfs/dbraw/zinc/38/65/53/1008386553.db2.gz TVASXMNPANMQHP-UHFFFAOYSA-N -1 3 421.544 3.561 20 5 HHBDHM O=[N+]([O-])c1ccccc1OC[C@H](O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000543119897 1008692918 /nfs/dbraw/zinc/69/29/18/1008692918.db2.gz CTBMSUWEVOJQSD-NSHDSACASA-N -1 3 422.463 3.861 20 5 HHBDHM CC(C)(C(=O)NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1F ZINC000545871105 1008960086 /nfs/dbraw/zinc/96/00/86/1008960086.db2.gz YWYBUVKMPPFGTR-UHFFFAOYSA-N -1 3 411.227 3.796 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(Cl)cc32)c(F)c1 ZINC000520739921 1009809145 /nfs/dbraw/zinc/80/91/45/1009809145.db2.gz IVJKNPUOYAOOHB-CYBMUJFWSA-N -1 3 402.856 3.903 20 5 HHBDHM O=[N+]([O-])c1ccccc1-c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000551070714 1010347970 /nfs/dbraw/zinc/34/79/70/1010347970.db2.gz DMIXTAJPSNVRNR-UHFFFAOYSA-N -1 3 413.191 3.859 20 5 HHBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541029516 1011665047 /nfs/dbraw/zinc/66/50/47/1011665047.db2.gz IOFZPGXRNNDYGQ-UHFFFAOYSA-N -1 3 417.162 3.594 20 5 HHBDHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C(F)(F)F)c1 ZINC000523296888 1011777729 /nfs/dbraw/zinc/77/77/29/1011777729.db2.gz PDXRWXLEELSJJN-UHFFFAOYSA-N -1 3 424.422 3.941 20 5 HHBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000541530868 1012313373 /nfs/dbraw/zinc/31/33/73/1012313373.db2.gz NUSOQUGDHJXQTC-UHFFFAOYSA-N -1 3 413.171 3.626 20 5 HHBDHM C[C@@H](c1ccccc1)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000523864330 1012561200 /nfs/dbraw/zinc/56/12/00/1012561200.db2.gz NAAPEGYKKURYPD-AWEZNQCLSA-N -1 3 423.922 3.752 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541832226 1012719732 /nfs/dbraw/zinc/71/97/32/1012719732.db2.gz YYBQFNJQCFRDSE-ZBFHGGJFSA-N -1 3 414.842 3.586 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2nc3ccccc3s2)c(F)cc1[N+](=O)[O-] ZINC000590591665 1073931652 /nfs/dbraw/zinc/93/16/52/1073931652.db2.gz WMIWQPDNKIOYLC-NSHDSACASA-N -1 3 409.464 3.562 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000553210759 1013173042 /nfs/dbraw/zinc/17/30/42/1013173042.db2.gz PICRAUCRDHXQMX-MRVPVSSYSA-N -1 3 421.219 3.675 20 5 HHBDHM O=c1[n-]c(SCCOc2ccccc2[N+](=O)[O-])nc2c1cnn2-c1ccccc1 ZINC000053210853 965090278 /nfs/dbraw/zinc/09/02/78/965090278.db2.gz WAVPTYNUCNWALH-UHFFFAOYSA-N -1 3 409.427 3.600 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2csc(Br)c2)c(Cl)c1 ZINC000056055953 966196425 /nfs/dbraw/zinc/19/64/25/966196425.db2.gz HJXABSBBXLIMKA-UHFFFAOYSA-N -1 3 411.686 3.551 20 5 HHBDHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000064896842 967322131 /nfs/dbraw/zinc/32/21/31/967322131.db2.gz PMLNLPGAGVRALS-UHFFFAOYSA-N -1 3 421.431 3.513 20 5 HHBDHM COC(=O)c1cc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)cc([N+](=O)[O-])c1 ZINC000065083096 967369675 /nfs/dbraw/zinc/36/96/75/967369675.db2.gz OINLOWHSOJGYND-UHFFFAOYSA-N -1 3 412.427 3.769 20 5 HHBDHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-])CCCCC2 ZINC000427281391 975022875 /nfs/dbraw/zinc/02/28/75/975022875.db2.gz PWRARHBLTIEAIL-UHFFFAOYSA-N -1 3 406.464 3.571 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(OCC(F)(F)F)cc3s2)n1 ZINC000427289823 975027327 /nfs/dbraw/zinc/02/73/27/975027327.db2.gz WVPMISATYWWVSP-UHFFFAOYSA-N -1 3 415.353 3.614 20 5 HHBDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccco1 ZINC000427798384 975294761 /nfs/dbraw/zinc/29/47/61/975294761.db2.gz CNAFPMDJVOITOX-FQEVSTJZSA-N -1 3 416.455 3.881 20 5 HHBDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000427803209 975298701 /nfs/dbraw/zinc/29/87/01/975298701.db2.gz LJTAVHBIPGRFPK-IBGZPJMESA-N -1 3 402.428 3.573 20 5 HHBDHM COc1cc(CNc2ccc(C(=O)Nc3nccs3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000428341093 975652632 /nfs/dbraw/zinc/65/26/32/975652632.db2.gz UNBYJTMWEUHZPD-UHFFFAOYSA-N -1 3 400.416 3.630 20 5 HHBDHM CCOC(=O)c1nnc(-c2cccc(CNc3ccc([N+](=O)[O-])cc3Cl)c2)[n-]1 ZINC000432937192 979016228 /nfs/dbraw/zinc/01/62/28/979016228.db2.gz GTQFTQATIDVOFL-UHFFFAOYSA-N -1 3 401.810 3.822 20 5 HHBDHM CCOC(=O)c1nc(-c2cccc(CNc3ccc([N+](=O)[O-])cc3Cl)c2)n[n-]1 ZINC000432937192 979016231 /nfs/dbraw/zinc/01/62/31/979016231.db2.gz GTQFTQATIDVOFL-UHFFFAOYSA-N -1 3 401.810 3.822 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000435441464 980864390 /nfs/dbraw/zinc/86/43/90/980864390.db2.gz FUFNPGIBAUJTLG-TZMCWYRMSA-N -1 3 404.341 3.587 20 5 HHBDHM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000436982525 981666034 /nfs/dbraw/zinc/66/60/34/981666034.db2.gz UUBXESUMFFQLEI-QGZVFWFLSA-N -1 3 421.457 3.505 20 5 HHBDHM COC[C@H](Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])C1CC1 ZINC000441958452 984566027 /nfs/dbraw/zinc/56/60/27/984566027.db2.gz QKKPHKTUCYBDCS-IBGZPJMESA-N -1 3 419.503 3.849 20 5 HHBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000462295342 985282115 /nfs/dbraw/zinc/28/21/15/985282115.db2.gz KILNACXVETYXNL-OAHLLOKOSA-N -1 3 403.913 3.925 20 5 HHBDHM CCCOc1cc([N-]C(=O)c2ncn(C(C)(C)C)n2)c([N+](=O)[O-])cc1OCCC ZINC000463279819 986246967 /nfs/dbraw/zinc/24/69/67/986246967.db2.gz BCMMBHSAUKDIPQ-UHFFFAOYSA-N -1 3 405.455 3.771 20 5 HHBDHM O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444836741 986994333 /nfs/dbraw/zinc/99/43/33/986994333.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000476552980 997045998 /nfs/dbraw/zinc/04/59/98/997045998.db2.gz URQPEIOMSRPFGC-UHFFFAOYSA-N -1 3 400.378 3.667 20 5 HHBDHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485110477 997491050 /nfs/dbraw/zinc/49/10/50/997491050.db2.gz WCZKLHVMJYRFLQ-UHFFFAOYSA-N -1 3 415.369 3.564 20 5 HHBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485110477 997491063 /nfs/dbraw/zinc/49/10/63/997491063.db2.gz WCZKLHVMJYRFLQ-UHFFFAOYSA-N -1 3 415.369 3.564 20 5 HHBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485127575 997512207 /nfs/dbraw/zinc/51/22/07/997512207.db2.gz VCDMKPDVNZFYGH-UHFFFAOYSA-N -1 3 402.370 3.789 20 5 HHBDHM CC[C@H](O)CCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000477150921 997810802 /nfs/dbraw/zinc/81/08/02/997810802.db2.gz LXYASCYKEVGYBU-HNNXBMFYSA-N -1 3 407.492 3.585 20 5 HHBDHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000485944166 998387479 /nfs/dbraw/zinc/38/74/79/998387479.db2.gz WKRCIZUARWMXDH-UHFFFAOYSA-N -1 3 424.413 3.527 20 5 HHBDHM CNC(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c(Cl)c1 ZINC000486313665 998708130 /nfs/dbraw/zinc/70/81/30/998708130.db2.gz CFSMXNCKIDWIJP-UHFFFAOYSA-N -1 3 418.656 3.684 20 5 HHBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000487331718 999137627 /nfs/dbraw/zinc/13/76/27/999137627.db2.gz CCCHNEZPUHSOEP-CQSZACIVSA-N -1 3 405.259 3.568 20 5 HHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc2)n1 ZINC000487713750 999262613 /nfs/dbraw/zinc/26/26/13/999262613.db2.gz DIBYCTAIRBAJLQ-UHFFFAOYSA-N -1 3 416.340 3.507 20 5 HHBDHM CCC[C@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000488142711 999391772 /nfs/dbraw/zinc/39/17/72/999391772.db2.gz CARKEGKAXTXREO-HNNXBMFYSA-N -1 3 407.492 3.585 20 5 HHBDHM CC(C)(NC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1[N+](=O)[O-] 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QECGOJYVSXCABH-UHFFFAOYSA-N -1 3 422.369 3.976 20 5 HHBDHM O=C(Nc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C1CCCCC1 ZINC000520627586 1009704518 /nfs/dbraw/zinc/70/45/18/1009704518.db2.gz UHGSDJBTJFPDAR-UHFFFAOYSA-N -1 3 417.487 3.592 20 5 HHBDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000520834309 1009893427 /nfs/dbraw/zinc/89/34/27/1009893427.db2.gz YXCIBOBNUDMZRS-FQEVSTJZSA-N -1 3 412.467 3.980 20 5 HHBDHM COC(=O)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc([N+](=O)[O-])c1 ZINC000521076237 1010092915 /nfs/dbraw/zinc/09/29/15/1010092915.db2.gz BAVDPVWWWTYWHO-UHFFFAOYSA-N -1 3 423.429 3.716 20 5 HHBDHM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2[N+](=O)[O-])C1 ZINC000521465024 1010386771 /nfs/dbraw/zinc/38/67/71/1010386771.db2.gz LIGPMZNBDLLUHJ-KBPBESRZSA-N -1 3 421.461 3.510 20 5 HHBDHM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2[N+](=O)[O-])C1 ZINC000521465024 1010386780 /nfs/dbraw/zinc/38/67/80/1010386780.db2.gz LIGPMZNBDLLUHJ-KBPBESRZSA-N -1 3 421.461 3.510 20 5 HHBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551161264 1010407345 /nfs/dbraw/zinc/40/73/45/1010407345.db2.gz QDKRWXUDRDVJLE-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccn2)cc1 ZINC000522374098 1010965606 /nfs/dbraw/zinc/96/56/06/1010965606.db2.gz HDWKBTOLBNUANE-INIZCTEOSA-N -1 3 403.485 3.622 20 5 HHBDHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000522714987 1011174287 /nfs/dbraw/zinc/17/42/87/1011174287.db2.gz NNRBQASJXMHLLF-UHFFFAOYSA-N -1 3 418.365 3.915 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCC[C@H](C)CO)c([N+](=O)[O-])c2)c(C)c1 ZINC000536136315 1011259047 /nfs/dbraw/zinc/25/90/47/1011259047.db2.gz NMHJKDCPTXYWFO-HNNXBMFYSA-N -1 3 421.519 3.833 20 5 HHBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000536194804 1011337493 /nfs/dbraw/zinc/33/74/93/1011337493.db2.gz XUTIHFDCBWKRFF-SFHVURJKSA-N -1 3 409.364 3.694 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H]3CCCCO3)c([N+](=O)[O-])c2)c(C)c1 ZINC000552455446 1012479452 /nfs/dbraw/zinc/47/94/52/1012479452.db2.gz YIDRWOSCYLYKAN-INIZCTEOSA-N -1 3 419.503 3.993 20 5 HHBDHM COC(=O)c1cc(C)nc2nc(SCc3ccc(Cl)cc3[N+](=O)[O-])[n-]c(=O)c21 ZINC000523809674 1012482998 /nfs/dbraw/zinc/48/29/98/1012482998.db2.gz WPHDUNFHMPEETL-UHFFFAOYSA-N -1 3 420.834 3.679 20 5 HHBDHM Cc1ccc(-c2csc3[n-]c(Cn4cccc([N+](=O)[O-])c4=O)nc(=O)c23)s1 ZINC000523950810 1012690884 /nfs/dbraw/zinc/69/08/84/1012690884.db2.gz BEQNIXIISIBSPD-UHFFFAOYSA-N -1 3 400.441 3.552 20 5 HHBDHM CC(C)([N-]C(=O)C(F)(F)c1ncccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC001126918812 1074072428 /nfs/dbraw/zinc/07/24/28/1074072428.db2.gz LFYITLLOVSARRB-UHFFFAOYSA-N -1 3 414.206 3.896 20 5 HHBDHM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2[N+](=O)[O-])C1 ZINC000602240878 1075722675 /nfs/dbraw/zinc/72/26/75/1075722675.db2.gz BUWLOHKXHXVUFR-ZIAGYGMSSA-N -1 3 421.461 3.510 20 5 HHBDHM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2[N+](=O)[O-])C1 ZINC000602240878 1075722680 /nfs/dbraw/zinc/72/26/80/1075722680.db2.gz BUWLOHKXHXVUFR-ZIAGYGMSSA-N -1 3 421.461 3.510 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCO[C@H](C)[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000301726463 971043781 /nfs/dbraw/zinc/04/37/81/971043781.db2.gz VHNNFWBQFXGLGN-HZPDHXFCSA-N -1 3 419.503 3.626 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@]3(C)CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301827175 971077920 /nfs/dbraw/zinc/07/79/20/971077920.db2.gz JNLPBYBYNOQICF-LJQANCHMSA-N -1 3 405.476 3.603 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Br)c(F)c1 ZINC000302989608 971439261 /nfs/dbraw/zinc/43/92/61/971439261.db2.gz MEUPCTJKVODGOB-UHFFFAOYSA-N -1 3 423.647 3.628 20 5 HHBDHM COc1cc(C(=O)Nc2ccccc2[O-])c([N+](=O)[O-])cc1OCc1cscn1 ZINC000057140043 965306944 /nfs/dbraw/zinc/30/69/44/965306944.db2.gz GRMIEHLVYPMHOZ-UHFFFAOYSA-N -1 3 401.400 3.597 20 5 HHBDHM COc1ccc2ccccc2c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000030008308 965594253 /nfs/dbraw/zinc/59/42/53/965594253.db2.gz CQERFDYMYGHPSN-UHFFFAOYSA-N -1 3 406.847 3.889 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c(Cl)c1 ZINC000056137639 966230175 /nfs/dbraw/zinc/23/01/75/966230175.db2.gz BTJAANNKZFVNKL-WBVHZDCISA-N -1 3 414.842 3.586 20 5 HHBDHM CCC(O)(CC)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000063992700 967020884 /nfs/dbraw/zinc/02/08/84/967020884.db2.gz PMFYEYWEHFSYQM-UHFFFAOYSA-N -1 3 421.519 3.975 20 5 HHBDHM Cc1n[nH]cc1CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000138935723 970015818 /nfs/dbraw/zinc/01/58/18/970015818.db2.gz KNGAMOPQENTODB-UHFFFAOYSA-N -1 3 415.475 3.656 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2c2ccccc2)c(Cl)c1 ZINC000146245621 970284713 /nfs/dbraw/zinc/28/47/13/970284713.db2.gz GIYYDPPYQRATFS-RDTXWAMCSA-N -1 3 410.879 3.694 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000146297983 970286028 /nfs/dbraw/zinc/28/60/28/970286028.db2.gz VUNFEKXFUUYPKW-KSSFIOAISA-N -1 3 410.879 3.694 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)sc1Br ZINC000318609908 972665275 /nfs/dbraw/zinc/66/52/75/972665275.db2.gz QOFKDKVBPRVULD-UHFFFAOYSA-N -1 3 405.295 3.514 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1[N+](=O)[O-] ZINC000323214360 972709958 /nfs/dbraw/zinc/70/99/58/972709958.db2.gz SSRRQDCXJVOYDN-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)c(Cl)c1 ZINC000324035019 972718147 /nfs/dbraw/zinc/71/81/47/972718147.db2.gz VDQZBTOENFWYHN-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM O=C([N-]c1ccc(-c2cncnc2)cn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000410152553 973640379 /nfs/dbraw/zinc/64/03/79/973640379.db2.gz AHCZLKMYXIUVLW-UHFFFAOYSA-N -1 3 406.221 3.523 20 5 HHBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1csc(-c2ccc(F)cc2)n1 ZINC000426809274 974676811 /nfs/dbraw/zinc/67/68/11/974676811.db2.gz UPWCWZIKYXOTGE-INIZCTEOSA-N -1 3 401.419 3.643 20 5 HHBDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000427789165 975289498 /nfs/dbraw/zinc/28/94/98/975289498.db2.gz LVUOAAPAXAZRAD-LJQANCHMSA-N -1 3 402.428 3.573 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000432299836 978751385 /nfs/dbraw/zinc/75/13/85/978751385.db2.gz GOEQBKUMNSUXRF-CQSZACIVSA-N -1 3 418.393 3.618 20 5 HHBDHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000436693906 981517176 /nfs/dbraw/zinc/51/71/76/981517176.db2.gz FGWQZUWAVMSMOR-UHFFFAOYSA-N -1 3 423.494 3.987 20 5 HHBDHM CCn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000436734930 981537523 /nfs/dbraw/zinc/53/75/23/981537523.db2.gz FNTKJBJWLDNWBO-UHFFFAOYSA-N -1 3 424.442 3.921 20 5 HHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)n1 ZINC000437296759 981949687 /nfs/dbraw/zinc/94/96/87/981949687.db2.gz WMZUDZIAWDQWBI-UHFFFAOYSA-N -1 3 418.331 3.925 20 5 HHBDHM CC(C)c1nn(C)c2sc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[n-]3)cc12 ZINC000439190989 983301125 /nfs/dbraw/zinc/30/11/25/983301125.db2.gz XJVDLZCKPJVXNX-UHFFFAOYSA-N -1 3 411.447 3.704 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)c(C(F)(F)F)c1 ZINC000443107350 985378629 /nfs/dbraw/zinc/37/86/29/985378629.db2.gz YOWLRKWUEMLOMV-UHFFFAOYSA-N -1 3 413.377 3.616 20 5 HHBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000462721424 985668573 /nfs/dbraw/zinc/66/85/73/985668573.db2.gz MJNSFWLSSFRGKZ-UHFFFAOYSA-N -1 3 408.785 3.788 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1C ZINC000443970070 986177322 /nfs/dbraw/zinc/17/73/22/986177322.db2.gz IAJDOHVIPSLEFP-CQSZACIVSA-N -1 3 418.393 3.884 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)ccc1[N+](=O)[O-] ZINC000444029639 986224941 /nfs/dbraw/zinc/22/49/41/986224941.db2.gz JFIUVGHSVOPUES-UHFFFAOYSA-N -1 3 421.544 3.561 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)c(C(F)(F)F)c1 ZINC000444219786 986404173 /nfs/dbraw/zinc/40/41/73/986404173.db2.gz MKLZSDNRXFTWCX-ZDUSSCGKSA-N -1 3 420.340 3.555 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c(C(F)(F)F)c1 ZINC000444219783 986404586 /nfs/dbraw/zinc/40/45/86/986404586.db2.gz MKLZSDNRXFTWCX-CYBMUJFWSA-N -1 3 420.340 3.555 20 5 HHBDHM Cc1ccc(-c2nc(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)n[n-]2)o1 ZINC000444743887 986909939 /nfs/dbraw/zinc/90/99/39/986909939.db2.gz NENHHJLFTSUTGV-UHFFFAOYSA-N -1 3 421.363 3.898 20 5 HHBDHM O=C(Nc1cc(Br)cc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445003259 987133075 /nfs/dbraw/zinc/13/30/75/987133075.db2.gz FTMXZZLHZYQGSZ-UHFFFAOYSA-N -1 3 406.114 3.729 20 5 HHBDHM COc1ccc(COCc2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)cc1 ZINC000445187277 987266423 /nfs/dbraw/zinc/26/64/23/987266423.db2.gz HOLPALIIPUJPRE-UHFFFAOYSA-N -1 3 409.398 3.673 20 5 HHBDHM Cc1nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)sc1Cc1cccc(Cl)c1 ZINC000445193540 987270682 /nfs/dbraw/zinc/27/06/82/987270682.db2.gz ZUAOTTHJQNHARD-UHFFFAOYSA-N -1 3 404.835 3.957 20 5 HHBDHM CCOc1cc([N-]C(=O)c2cc3nccnc3cc2F)c([N+](=O)[O-])cc1OCC ZINC000470740272 988778974 /nfs/dbraw/zinc/77/89/74/988778974.db2.gz KRYQWJLJRXFKRW-UHFFFAOYSA-N -1 3 400.366 3.727 20 5 HHBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)cccc2SC)cc1OC ZINC000472242830 993270727 /nfs/dbraw/zinc/27/07/27/993270727.db2.gz SYZSMPOQVXEUDO-UHFFFAOYSA-N -1 3 406.460 3.911 20 5 HHBDHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c2ccccn2)c1 ZINC000480723824 993591673 /nfs/dbraw/zinc/59/16/73/993591673.db2.gz GCTDBYAZMNXHPB-LJQANCHMSA-N -1 3 411.483 3.983 20 5 HHBDHM Cc1ccc(Cc2cnc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)s2)cc1Cl ZINC000484266048 996667979 /nfs/dbraw/zinc/66/79/79/996667979.db2.gz XSQGKARUKATDMQ-UHFFFAOYSA-N -1 3 404.835 3.957 20 5 HHBDHM CC[C@@H](O)CCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000477150922 997810925 /nfs/dbraw/zinc/81/09/25/997810925.db2.gz LXYASCYKEVGYBU-OAHLLOKOSA-N -1 3 407.492 3.585 20 5 HHBDHM CCCCc1nc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C(=O)OCC)[n-]1 ZINC000485699344 998162352 /nfs/dbraw/zinc/16/23/52/998162352.db2.gz HBECFWZTUDUONP-NSHDSACASA-N -1 3 406.414 3.719 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(Oc3ccccc3F)c2)c(F)c1 ZINC000486853901 998974389 /nfs/dbraw/zinc/97/43/89/998974389.db2.gz BNKFPQUYMZFMKT-UHFFFAOYSA-N -1 3 421.381 3.539 20 5 HHBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc([O-])c(Br)c1 ZINC000488682732 999570584 /nfs/dbraw/zinc/57/05/84/999570584.db2.gz YBSGJVJEEIJBBL-UHFFFAOYSA-N -1 3 408.252 3.571 20 5 HHBDHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000488763495 999600309 /nfs/dbraw/zinc/60/03/09/999600309.db2.gz PZTPOIQAQGMQIZ-QGZVFWFLSA-N -1 3 408.476 3.822 20 5 HHBDHM CC[C@@H](c1nnc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1)c1ccccc1 ZINC000489379512 999754881 /nfs/dbraw/zinc/75/48/81/999754881.db2.gz MIHZLFZYQCCIQV-CYBMUJFWSA-N -1 3 412.427 3.969 20 5 HHBDHM COCCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480629395 999845218 /nfs/dbraw/zinc/84/52/18/999845218.db2.gz FEOYSVKMNLFFQN-MRXNPFEDSA-N -1 3 412.895 3.564 20 5 HHBDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480630696 999845470 /nfs/dbraw/zinc/84/54/70/999845470.db2.gz NDLKFNQXFVTVIP-FQEVSTJZSA-N -1 3 411.483 3.983 20 5 HHBDHM Cc1nnc([C@@H](C)Nc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)o1 ZINC000492727124 1000141494 /nfs/dbraw/zinc/14/14/94/1000141494.db2.gz FYAFWARHKFMHKP-GFCCVEGCSA-N -1 3 417.447 3.569 20 5 HHBDHM CSc1ccc(-c2nsc([N-]C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)cc1 ZINC000497358924 1001308294 /nfs/dbraw/zinc/30/82/94/1001308294.db2.gz YKFJKUVJUKYZNT-UHFFFAOYSA-N -1 3 416.440 3.816 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(OCC(F)(F)F)c1 ZINC000499175744 1002565359 /nfs/dbraw/zinc/56/53/59/1002565359.db2.gz LXSSKFITSOQHDA-UHFFFAOYSA-N -1 3 418.393 3.829 20 5 HHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508086433 1002607885 /nfs/dbraw/zinc/60/78/85/1002607885.db2.gz RSJUCCARDDAAGQ-UHFFFAOYSA-N -1 3 406.645 3.515 20 5 HHBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000499290265 1002701389 /nfs/dbraw/zinc/70/13/89/1002701389.db2.gz IKGSTTVYPTZFPQ-UHFFFAOYSA-N -1 3 424.385 3.567 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C[C@H](C)OC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000502087612 1004896322 /nfs/dbraw/zinc/89/63/22/1004896322.db2.gz ITCDCARJSIISAY-HOTGVXAUSA-N -1 3 419.503 3.626 20 5 HHBDHM Cc1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cnc1N1CCCC[C@H]1C ZINC000503274847 1005381935 /nfs/dbraw/zinc/38/19/35/1005381935.db2.gz JQVMLVPGBNAPEZ-GFCCVEGCSA-N -1 3 410.521 3.886 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(F)ccc1Br ZINC000515518646 1006511247 /nfs/dbraw/zinc/51/12/47/1006511247.db2.gz LXRJRCJRDISUSW-UHFFFAOYSA-N -1 3 423.647 3.628 20 5 HHBDHM Cc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc([N+](=O)[O-])c1 ZINC000533158573 1007497089 /nfs/dbraw/zinc/49/70/89/1007497089.db2.gz GCLVPYQDFHVABT-UHFFFAOYSA-N -1 3 417.849 3.753 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1c(C)noc1C ZINC000533797691 1008117955 /nfs/dbraw/zinc/11/79/55/1008117955.db2.gz SFKOSGYVJZIGKQ-GFCCVEGCSA-N -1 3 407.370 3.648 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccnc2)c(Cl)c1 ZINC000518423652 1008299233 /nfs/dbraw/zinc/29/92/33/1008299233.db2.gz MIUNHYJGTFISAU-GOSISDBHSA-N -1 3 403.847 3.711 20 5 HHBDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000518704272 1008398358 /nfs/dbraw/zinc/39/83/58/1008398358.db2.gz CZIQBSALVURAKL-LKFCYVNXSA-N -1 3 415.265 3.552 20 5 HHBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc2c(c1)ncn2-c1ccccc1 ZINC000546088117 1009112512 /nfs/dbraw/zinc/11/25/12/1009112512.db2.gz MEMSHWFBHUBWBX-UHFFFAOYSA-N -1 3 408.439 3.876 20 5 HHBDHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541013673 1011647980 /nfs/dbraw/zinc/64/79/80/1011647980.db2.gz AHCJBJIZKGHXGE-UHFFFAOYSA-N -1 3 403.135 3.917 20 5 HHBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000541533015 1012315203 /nfs/dbraw/zinc/31/52/03/1012315203.db2.gz MSMVGJRUKLWMAF-UHFFFAOYSA-N -1 3 413.171 3.626 20 5 HHBDHM O=[N+]([O-])c1ccc(Oc2cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c2)cc1 ZINC000571098192 1072562288 /nfs/dbraw/zinc/56/22/88/1072562288.db2.gz KAZQIKKOXOHXKR-UHFFFAOYSA-N -1 3 420.365 3.708 20 5 HHBDHM CCCCN1Cc2ccc([N-]S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2C1 ZINC000555139610 1073208941 /nfs/dbraw/zinc/20/89/41/1073208941.db2.gz GRLDRJFYDKDRFL-UHFFFAOYSA-N -1 3 405.476 3.520 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(OC(F)F)c2)c(F)cc1[N+](=O)[O-] ZINC000590590787 1073930949 /nfs/dbraw/zinc/93/09/49/1073930949.db2.gz BFEUTULSRZMXOS-JTQLQIEISA-N -1 3 404.366 3.683 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)c(F)cc1[N+](=O)[O-] ZINC000590589577 1073930996 /nfs/dbraw/zinc/93/09/96/1073930996.db2.gz KSYZMFDBMOJVTA-ZDUSSCGKSA-N -1 3 400.428 3.697 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)F)cc2)c(F)cc1[N+](=O)[O-] ZINC000590589690 1073931018 /nfs/dbraw/zinc/93/10/18/1073931018.db2.gz YPWWNDJVLOGXCV-JTQLQIEISA-N -1 3 404.366 3.683 20 5 HHBDHM Cc1ccc(-c2nc([N-]C(=O)c3cccc([N+](=O)[O-])c3Br)n[nH]2)cc1 ZINC000760786635 1073972964 /nfs/dbraw/zinc/97/29/64/1073972964.db2.gz CXOYRRMGYVYXMF-UHFFFAOYSA-N -1 3 402.208 3.703 20 5 HHBDHM COc1ccc(OCCN2CCC(c3ccccc3C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000615165487 1074079828 /nfs/dbraw/zinc/07/98/28/1074079828.db2.gz AWNTXMAFWXCQIR-UHFFFAOYSA-N -1 3 400.431 3.560 20 5 HHBDHM O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000591888063 1074612273 /nfs/dbraw/zinc/61/22/73/1074612273.db2.gz IKNRIDJSXPMXPB-UHFFFAOYSA-N -1 3 423.863 3.745 20 5 HHBDHM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2[N+](=O)[O-])C1 ZINC000602240877 1075722630 /nfs/dbraw/zinc/72/26/30/1075722630.db2.gz BUWLOHKXHXVUFR-OKILXGFUSA-N -1 3 421.461 3.510 20 5 HHBDHM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2[N+](=O)[O-])C1 ZINC000602240877 1075722640 /nfs/dbraw/zinc/72/26/40/1075722640.db2.gz BUWLOHKXHXVUFR-OKILXGFUSA-N -1 3 421.461 3.510 20 5 HHBDHM COCc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000301448116 970933014 /nfs/dbraw/zinc/93/30/14/970933014.db2.gz RETYNFAGLAZCLH-UHFFFAOYSA-N -1 3 419.865 3.955 20 5 HHBDHM CC[C@@](C)(CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301561602 970979839 /nfs/dbraw/zinc/97/98/39/970979839.db2.gz UYSMOVGMGBKKKR-IBGZPJMESA-N -1 3 407.492 3.585 20 5 HHBDHM Cc1ccc(CCNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])cn1 ZINC000301560485 970980087 /nfs/dbraw/zinc/98/00/87/970980087.db2.gz IRJHPHMVHBRHRA-UHFFFAOYSA-N -1 3 412.471 3.754 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@]3(C)CCCO3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301582279 970989378 /nfs/dbraw/zinc/98/93/78/970989378.db2.gz UGEABJAWIVWJFC-HXUWFJFHSA-N -1 3 419.503 3.993 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H]3CC[C@H](O)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000302706668 971286155 /nfs/dbraw/zinc/28/61/55/971286155.db2.gz WDQTUTVGBOQUPO-HOTGVXAUSA-N -1 3 419.503 3.585 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@]3(C)CCO[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000542209180 1013154809 /nfs/dbraw/zinc/15/48/09/1013154809.db2.gz BKZDDMDMFLRQPP-MGPUTAFESA-N -1 3 419.503 3.992 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000028054866 965030323 /nfs/dbraw/zinc/03/03/23/965030323.db2.gz FHKSMHVKFMFVGH-SECBINFHSA-N -1 3 406.794 3.889 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000056127971 966225546 /nfs/dbraw/zinc/22/55/46/966225546.db2.gz ONYDYZQGHFYEDA-ZDUSSCGKSA-N -1 3 404.366 3.575 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056328298 966304075 /nfs/dbraw/zinc/30/40/75/966304075.db2.gz BGWMAYYVMXBRLW-UHFFFAOYSA-N -1 3 418.837 3.836 20 5 HHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)n1 ZINC000064343053 967148797 /nfs/dbraw/zinc/14/87/97/967148797.db2.gz BNPRDPQTGBRCJK-UHFFFAOYSA-N -1 3 419.441 3.506 20 5 HHBDHM CC(=O)NCCCc1ccc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 ZINC000216817682 970081821 /nfs/dbraw/zinc/08/18/21/970081821.db2.gz VDEQYPMZFIZMKH-UHFFFAOYSA-N -1 3 414.443 3.632 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2c2ccccc2)c(Cl)c1 ZINC000146245192 970284667 /nfs/dbraw/zinc/28/46/67/970284667.db2.gz GIYYDPPYQRATFS-KBXCAEBGSA-N -1 3 410.879 3.694 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000146298333 970285906 /nfs/dbraw/zinc/28/59/06/970285906.db2.gz VUNFEKXFUUYPKW-KDOFPFPSSA-N -1 3 410.879 3.694 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3)c(Br)s2)n1 ZINC000427937131 975357964 /nfs/dbraw/zinc/35/79/64/975357964.db2.gz WSDHSSSWUQOTMU-UHFFFAOYSA-N -1 3 422.264 3.950 20 5 HHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)c2)n1 ZINC000430403680 977525271 /nfs/dbraw/zinc/52/52/71/977525271.db2.gz VDUYXMVQZCSGMF-UHFFFAOYSA-N -1 3 408.414 3.646 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000433441386 979308387 /nfs/dbraw/zinc/30/83/87/979308387.db2.gz FUFNPGIBAUJTLG-GXTWGEPZSA-N -1 3 404.341 3.587 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436160219 981227106 /nfs/dbraw/zinc/22/71/06/981227106.db2.gz KIFXGNOTIVTNRF-UHFFFAOYSA-N -1 3 400.840 3.845 20 5 HHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)n1 ZINC000436312599 981292409 /nfs/dbraw/zinc/29/24/09/981292409.db2.gz AJKPVIGIIBGFPY-UHFFFAOYSA-N -1 3 422.444 3.992 20 5 HHBDHM O=C(c1ccc([O-])cc1)N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000436694684 981517204 /nfs/dbraw/zinc/51/72/04/981517204.db2.gz HZCXPIFVJWWCTN-UHFFFAOYSA-N -1 3 407.426 3.518 20 5 HHBDHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436994113 981674058 /nfs/dbraw/zinc/67/40/58/981674058.db2.gz AWOQPRUOTPIGSQ-GOSISDBHSA-N -1 3 421.457 3.505 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000437306944 981958058 /nfs/dbraw/zinc/95/80/58/981958058.db2.gz QCBXLIVRXKRLAU-ZJUUUORDSA-N -1 3 400.806 3.895 20 5 HHBDHM Cc1c(Br)cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000438797411 983076613 /nfs/dbraw/zinc/07/66/13/983076613.db2.gz PBNYPWJFBKSFHU-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000439878992 983566729 /nfs/dbraw/zinc/56/67/29/983566729.db2.gz FDWKLHHBQKGLAT-UHFFFAOYSA-N -1 3 410.224 3.783 20 5 HHBDHM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440939431 983990533 /nfs/dbraw/zinc/99/05/33/983990533.db2.gz CTGURKNXWHQJRP-UHFFFAOYSA-N -1 3 409.427 3.802 20 5 HHBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)cc(F)c2F)cc1OC ZINC000441595510 984345220 /nfs/dbraw/zinc/34/52/20/984345220.db2.gz GMOPJHPERZWGFI-UHFFFAOYSA-N -1 3 416.764 3.813 20 5 HHBDHM CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000462295341 985282244 /nfs/dbraw/zinc/28/22/44/985282244.db2.gz KILNACXVETYXNL-HNNXBMFYSA-N -1 3 403.913 3.925 20 5 HHBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000462682978 985621988 /nfs/dbraw/zinc/62/19/88/985621988.db2.gz SHKQYXWLPKPFBU-CQSZACIVSA-N -1 3 405.259 3.568 20 5 HHBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000462682977 985622308 /nfs/dbraw/zinc/62/23/08/985622308.db2.gz SHKQYXWLPKPFBU-AWEZNQCLSA-N -1 3 405.259 3.568 20 5 HHBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000462771597 985707789 /nfs/dbraw/zinc/70/77/89/985707789.db2.gz GFDLVZCJIJQGEQ-AWEZNQCLSA-N -1 3 407.264 3.948 20 5 HHBDHM Cc1ccc(-c2csc3[n-]c(Cn4ccc(=O)c([N+](=O)[O-])c4)nc(=O)c23)s1 ZINC000468093308 985751902 /nfs/dbraw/zinc/75/19/02/985751902.db2.gz FSXFPILNMQWHPC-UHFFFAOYSA-N -1 3 400.441 3.552 20 5 HHBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443903401 986101653 /nfs/dbraw/zinc/10/16/53/986101653.db2.gz DDDFNBVXTXTXQV-UHFFFAOYSA-N -1 3 413.377 3.833 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1C ZINC000443970068 986177498 /nfs/dbraw/zinc/17/74/98/986177498.db2.gz IAJDOHVIPSLEFP-AWEZNQCLSA-N -1 3 418.393 3.884 20 5 HHBDHM O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444856863 987013762 /nfs/dbraw/zinc/01/37/62/987013762.db2.gz JVTWLORELREADO-UHFFFAOYSA-N -1 3 423.863 3.745 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c2ncccc12 ZINC000464218672 988335242 /nfs/dbraw/zinc/33/52/42/988335242.db2.gz ZEMSFDDPLKOGAA-YPMHNXCESA-N -1 3 417.409 3.790 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)c1ncc(-c2ccccc2)o1 ZINC000464419189 988590879 /nfs/dbraw/zinc/59/08/79/988590879.db2.gz MMZJVUAXUISAAN-CYBMUJFWSA-N -1 3 424.438 3.838 20 5 HHBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000481927267 994799675 /nfs/dbraw/zinc/79/96/75/994799675.db2.gz XYCUEHSABNPCEE-UHFFFAOYSA-N -1 3 423.376 3.813 20 5 HHBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000473895819 994851335 /nfs/dbraw/zinc/85/13/35/994851335.db2.gz KRZGKJAKPSTGNX-UHFFFAOYSA-N -1 3 416.397 3.743 20 5 HHBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000473895819 994851341 /nfs/dbraw/zinc/85/13/41/994851341.db2.gz KRZGKJAKPSTGNX-UHFFFAOYSA-N -1 3 416.397 3.743 20 5 HHBDHM COc1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000484638364 996972814 /nfs/dbraw/zinc/97/28/14/996972814.db2.gz AEYOVLMBUBGQMW-UHFFFAOYSA-N -1 3 409.427 3.730 20 5 HHBDHM CSc1cccc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1[N+](=O)[O-] ZINC000486417272 998757137 /nfs/dbraw/zinc/75/71/37/998757137.db2.gz HGVCGDGMJLWLOL-UHFFFAOYSA-N -1 3 403.851 3.862 20 5 HHBDHM CCC[C@@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000488142712 999391711 /nfs/dbraw/zinc/39/17/11/999391711.db2.gz CARKEGKAXTXREO-OAHLLOKOSA-N -1 3 407.492 3.585 20 5 HHBDHM Cc1ccc([C@H]([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480569058 999828820 /nfs/dbraw/zinc/82/88/20/999828820.db2.gz UJHGSOVKOAYKRU-KRWDZBQOSA-N -1 3 403.485 3.965 20 5 HHBDHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480608042 999839564 /nfs/dbraw/zinc/83/95/64/999839564.db2.gz FHUYPWXPWBLEGV-HNNXBMFYSA-N -1 3 412.895 3.564 20 5 HHBDHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000497950251 1001576774 /nfs/dbraw/zinc/57/67/74/1001576774.db2.gz MRMPJMYLDHGGIN-HXUWFJFHSA-N -1 3 411.483 3.983 20 5 HHBDHM Cc1cccc([C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c2ccccn2)c1 ZINC000497952845 1001577467 /nfs/dbraw/zinc/57/74/67/1001577467.db2.gz UEZKQSPBZPHMGK-NRFANRHFSA-N -1 3 411.483 3.983 20 5 HHBDHM CC(C)(C)c1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000497993364 1001594923 /nfs/dbraw/zinc/59/49/23/1001594923.db2.gz NBDCZPMFPSWDOW-UHFFFAOYSA-N -1 3 403.913 3.523 20 5 HHBDHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498301715 1001766734 /nfs/dbraw/zinc/76/67/34/1001766734.db2.gz ADNVQCVEJIVDJD-UHFFFAOYSA-N -1 3 409.402 3.977 20 5 HHBDHM CN1CC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507092234 1001802678 /nfs/dbraw/zinc/80/26/78/1001802678.db2.gz ZYLHFXMLXNLPAZ-KPZWWZAWSA-N -1 3 407.829 3.516 20 5 HHBDHM O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1)c1ccc(Cl)cc1 ZINC000507643860 1002244628 /nfs/dbraw/zinc/24/46/28/1002244628.db2.gz JFFLYOVZRATWEV-UHFFFAOYSA-N -1 3 412.789 3.853 20 5 HHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508086390 1002607787 /nfs/dbraw/zinc/60/77/87/1002607787.db2.gz CSDFMRNOFXEHKR-UHFFFAOYSA-N -1 3 420.672 3.823 20 5 HHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C(=O)c2ccccc2)CCCC3)n1 ZINC000502790953 1005218588 /nfs/dbraw/zinc/21/85/88/1005218588.db2.gz FCXXFLZLDTYXSX-UHFFFAOYSA-N -1 3 410.455 3.752 20 5 HHBDHM O=C(Nc1cc(Br)ccc1[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000531155312 1006020794 /nfs/dbraw/zinc/02/07/94/1006020794.db2.gz OWDCHISWQZLONY-UHFFFAOYSA-N -1 3 420.263 3.918 20 5 HHBDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000516343712 1007029891 /nfs/dbraw/zinc/02/98/91/1007029891.db2.gz RZXVANBXPIAHTM-OAHLLOKOSA-N -1 3 417.940 3.671 20 5 HHBDHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000533006769 1007372123 /nfs/dbraw/zinc/37/21/23/1007372123.db2.gz VWOGFEMJIWWVFD-CABZTGNLSA-N -1 3 415.265 3.552 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000539221584 1007514882 /nfs/dbraw/zinc/51/48/82/1007514882.db2.gz ZRWXBMVGUZWCDW-XJKSGUPXSA-N -1 3 417.270 3.710 20 5 HHBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2cccc(Br)c2)s1 ZINC000518923200 1008474405 /nfs/dbraw/zinc/47/44/05/1008474405.db2.gz JRPQDFHPFDGNBK-UHFFFAOYSA-N -1 3 420.248 3.832 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2-c2ccccc2)c(F)c1 ZINC000519065520 1008515753 /nfs/dbraw/zinc/51/57/53/1008515753.db2.gz QOGBUGZNBXOQFS-UHFFFAOYSA-N -1 3 416.430 3.758 20 5 HHBDHM O=[N+]([O-])c1ccccc1OC[C@@H](O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000543119896 1008692639 /nfs/dbraw/zinc/69/26/39/1008692639.db2.gz CTBMSUWEVOJQSD-LLVKDONJSA-N -1 3 422.463 3.861 20 5 HHBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000546186366 1009216138 /nfs/dbraw/zinc/21/61/38/1009216138.db2.gz XEVJVLFBFGAVIJ-QMMMGPOBSA-N -1 3 419.219 3.675 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCC[C@@H](C)CO)c([N+](=O)[O-])c2)c(C)c1 ZINC000536136320 1011258975 /nfs/dbraw/zinc/25/89/75/1011258975.db2.gz NMHJKDCPTXYWFO-OAHLLOKOSA-N -1 3 421.519 3.833 20 5 HHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cc(Br)cs3)cs2)n1 ZINC000536813218 1012038126 /nfs/dbraw/zinc/03/81/26/1012038126.db2.gz AJAGDRYSZIYSOT-UHFFFAOYSA-N -1 3 414.266 3.528 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](C)[C@@H]3CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000541921335 1012781722 /nfs/dbraw/zinc/78/17/22/1012781722.db2.gz DQHOJZGWFGCAJX-HZPDHXFCSA-N -1 3 419.503 3.849 20 5 HHBDHM Cc1c(Br)cc(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000614856599 1071775903 /nfs/dbraw/zinc/77/59/03/1071775903.db2.gz GBMGTVGYCGLYGS-UHFFFAOYSA-N -1 3 419.219 3.675 20 5 HHBDHM CC[C@H](C)[C@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000488217056 1072131861 /nfs/dbraw/zinc/13/18/61/1072131861.db2.gz JXAMEJHTPOZILJ-VBKZILBWSA-N -1 3 421.519 3.831 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c(F)cc1[N+](=O)[O-] ZINC000590589574 1073931093 /nfs/dbraw/zinc/93/10/93/1073931093.db2.gz KSYZMFDBMOJVTA-CYBMUJFWSA-N -1 3 400.428 3.697 20 5 HHBDHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])oc21 ZINC000591587016 1074429068 /nfs/dbraw/zinc/42/90/68/1074429068.db2.gz KKUTYRDGYUPFFM-GFCCVEGCSA-N -1 3 420.443 3.788 20 5 HHBDHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])oc21 ZINC000591587023 1074429074 /nfs/dbraw/zinc/42/90/74/1074429074.db2.gz KKUTYRDGYUPFFM-LBPRGKRZSA-N -1 3 420.443 3.788 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301192597 970798887 /nfs/dbraw/zinc/79/88/87/970798887.db2.gz XDFJUCRUFWILRB-OAHLLOKOSA-N -1 3 405.476 3.603 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H]3CCC[C@@H]3O)c([N+](=O)[O-])c2)c(C)c1 ZINC000301355397 970884960 /nfs/dbraw/zinc/88/49/60/970884960.db2.gz LTGQCAORIQHZTJ-QRWLVFNGSA-N -1 3 419.503 3.585 20 5 HHBDHM COC[C@H]1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301540367 970972620 /nfs/dbraw/zinc/97/26/20/970972620.db2.gz NTXKOHYGQQFTJR-MRXNPFEDSA-N -1 3 419.503 3.628 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301728750 971043934 /nfs/dbraw/zinc/04/39/34/971043934.db2.gz CAUTUUCHJLURNZ-UHFFFAOYSA-N -1 3 411.245 3.857 20 5 HHBDHM Nc1c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)cc(F)cc1[N+](=O)[O-] ZINC000056080773 966206270 /nfs/dbraw/zinc/20/62/70/966206270.db2.gz RCDFTNOFUKUNCN-UHFFFAOYSA-N -1 3 405.436 3.712 20 5 HHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c2)n1 ZINC000046065266 967650270 /nfs/dbraw/zinc/65/02/70/967650270.db2.gz DKTYAQHNKSQLFW-UHFFFAOYSA-N -1 3 419.441 3.734 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)c(C)c1 ZINC000046230947 967703777 /nfs/dbraw/zinc/70/37/77/967703777.db2.gz ZPXHBIHJXORILU-OAHLLOKOSA-N -1 3 405.476 3.603 20 5 HHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000065857423 968683992 /nfs/dbraw/zinc/68/39/92/968683992.db2.gz MYLBSLPMGBHMAX-QGZVFWFLSA-N -1 3 416.459 3.686 20 5 HHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1C ZINC000072035786 968948018 /nfs/dbraw/zinc/94/80/18/968948018.db2.gz VZYACTHTEOEFCE-QGZVFWFLSA-N -1 3 416.459 3.740 20 5 HHBDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C ZINC000229927167 970133318 /nfs/dbraw/zinc/13/33/18/970133318.db2.gz PFRSNRNCOMUHME-YRNVUSSQSA-N -1 3 405.819 3.725 20 5 HHBDHM O=C([N-]c1nnc(C2CCOCC2)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000554636239 1013996272 /nfs/dbraw/zinc/99/62/72/1013996272.db2.gz SERIHBKDXAJCRE-UHFFFAOYSA-N -1 3 417.472 3.716 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(Br)cc1 ZINC000324005787 972718082 /nfs/dbraw/zinc/71/80/82/972718082.db2.gz OEOFURMSSLZDTC-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1csc(-c2ccccc2)n1 ZINC000426729314 974620137 /nfs/dbraw/zinc/62/01/37/974620137.db2.gz BUDGUMOZLHUPGH-IBGZPJMESA-N -1 3 422.466 3.985 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(OC(C)C)cc3)cs2)n1 ZINC000427440616 975119417 /nfs/dbraw/zinc/11/94/17/975119417.db2.gz DJXSISCANOCKDA-UHFFFAOYSA-N -1 3 401.448 3.974 20 5 HHBDHM CCOC(=O)c1nnc(-c2cccc(CNc3ccc(Cl)cc3[N+](=O)[O-])c2)[n-]1 ZINC000432930186 979014630 /nfs/dbraw/zinc/01/46/30/979014630.db2.gz WBMBBOVLPUWPMJ-UHFFFAOYSA-N -1 3 401.810 3.822 20 5 HHBDHM CCOC(=O)c1nc(-c2cccc(CNc3ccc(Cl)cc3[N+](=O)[O-])c2)n[n-]1 ZINC000432930186 979014634 /nfs/dbraw/zinc/01/46/34/979014634.db2.gz WBMBBOVLPUWPMJ-UHFFFAOYSA-N -1 3 401.810 3.822 20 5 HHBDHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000436699011 981520108 /nfs/dbraw/zinc/52/01/08/981520108.db2.gz RYLBXKRWZSENIP-UHFFFAOYSA-N -1 3 407.426 3.518 20 5 HHBDHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436871962 981598118 /nfs/dbraw/zinc/59/81/18/981598118.db2.gz VKIAAVCYGFEBJN-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000437309003 981961064 /nfs/dbraw/zinc/96/10/64/981961064.db2.gz UZDSPKLGNKJTJH-UWVGGRQHSA-N -1 3 400.806 3.895 20 5 HHBDHM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2N1Cc1ccccc1 ZINC000438593925 982926355 /nfs/dbraw/zinc/92/63/55/982926355.db2.gz WZYVCIQTLATEDX-OAHLLOKOSA-N -1 3 404.426 3.751 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2F)n1)c1csc([N+](=O)[O-])c1 ZINC000439246830 983330007 /nfs/dbraw/zinc/33/00/07/983330007.db2.gz MTMABQPEKRTHAE-UHFFFAOYSA-N -1 3 412.200 3.595 20 5 HHBDHM CSc1ccc(-c2nsc([N-]C(=O)c3cc(F)cc([N+](=O)[O-])c3N)n2)cc1 ZINC000440476834 983770524 /nfs/dbraw/zinc/77/05/24/983770524.db2.gz WPEFZPICOWOINF-UHFFFAOYSA-N -1 3 405.436 3.809 20 5 HHBDHM Cc1nc(C)c(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)c(=O)[n-]1 ZINC000440602742 983811252 /nfs/dbraw/zinc/81/12/52/983811252.db2.gz ZKSSYTRSCWIMFF-UHFFFAOYSA-N -1 3 406.442 3.873 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Br)s1 ZINC000442739682 985196219 /nfs/dbraw/zinc/19/62/19/985196219.db2.gz QSXNCBZOVAJKEL-SSDOTTSWSA-N -1 3 409.258 3.597 20 5 HHBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000462714368 985660827 /nfs/dbraw/zinc/66/08/27/985660827.db2.gz FGELFQSGWQFUCN-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC[C@H](O)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000462875683 985800931 /nfs/dbraw/zinc/80/09/31/985800931.db2.gz SXUKFBWCTWWGNQ-FQEVSTJZSA-N -1 3 421.519 3.831 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000443957418 986165278 /nfs/dbraw/zinc/16/52/78/986165278.db2.gz JJJYBQDLXBJFDS-AWEZNQCLSA-N -1 3 418.393 3.884 20 5 HHBDHM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)cc1 ZINC000468887056 986593919 /nfs/dbraw/zinc/59/39/19/986593919.db2.gz GXMDMJZAIOJAPN-GFCCVEGCSA-N -1 3 424.500 3.533 20 5 HHBDHM CCO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000444994771 987123832 /nfs/dbraw/zinc/12/38/32/987123832.db2.gz FAADRYHDQSEHTN-OAHLLOKOSA-N -1 3 418.393 3.670 20 5 HHBDHM COc1cccc(Cn2ccc3ccc(NC(=O)c4c[n-]c(=O)c([N+](=O)[O-])c4)cc32)c1 ZINC000445133530 987232242 /nfs/dbraw/zinc/23/22/42/987232242.db2.gz HUWYVHIPTXVBCG-UHFFFAOYSA-N -1 3 418.409 3.959 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(-c3cccnc3)c2)c(Cl)c1 ZINC000464187054 988308453 /nfs/dbraw/zinc/30/84/53/988308453.db2.gz QORIPHYYDVKFRH-UHFFFAOYSA-N -1 3 403.847 3.789 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(-c2cccnc2)c1 ZINC000464199190 988318871 /nfs/dbraw/zinc/31/88/71/988318871.db2.gz MYNMBEQVLMKVIH-UHFFFAOYSA-N -1 3 403.847 3.789 20 5 HHBDHM Cc1c(Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])cnn1C ZINC000465057759 989382854 /nfs/dbraw/zinc/38/28/54/989382854.db2.gz VHFKHXOZJAVINL-UHFFFAOYSA-N -1 3 415.475 3.798 20 5 HHBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471479163 989675731 /nfs/dbraw/zinc/67/57/31/989675731.db2.gz DLCVMOLYQFARMK-UHFFFAOYSA-N -1 3 423.647 3.628 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)c2ccccn2)c(F)c1 ZINC000471877350 990050004 /nfs/dbraw/zinc/05/00/04/990050004.db2.gz MVVSRQGVEMTJLN-GOSISDBHSA-N -1 3 421.837 3.850 20 5 HHBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000467403752 992711453 /nfs/dbraw/zinc/71/14/53/992711453.db2.gz IVJXJEZNJQLLAK-QMMMGPOBSA-N -1 3 416.431 3.749 20 5 HHBDHM CCc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000481864112 994723676 /nfs/dbraw/zinc/72/36/76/994723676.db2.gz YXDGKZFNKVNOMX-UHFFFAOYSA-N -1 3 421.335 3.715 20 5 HHBDHM Cc1ccc([C@@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1[N+](=O)[O-] ZINC000482594699 995595926 /nfs/dbraw/zinc/59/59/26/995595926.db2.gz SZLCZUOEDUBENH-LLVKDONJSA-N -1 3 408.252 3.932 20 5 HHBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)nc21 ZINC000484416642 996755530 /nfs/dbraw/zinc/75/55/30/996755530.db2.gz PUPPXPLKJXQIIZ-UHFFFAOYSA-N -1 3 408.292 3.529 20 5 HHBDHM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484529220 996860568 /nfs/dbraw/zinc/86/05/68/996860568.db2.gz KZNUPOHYVNCGNK-UHFFFAOYSA-N -1 3 410.352 3.957 20 5 HHBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])c1F ZINC000485174471 997555447 /nfs/dbraw/zinc/55/54/47/997555447.db2.gz GUPINOUYZIEXNH-UHFFFAOYSA-N -1 3 415.146 3.674 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCCC2)c(Cl)c1 ZINC000479910051 999645344 /nfs/dbraw/zinc/64/53/44/999645344.db2.gz CHCIFECZRLTGCT-UHFFFAOYSA-N -1 3 409.895 3.717 20 5 HHBDHM Cc1ccc(-c2csc3[n-]c(Cn4cc([N+](=O)[O-])cc(C)c4=O)nc(=O)c23)s1 ZINC000489089783 999696056 /nfs/dbraw/zinc/69/60/56/999696056.db2.gz SKOFMNZOTRUAPH-UHFFFAOYSA-N -1 3 414.468 3.860 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000490372034 999946603 /nfs/dbraw/zinc/94/66/03/999946603.db2.gz QRBNUXWZQNHIHP-UHFFFAOYSA-N -1 3 424.417 3.819 20 5 HHBDHM O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000497464664 1001380430 /nfs/dbraw/zinc/38/04/30/1001380430.db2.gz HFOQPJJPYCCACL-UHFFFAOYSA-N -1 3 403.866 3.596 20 5 HHBDHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000499285805 1002697352 /nfs/dbraw/zinc/69/73/52/1002697352.db2.gz OOSVXOCRNRWYPN-UHFFFAOYSA-N -1 3 424.450 3.674 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000533159836 1007497924 /nfs/dbraw/zinc/49/79/24/1007497924.db2.gz AGUXDKOGWZFHBK-UHFFFAOYSA-N -1 3 421.812 3.584 20 5 HHBDHM COc1cc(C(=O)Nc2cccc([O-])c2F)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000535658528 1007673422 /nfs/dbraw/zinc/67/34/22/1007673422.db2.gz NZKLPCQRYHHVER-UHFFFAOYSA-N -1 3 419.390 3.736 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)c(C(F)(F)F)c1 ZINC000533465520 1007776167 /nfs/dbraw/zinc/77/61/67/1007776167.db2.gz YAJNEGRPALTAPY-AWEZNQCLSA-N -1 3 404.341 3.719 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000533606005 1007904786 /nfs/dbraw/zinc/90/47/86/1007904786.db2.gz DNDPURGXBBJCCT-UHFFFAOYSA-N -1 3 419.865 3.813 20 5 HHBDHM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2[O-])ccc1[N+](=O)[O-] ZINC000533614835 1007916907 /nfs/dbraw/zinc/91/69/07/1007916907.db2.gz GWOLCEWIHJUOMW-MRXNPFEDSA-N -1 3 403.822 3.506 20 5 HHBDHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000533884251 1008179394 /nfs/dbraw/zinc/17/93/94/1008179394.db2.gz ALQBULJEPURJKB-NSHDSACASA-N -1 3 416.377 3.553 20 5 HHBDHM COc1ccccc1Oc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000520387589 1009525584 /nfs/dbraw/zinc/52/55/84/1009525584.db2.gz XEOUGTDZYMCHGX-UHFFFAOYSA-N -1 3 414.439 3.874 20 5 HHBDHM COc1ccc(COCc2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)cc1 ZINC000520759373 1009829495 /nfs/dbraw/zinc/82/94/95/1009829495.db2.gz VGNLXNCCARVCGL-UHFFFAOYSA-N -1 3 409.398 3.673 20 5 HHBDHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1F ZINC000546964407 1009920444 /nfs/dbraw/zinc/92/04/44/1009920444.db2.gz LGOWGBAQPVULGC-UHFFFAOYSA-N -1 3 420.422 3.528 20 5 HHBDHM Cc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000544962404 1010522785 /nfs/dbraw/zinc/52/27/85/1010522785.db2.gz WHRLGADQPJQECZ-NSHDSACASA-N -1 3 422.850 3.646 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000541825574 1012712478 /nfs/dbraw/zinc/71/24/78/1012712478.db2.gz KFAUQVMIMYKEML-CQSZACIVSA-N -1 3 424.784 3.839 20 5 HHBDHM CC[C@@H](C)[C@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000488217055 1072131895 /nfs/dbraw/zinc/13/18/95/1072131895.db2.gz JXAMEJHTPOZILJ-JLTOFOAXSA-N -1 3 421.519 3.831 20 5 HHBDHM CC[C@H](C)[C@@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000488217058 1072131921 /nfs/dbraw/zinc/13/19/21/1072131921.db2.gz JXAMEJHTPOZILJ-XOBRGWDASA-N -1 3 421.519 3.831 20 5 HHBDHM CC(=O)N(Cc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1)C(C)C ZINC000302138155 971185013 /nfs/dbraw/zinc/18/50/13/971185013.db2.gz DSQOHGBSZVFJHU-UHFFFAOYSA-N -1 3 411.505 3.560 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H]3CC[C@@H](O)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000302706669 971285856 /nfs/dbraw/zinc/28/58/56/971285856.db2.gz WDQTUTVGBOQUPO-HZPDHXFCSA-N -1 3 419.503 3.585 20 5 HHBDHM CO[C@@H](C)[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000302731742 971294402 /nfs/dbraw/zinc/29/44/02/971294402.db2.gz WOGPKQZFZJAOQM-GJZGRUSLSA-N -1 3 407.492 3.848 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2csc(-c3ccc(F)cc3)n2)cc([N+](=O)[O-])c1 ZINC000303774960 972020671 /nfs/dbraw/zinc/02/06/71/972020671.db2.gz NLPAKKWSQIZEMI-UHFFFAOYSA-N -1 3 401.375 3.896 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1C(F)(F)F ZINC000057020084 965252060 /nfs/dbraw/zinc/25/20/60/965252060.db2.gz WKQPXIUZHMQMDV-JTQLQIEISA-N -1 3 404.366 3.662 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccccc1C(F)(F)F ZINC000057020147 965253244 /nfs/dbraw/zinc/25/32/44/965253244.db2.gz ZZGXGYFRWNBFFN-SNVBAGLBSA-N -1 3 404.366 3.662 20 5 HHBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000030435827 965696763 /nfs/dbraw/zinc/69/67/63/965696763.db2.gz MSDDXKSMSSQBHL-HNNXBMFYSA-N -1 3 417.940 3.671 20 5 HHBDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000030435832 965697036 /nfs/dbraw/zinc/69/70/36/965697036.db2.gz MSDDXKSMSSQBHL-OAHLLOKOSA-N -1 3 417.940 3.671 20 5 HHBDHM CSc1ccc(Cl)cc1[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000064847899 967310180 /nfs/dbraw/zinc/31/01/80/967310180.db2.gz IKSWHHXGCBAKJU-UHFFFAOYSA-N -1 3 400.865 3.626 20 5 HHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000046065370 967649995 /nfs/dbraw/zinc/64/99/95/967649995.db2.gz WPRAQUAOSVGDNU-UHFFFAOYSA-N -1 3 410.455 3.638 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000071991219 968921758 /nfs/dbraw/zinc/92/17/58/968921758.db2.gz DNTZAMUVPWRLPN-SECBINFHSA-N -1 3 406.794 3.889 20 5 HHBDHM O=C(Nc1ccccc1)c1cccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000139435828 970032120 /nfs/dbraw/zinc/03/21/20/970032120.db2.gz YAQFNYVLTSNDJH-UHFFFAOYSA-N -1 3 402.366 3.943 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccnc(N2CCCCCC2)c1 ZINC000216991162 970082107 /nfs/dbraw/zinc/08/21/07/970082107.db2.gz MQOCCUSAXJSLGD-UHFFFAOYSA-N -1 3 424.910 3.502 20 5 HHBDHM COc1cc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-] ZINC000426303078 974383437 /nfs/dbraw/zinc/38/34/37/974383437.db2.gz KXSUSOOGZHJXJR-UHFFFAOYSA-N -1 3 404.835 3.951 20 5 HHBDHM O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1coc(-c2ccccc2)n1 ZINC000426735661 974624278 /nfs/dbraw/zinc/62/42/78/974624278.db2.gz GJDFQTBSJBKOJH-LJQANCHMSA-N -1 3 406.398 3.517 20 5 HHBDHM O=C(NCc1ccc([O-])c(Br)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426832391 974697006 /nfs/dbraw/zinc/69/70/06/974697006.db2.gz JGNVEQFLOHXULZ-UHFFFAOYSA-N -1 3 420.263 3.937 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)n1 ZINC000427278878 975021371 /nfs/dbraw/zinc/02/13/71/975021371.db2.gz DFULVBGETGLJQH-NSHDSACASA-N -1 3 420.491 3.815 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2cc(Br)c(F)cc2F)cc([N+](=O)[O-])c1 ZINC000428736806 976019009 /nfs/dbraw/zinc/01/90/09/976019009.db2.gz IIFKYTFSPVBFTI-UHFFFAOYSA-N -1 3 415.146 3.674 20 5 HHBDHM CC(C)c1[nH]nc(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)c1[N+](=O)[O-] ZINC000434395112 980138897 /nfs/dbraw/zinc/13/88/97/980138897.db2.gz LSZAOEXYDXLEFP-UHFFFAOYSA-N -1 3 407.333 3.950 20 5 HHBDHM Cc1c(Br)cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000438804113 983080557 /nfs/dbraw/zinc/08/05/57/983080557.db2.gz GVUBXQYXOARDGW-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM COc1ccc(-c2ncc(C(=O)[N-]c3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)s2)cc1 ZINC000439192325 983301882 /nfs/dbraw/zinc/30/18/82/983301882.db2.gz WMVWKLQAXYGVPU-UHFFFAOYSA-N -1 3 422.426 3.764 20 5 HHBDHM CCN(c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000461887814 984911071 /nfs/dbraw/zinc/91/10/71/984911071.db2.gz ZURVDJIYTRVDHT-MRXNPFEDSA-N -1 3 419.503 3.628 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H](CCO)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000462114793 985083988 /nfs/dbraw/zinc/08/39/88/985083988.db2.gz YYFVHYMXPOJWNP-KRWDZBQOSA-N -1 3 421.519 3.831 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)ccc1[N+](=O)[O-] ZINC000442850561 985245839 /nfs/dbraw/zinc/24/58/39/985245839.db2.gz IQWZZYMRCWVNID-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM CC[C@@H](O)CCCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000462883581 985808227 /nfs/dbraw/zinc/80/82/27/985808227.db2.gz KLWPDRAZIDZDEL-MRXNPFEDSA-N -1 3 421.519 3.975 20 5 HHBDHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3ccccc3[N+](=O)[O-])[n-]c(=O)c21 ZINC000463249876 986218527 /nfs/dbraw/zinc/21/85/27/986218527.db2.gz JGKGVEXVDYZIOH-SNVBAGLBSA-N -1 3 400.416 3.587 20 5 HHBDHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000470624826 988639883 /nfs/dbraw/zinc/63/98/83/988639883.db2.gz ZFMITVVIFGUKFL-UHFFFAOYSA-N -1 3 422.781 3.887 20 5 HHBDHM Cc1sc(S(=O)(=O)[N-][C@H](Cc2ccc(C)cc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000467407304 992713166 /nfs/dbraw/zinc/71/31/66/992713166.db2.gz SUCGOPPQYVRPEO-QGZVFWFLSA-N -1 3 417.512 3.930 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)c(C(F)(F)F)c1 ZINC000480850795 993723964 /nfs/dbraw/zinc/72/39/64/993723964.db2.gz ZFYFIGGABXUZJE-AWEZNQCLSA-N -1 3 416.377 3.675 20 5 HHBDHM O=C(Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000472928373 993855814 /nfs/dbraw/zinc/85/58/14/993855814.db2.gz QLUUZYNMZDYVNQ-UHFFFAOYSA-N -1 3 411.324 3.769 20 5 HHBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1nccnc1C(=O)Nc1ccc(Cl)cc1 ZINC000473344179 994206293 /nfs/dbraw/zinc/20/62/93/994206293.db2.gz XTACMNCNXTVLHY-UHFFFAOYSA-N -1 3 415.768 3.682 20 5 HHBDHM Cc1ccccc1[C@@H]([C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)C ZINC000473933440 994906225 /nfs/dbraw/zinc/90/62/25/994906225.db2.gz QUHIEARJSVPAQV-SUMWQHHRSA-N -1 3 411.911 3.526 20 5 HHBDHM CCc1cc(Br)cc2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])nc21 ZINC000482258084 995236731 /nfs/dbraw/zinc/23/67/31/995236731.db2.gz FAGRTOGNVGNQOF-UHFFFAOYSA-N -1 3 410.253 3.515 20 5 HHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484104688 996572844 /nfs/dbraw/zinc/57/28/44/996572844.db2.gz KALGWKRVKWRYNA-UHFFFAOYSA-N -1 3 409.427 3.642 20 5 HHBDHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000485118904 997502731 /nfs/dbraw/zinc/50/27/31/997502731.db2.gz BRHBLJZVWQVDCG-UHFFFAOYSA-N -1 3 418.413 3.979 20 5 HHBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000485118904 997502745 /nfs/dbraw/zinc/50/27/45/997502745.db2.gz BRHBLJZVWQVDCG-UHFFFAOYSA-N -1 3 418.413 3.979 20 5 HHBDHM CCCCc1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C(=O)OCC)[n-]1 ZINC000485667267 998122405 /nfs/dbraw/zinc/12/24/05/998122405.db2.gz IBMJTAUVYRCEIE-UHFFFAOYSA-N -1 3 400.391 3.836 20 5 HHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000479371008 999408096 /nfs/dbraw/zinc/40/80/96/999408096.db2.gz AURYWIFMAINNBB-UHFFFAOYSA-N -1 3 410.423 3.798 20 5 HHBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000489196848 999720370 /nfs/dbraw/zinc/72/03/70/999720370.db2.gz PFECRNLCQBXOQB-UHFFFAOYSA-N -1 3 422.410 3.542 20 5 HHBDHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489795274 999839649 /nfs/dbraw/zinc/83/96/49/999839649.db2.gz ISAMEBVVRIHJJG-UHFFFAOYSA-N -1 3 418.818 3.672 20 5 HHBDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccn2)cc1 ZINC000480629460 999845268 /nfs/dbraw/zinc/84/52/68/999845268.db2.gz DNEJHTIJEGPGTA-IBGZPJMESA-N -1 3 401.419 3.505 20 5 HHBDHM Cn1c2ccccc2nc1[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000492450056 1000127602 /nfs/dbraw/zinc/12/76/02/1000127602.db2.gz YLURHNCZXBUMGN-FQEVSTJZSA-N -1 3 422.466 3.549 20 5 HHBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)cc1 ZINC000493412687 1000173047 /nfs/dbraw/zinc/17/30/47/1000173047.db2.gz NPYPIFFNGZAXEN-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000494098656 1000307257 /nfs/dbraw/zinc/30/72/57/1000307257.db2.gz BORBTELRWWAEPE-UHFFFAOYSA-N -1 3 412.471 3.737 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000507950997 1002484019 /nfs/dbraw/zinc/48/40/19/1002484019.db2.gz MHESWIBHPBRMMN-CYBMUJFWSA-N -1 3 422.356 3.715 20 5 HHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508084772 1002607201 /nfs/dbraw/zinc/60/72/01/1002607201.db2.gz NZFLUYFJQAMUSK-UHFFFAOYSA-N -1 3 406.645 3.515 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@](C)(F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000499682087 1003036115 /nfs/dbraw/zinc/03/61/15/1003036115.db2.gz BVLVKVLZTNKOLB-IBGZPJMESA-N -1 3 407.467 3.951 20 5 HHBDHM COc1cc(CNCc2cc(F)c(F)cc2Br)c([N+](=O)[O-])cc1[O-] ZINC000513006963 1004755860 /nfs/dbraw/zinc/75/58/60/1004755860.db2.gz HCFFNQDKBCZDNU-UHFFFAOYSA-N -1 3 403.179 3.640 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)c2ccccc2)c(Cl)c1 ZINC000513013767 1004759235 /nfs/dbraw/zinc/75/92/35/1004759235.db2.gz BDGURUXXABNHCY-DYVFJYSZSA-N -1 3 410.879 3.694 20 5 HHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C(=O)c2cccs2)CCCC3)n1 ZINC000502606432 1005137421 /nfs/dbraw/zinc/13/74/21/1005137421.db2.gz UATHOFKQEXHJBH-UHFFFAOYSA-N -1 3 416.484 3.813 20 5 HHBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000517476776 1007702516 /nfs/dbraw/zinc/70/25/16/1007702516.db2.gz RTUBTZBNFJFFBW-UHFFFAOYSA-N -1 3 411.155 3.575 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CCCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000539547289 1007859738 /nfs/dbraw/zinc/85/97/38/1007859738.db2.gz CTQMMDUYULTIMX-MRXNPFEDSA-N -1 3 419.503 3.993 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)ccc1[N+](=O)[O-] ZINC000533877859 1008175363 /nfs/dbraw/zinc/17/53/63/1008175363.db2.gz MERWEJGDEPGKAG-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000543690146 1009299079 /nfs/dbraw/zinc/29/90/79/1009299079.db2.gz XKWCJHFBFXHDKK-CJNGLKHVSA-N -1 3 414.842 3.586 20 5 HHBDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000520834310 1009893363 /nfs/dbraw/zinc/89/33/63/1009893363.db2.gz YXCIBOBNUDMZRS-HXUWFJFHSA-N -1 3 412.467 3.980 20 5 HHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1C ZINC000521105375 1010125609 /nfs/dbraw/zinc/12/56/09/1010125609.db2.gz MOTFOOMSIACSFT-UHFFFAOYSA-N -1 3 403.229 3.914 20 5 HHBDHM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000523567089 1012106616 /nfs/dbraw/zinc/10/66/16/1012106616.db2.gz PKAYCYSXRRQKRK-UHFFFAOYSA-N -1 3 419.322 3.720 20 5 HHBDHM Cc1cc(Br)sc1S(=O)(=O)[N-]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001211993487 1071855987 /nfs/dbraw/zinc/85/59/87/1071855987.db2.gz UAUQOCHJWSLXBQ-UHFFFAOYSA-N -1 3 419.322 3.941 20 5 HHBDHM CCCCc1nc2ccc([N-]S(=O)(=O)c3cc(F)c(OC)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000488233397 1072143246 /nfs/dbraw/zinc/14/32/46/1072143246.db2.gz LFZSCDDHDAJUHT-UHFFFAOYSA-N -1 3 422.438 3.762 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2cn(C)c3ccc(F)cc23)c(F)cc1[N+](=O)[O-] ZINC001212145463 1072548283 /nfs/dbraw/zinc/54/82/83/1072548283.db2.gz MIICQKKDAPZXAB-GFCCVEGCSA-N -1 3 423.441 3.583 20 5 HHBDHM COc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)ccc1[N+](=O)[O-] ZINC000479142221 1072763874 /nfs/dbraw/zinc/76/38/74/1072763874.db2.gz BHVFDMNUQNVBQU-UHFFFAOYSA-N -1 3 421.656 3.820 20 5 HHBDHM Cc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000575079170 1075471729 /nfs/dbraw/zinc/47/17/29/1075471729.db2.gz QEAAKQDZOMFTCI-QGZVFWFLSA-N -1 3 421.457 3.505 20 5 HHBDHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000303818339 972050702 /nfs/dbraw/zinc/05/07/02/972050702.db2.gz WXYDSVUPJNEGCC-MGPLVRAMSA-N -1 3 419.286 3.956 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)cc1 ZINC000020448612 963389329 /nfs/dbraw/zinc/38/93/29/963389329.db2.gz GHBYVIUSQJWMDQ-UHFFFAOYSA-N -1 3 401.400 3.549 20 5 HHBDHM CC[C@@H]1CN(c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])CCO1 ZINC000029584833 965422375 /nfs/dbraw/zinc/42/23/75/965422375.db2.gz JTLSYCGFWQXXMN-MRXNPFEDSA-N -1 3 419.503 3.628 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1csc(Br)c1 ZINC000030444908 965699367 /nfs/dbraw/zinc/69/93/67/965699367.db2.gz VESWNILZNUYUJE-UHFFFAOYSA-N -1 3 411.686 3.551 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)s2)c(Cl)c1 ZINC000056039863 966192410 /nfs/dbraw/zinc/19/24/10/966192410.db2.gz VCBAWKUPQJLYDS-UHFFFAOYSA-N -1 3 411.686 3.551 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000056127855 966225124 /nfs/dbraw/zinc/22/51/24/966225124.db2.gz SMTLYVPAZODBDL-CYBMUJFWSA-N -1 3 404.366 3.575 20 5 HHBDHM CSc1ccc(Cl)cc1[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000064848646 967310073 /nfs/dbraw/zinc/31/00/73/967310073.db2.gz PNHGVBWOMNGFEE-UHFFFAOYSA-N -1 3 400.865 3.626 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000047322853 968138253 /nfs/dbraw/zinc/13/82/53/968138253.db2.gz QSPBUSVMRNLTHN-UHFFFAOYSA-N -1 3 418.837 3.836 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccccn2)c(Cl)c1 ZINC000047543175 968229713 /nfs/dbraw/zinc/22/97/13/968229713.db2.gz ZETODWIHAZQCPS-SFHVURJKSA-N -1 3 403.847 3.711 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(Br)cs1 ZINC000070213293 968850907 /nfs/dbraw/zinc/85/09/07/968850907.db2.gz KWDGPWCVVDEYKG-UHFFFAOYSA-N -1 3 411.686 3.551 20 5 HHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)ccc1Cl ZINC000109022212 969451259 /nfs/dbraw/zinc/45/12/59/969451259.db2.gz LMCZFHTZBOPHQU-INIZCTEOSA-N -1 3 422.850 3.777 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCOCC3CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000261448759 970689479 /nfs/dbraw/zinc/68/94/79/970689479.db2.gz PVEIEAUOYSXBFT-UHFFFAOYSA-N -1 3 419.503 3.851 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000301116318 970756454 /nfs/dbraw/zinc/75/64/54/970756454.db2.gz XNBAEZRCTABLBH-UHFFFAOYSA-N -1 3 420.809 3.717 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)sc1Br ZINC000316556005 972650513 /nfs/dbraw/zinc/65/05/13/972650513.db2.gz JAJIRFRLCPVNEA-VIFPVBQESA-N -1 3 405.295 3.767 20 5 HHBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000387336802 972802462 /nfs/dbraw/zinc/80/24/62/972802462.db2.gz VEZXQOFFAUJEJQ-UHFFFAOYSA-N -1 3 405.657 3.953 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccsc1Br ZINC000388551745 972806868 /nfs/dbraw/zinc/80/68/68/972806868.db2.gz QUEWGWJROSJQQM-UHFFFAOYSA-N -1 3 411.686 3.551 20 5 HHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1 ZINC000409648858 973099024 /nfs/dbraw/zinc/09/90/24/973099024.db2.gz VSNDGZOQNJAXKQ-UHFFFAOYSA-N -1 3 418.331 3.925 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000432308320 978755444 /nfs/dbraw/zinc/75/54/44/978755444.db2.gz RNXPOBKRJOOHBX-AWEZNQCLSA-N -1 3 402.394 3.918 20 5 HHBDHM CCOC(=O)c1nnc(-c2cccc(CNc3ccc([N+](=O)[O-])c4cnccc34)c2)[n-]1 ZINC000432928077 979013941 /nfs/dbraw/zinc/01/39/41/979013941.db2.gz KWTHBNXEXIKJQU-UHFFFAOYSA-N -1 3 418.413 3.717 20 5 HHBDHM CCOC(=O)c1nc(-c2cccc(CNc3ccc([N+](=O)[O-])c4cnccc34)c2)n[n-]1 ZINC000432928077 979013946 /nfs/dbraw/zinc/01/39/46/979013946.db2.gz KWTHBNXEXIKJQU-UHFFFAOYSA-N -1 3 418.413 3.717 20 5 HHBDHM Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000436708229 981523386 /nfs/dbraw/zinc/52/33/86/981523386.db2.gz IRWRLPXXPGBQBS-UHFFFAOYSA-N -1 3 409.364 3.590 20 5 HHBDHM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000448542386 981870266 /nfs/dbraw/zinc/87/02/66/981870266.db2.gz JTYNZQNPUZWHDO-UHFFFAOYSA-N -1 3 406.167 4.404 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000437309006 981961251 /nfs/dbraw/zinc/96/12/51/981961251.db2.gz UZDSPKLGNKJTJH-ZJUUUORDSA-N -1 3 400.806 3.895 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380470 985363256 /nfs/dbraw/zinc/36/32/56/985363256.db2.gz LPNFFULTHSDQBZ-CQSZACIVSA-N -1 3 419.503 3.764 20 5 HHBDHM Cn1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443556939 985727849 /nfs/dbraw/zinc/72/78/49/985727849.db2.gz HEJSAQVDTQYPKF-UHFFFAOYSA-N -1 3 422.319 3.852 20 5 HHBDHM COC(=O)c1cc(C(=O)[N-]c2nnc(-c3cc(F)ccc3C)s2)cc([N+](=O)[O-])c1 ZINC000469895911 987531911 /nfs/dbraw/zinc/53/19/11/987531911.db2.gz FFBXMMSGDHDACU-UHFFFAOYSA-N -1 3 416.390 3.600 20 5 HHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000466480594 991772181 /nfs/dbraw/zinc/77/21/81/991772181.db2.gz GJVUDKQYPYXIHW-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000466876860 992198739 /nfs/dbraw/zinc/19/87/39/992198739.db2.gz JLXCKXLYGFDHLP-VIFPVBQESA-N -1 3 409.411 3.808 20 5 HHBDHM CCOc1cc([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)c([N+](=O)[O-])cc1OCC ZINC000481920850 994793083 /nfs/dbraw/zinc/79/30/83/994793083.db2.gz KGINELQLDSXZPY-UHFFFAOYSA-N -1 3 417.447 3.502 20 5 HHBDHM Cc1ccc(-c2csc3[n-]c(Cn4cc([N+](=O)[O-])c(C)cc4=O)nc(=O)c23)s1 ZINC000474398750 995370204 /nfs/dbraw/zinc/37/02/04/995370204.db2.gz WFYHKNHIEOKTFJ-UHFFFAOYSA-N -1 3 414.468 3.860 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cnc(Cc2ccccc2F)s1 ZINC000482963094 995884734 /nfs/dbraw/zinc/88/47/34/995884734.db2.gz RAPXFACHYAHSPL-UHFFFAOYSA-N -1 3 424.417 3.819 20 5 HHBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c1F ZINC000485163726 997545981 /nfs/dbraw/zinc/54/59/81/997545981.db2.gz ABRILMCYJOATQN-UHFFFAOYSA-N -1 3 412.370 3.642 20 5 HHBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3n2C(F)F)c1[N+](=O)[O-] ZINC000478146489 998786335 /nfs/dbraw/zinc/78/63/35/998786335.db2.gz WIMGXRWPPPYKQY-LBPRGKRZSA-N -1 3 424.429 3.996 20 5 HHBDHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487678091 999250751 /nfs/dbraw/zinc/25/07/51/999250751.db2.gz UNLIQRVTNHKAPA-UHFFFAOYSA-N -1 3 416.440 3.720 20 5 HHBDHM CC(C)(c1nnc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1)c1ccccc1 ZINC000489014159 999672052 /nfs/dbraw/zinc/67/20/52/999672052.db2.gz LWANKLOEKYDSAB-UHFFFAOYSA-N -1 3 412.427 3.753 20 5 HHBDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000489489830 999777237 /nfs/dbraw/zinc/77/72/37/999777237.db2.gz XUAUZDBJADQZHI-UHFFFAOYSA-N -1 3 403.504 3.917 20 5 HHBDHM O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000490583353 999980104 /nfs/dbraw/zinc/98/01/04/999980104.db2.gz JACVQLOBTTVONW-UHFFFAOYSA-N -1 3 401.325 3.805 20 5 HHBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000490711790 999995974 /nfs/dbraw/zinc/99/59/74/999995974.db2.gz PKGKPKOKWACAJQ-SECBINFHSA-N -1 3 422.356 3.801 20 5 HHBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000490711799 999995995 /nfs/dbraw/zinc/99/59/95/999995995.db2.gz PKGKPKOKWACAJQ-VIFPVBQESA-N -1 3 422.356 3.801 20 5 HHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000491720254 1000093121 /nfs/dbraw/zinc/09/31/21/1000093121.db2.gz MPQFQLYQTRFXRJ-UHFFFAOYSA-N -1 3 423.454 3.951 20 5 HHBDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CCCC2)n1 ZINC000497361551 1001310428 /nfs/dbraw/zinc/31/04/28/1001310428.db2.gz FSDQUZHLTZWVRR-UHFFFAOYSA-N -1 3 401.897 3.761 20 5 HHBDHM O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507266410 1001950621 /nfs/dbraw/zinc/95/06/21/1001950621.db2.gz YZXXLRNWIKSQPN-UHFFFAOYSA-N -1 3 408.342 3.673 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000507283520 1001967851 /nfs/dbraw/zinc/96/78/51/1001967851.db2.gz LVZWXCQUKUYNRL-UHFFFAOYSA-N -1 3 408.785 3.788 20 5 HHBDHM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000507301850 1001984372 /nfs/dbraw/zinc/98/43/72/1001984372.db2.gz HZAVFTJDWDCFCM-GOSISDBHSA-N -1 3 421.457 3.505 20 5 HHBDHM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000507479880 1002096435 /nfs/dbraw/zinc/09/64/35/1002096435.db2.gz QPAFMEYRRKSJIV-GFCCVEGCSA-N -1 3 424.500 3.518 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)c(Cl)c1 ZINC000507534135 1002142484 /nfs/dbraw/zinc/14/24/84/1002142484.db2.gz OKZLGMRXVXFBIT-OAHLLOKOSA-N -1 3 409.876 3.773 20 5 HHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508127935 1002658181 /nfs/dbraw/zinc/65/81/81/1002658181.db2.gz LSXGCCWLDQFQNT-INIZCTEOSA-N -1 3 413.377 3.966 20 5 HHBDHM O=C([N-]c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1I ZINC000508926583 1003370283 /nfs/dbraw/zinc/37/02/83/1003370283.db2.gz WBVQVDXEVJAURQ-UHFFFAOYSA-N -1 3 404.110 3.730 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)cc1F ZINC000510658754 1004783944 /nfs/dbraw/zinc/78/39/44/1004783944.db2.gz PAIFASXFEUIBRF-ZETCQYMHSA-N -1 3 409.258 3.597 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000502267349 1004985391 /nfs/dbraw/zinc/98/53/91/1004985391.db2.gz IWSLNINDOMRVQJ-UHFFFAOYSA-N -1 3 419.503 3.851 20 5 HHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cc2)n1 ZINC000513703914 1005089271 /nfs/dbraw/zinc/08/92/71/1005089271.db2.gz AIUZTJRAMBXTNL-UHFFFAOYSA-N -1 3 416.340 3.507 20 5 HHBDHM O=[N+]([O-])c1ccccc1CNCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000538425812 1006692228 /nfs/dbraw/zinc/69/22/28/1006692228.db2.gz DBXDSAPIKVEHJF-UHFFFAOYSA-N -1 3 415.446 3.825 20 5 HHBDHM Cc1ccc(-c2nc(C(=O)[N-]c3cc4c(cc3[N+](=O)[O-])OCCCO4)cs2)n1C ZINC000534744105 1006735203 /nfs/dbraw/zinc/73/52/03/1006735203.db2.gz QFXNUAJLLSUQIQ-UHFFFAOYSA-N -1 3 414.443 3.779 20 5 HHBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000516343709 1007030384 /nfs/dbraw/zinc/03/03/84/1007030384.db2.gz RZXVANBXPIAHTM-HNNXBMFYSA-N -1 3 417.940 3.671 20 5 HHBDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000518704275 1008398282 /nfs/dbraw/zinc/39/82/82/1008398282.db2.gz CZIQBSALVURAKL-YMTOWFKASA-N -1 3 415.265 3.552 20 5 HHBDHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)s2)cc1 ZINC000543818365 1009378834 /nfs/dbraw/zinc/37/88/34/1009378834.db2.gz CFJYLJTXWURLBN-UHFFFAOYSA-N -1 3 422.369 3.976 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)c(Cl)c1 ZINC000521196910 1010223250 /nfs/dbraw/zinc/22/32/50/1010223250.db2.gz RJMURPXWVQLEIQ-CQSZACIVSA-N -1 3 400.815 3.580 20 5 HHBDHM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2[N+](=O)[O-])C1 ZINC000521465025 1010387106 /nfs/dbraw/zinc/38/71/06/1010387106.db2.gz LIGPMZNBDLLUHJ-OKILXGFUSA-N -1 3 421.461 3.510 20 5 HHBDHM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2[N+](=O)[O-])C1 ZINC000521465025 1010387113 /nfs/dbraw/zinc/38/71/13/1010387113.db2.gz LIGPMZNBDLLUHJ-OKILXGFUSA-N -1 3 421.461 3.510 20 5 HHBDHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1ncc(Br)s1 ZINC000586835927 1072449162 /nfs/dbraw/zinc/44/91/62/1072449162.db2.gz BEFOPWHJJNJMBN-UHFFFAOYSA-N -1 3 407.043 3.829 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)cc1[N+](=O)[O-] ZINC000479378113 1072786871 /nfs/dbraw/zinc/78/68/71/1072786871.db2.gz PIQWPUNHJJVALI-UHFFFAOYSA-N -1 3 410.423 3.798 20 5 HHBDHM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC001212177398 1075438784 /nfs/dbraw/zinc/43/87/84/1075438784.db2.gz NMSBKPCDZKQMOK-NSHDSACASA-N -1 3 405.314 3.852 20 5 HHBDHM CC[C@H]1COCCN1c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301326158 970868721 /nfs/dbraw/zinc/86/87/21/970868721.db2.gz YWEKAVIUCAOIAU-INIZCTEOSA-N -1 3 419.503 3.628 20 5 HHBDHM Cc1ccc(-c2csc3[n-]c(Cn4nc(C)c([N+](=O)[O-])c4C)nc(=O)c23)s1 ZINC000007286820 961104645 /nfs/dbraw/zinc/10/46/45/961104645.db2.gz VTFGMOVZGMNKEO-UHFFFAOYSA-N -1 3 401.473 3.791 20 5 HHBDHM O=[N+]([O-])c1cccc(OC[C@@H](O)CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000015232668 962690669 /nfs/dbraw/zinc/69/06/69/962690669.db2.gz BYVSXHPHCAJTSV-GFCCVEGCSA-N -1 3 422.463 3.861 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCCOc1ccc(F)cc1 ZINC000028057249 965031117 /nfs/dbraw/zinc/03/11/17/965031117.db2.gz LHRMMAQAUPJEDP-UHFFFAOYSA-N -1 3 402.831 3.525 20 5 HHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)c2)n1 ZINC000058380987 965713271 /nfs/dbraw/zinc/71/32/71/965713271.db2.gz SHYIQOREPOEFOU-UHFFFAOYSA-N -1 3 403.398 3.641 20 5 HHBDHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000064896843 967321745 /nfs/dbraw/zinc/32/17/45/967321745.db2.gz DLVCQCGGMKICKX-UHFFFAOYSA-N -1 3 421.431 3.513 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000110098694 969622902 /nfs/dbraw/zinc/62/29/02/969622902.db2.gz SUMUXNIZEBVNFQ-HNNXBMFYSA-N -1 3 400.460 3.723 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2sccc2Br)c(Cl)c1 ZINC000110435932 969667243 /nfs/dbraw/zinc/66/72/43/969667243.db2.gz CKPJUAPUFBFBOQ-UHFFFAOYSA-N -1 3 411.686 3.551 20 5 HHBDHM COC[C@H](C)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000140438637 970077309 /nfs/dbraw/zinc/07/73/09/970077309.db2.gz ZCVGVKHVXGVMLB-CQSZACIVSA-N -1 3 407.492 3.707 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2c2ccccc2)c(Cl)c1 ZINC000146245839 970284818 /nfs/dbraw/zinc/28/48/18/970284818.db2.gz GIYYDPPYQRATFS-KDOFPFPSSA-N -1 3 410.879 3.694 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000253613535 970567699 /nfs/dbraw/zinc/56/76/99/970567699.db2.gz IIGQSADNNUZKJD-UHFFFAOYSA-N -1 3 409.427 3.730 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000325456614 972732805 /nfs/dbraw/zinc/73/28/05/972732805.db2.gz ZDGXIXXHAROEQE-UHFFFAOYSA-N -1 3 415.265 3.784 20 5 HHBDHM COc1cccc(C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])c1 ZINC000426787668 974659426 /nfs/dbraw/zinc/65/94/26/974659426.db2.gz GUMISGRBIQBSSY-SFHVURJKSA-N -1 3 413.455 3.512 20 5 HHBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(Cl)ccc1Br ZINC000426815249 974680929 /nfs/dbraw/zinc/68/09/29/974680929.db2.gz DQAKYSUFRMQTBZ-AWEZNQCLSA-N -1 3 413.655 3.796 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)n1 ZINC000427278875 975021382 /nfs/dbraw/zinc/02/13/82/975021382.db2.gz DFULVBGETGLJQH-LLVKDONJSA-N -1 3 420.491 3.815 20 5 HHBDHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000432587600 978901960 /nfs/dbraw/zinc/90/19/60/978901960.db2.gz LUNRDDRTNBLVDE-CQSZACIVSA-N -1 3 424.438 3.896 20 5 HHBDHM O=C(C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000436609194 981472404 /nfs/dbraw/zinc/47/24/04/981472404.db2.gz VSIWQXIRRSHENM-HXUWFJFHSA-N -1 3 405.410 3.800 20 5 HHBDHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000436817269 981574564 /nfs/dbraw/zinc/57/45/64/981574564.db2.gz WSCQKGNUBUKHJI-UHFFFAOYSA-N -1 3 406.442 3.565 20 5 HHBDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000436958859 981648057 /nfs/dbraw/zinc/64/80/57/981648057.db2.gz DUOKNTIWONKSJG-GFCCVEGCSA-N -1 3 424.413 3.649 20 5 HHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000442845655 985242919 /nfs/dbraw/zinc/24/29/19/985242919.db2.gz NNLOQNRVQMNCFC-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM Cc1nc(C(F)(F)F)sc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000463282957 986249852 /nfs/dbraw/zinc/24/98/52/986249852.db2.gz MHDPLVDOUBMXQB-UHFFFAOYSA-N -1 3 403.338 3.792 20 5 HHBDHM COc1cc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c([N+](=O)[O-])cc1[O-] ZINC000463710751 986696798 /nfs/dbraw/zinc/69/67/98/986696798.db2.gz ZODMVGYJIIDYGJ-UHFFFAOYSA-N -1 3 423.473 3.830 20 5 HHBDHM O=C(Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444966670 987098266 /nfs/dbraw/zinc/09/82/66/987098266.db2.gz OWTRBCQTIXMCHV-UHFFFAOYSA-N -1 3 411.324 3.769 20 5 HHBDHM COCCc1ccc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)cc1 ZINC000445199680 987273565 /nfs/dbraw/zinc/27/35/65/987273565.db2.gz YTBOKVBHQAWCAE-UHFFFAOYSA-N -1 3 409.398 3.929 20 5 HHBDHM COc1cc(Cc2noc(-c3ccc4c(c3[O-])CCCC4)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445820365 987884738 /nfs/dbraw/zinc/88/47/38/987884738.db2.gz UHZZOVBFBHASDL-UHFFFAOYSA-N -1 3 411.414 3.837 20 5 HHBDHM COc1cc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)ccc1[N+](=O)[O-] ZINC000464341929 988487327 /nfs/dbraw/zinc/48/73/27/988487327.db2.gz YNZVJFYQGHSRCO-UHFFFAOYSA-N -1 3 404.835 3.951 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1nc(C(F)(F)F)cs1 ZINC000466868826 992188399 /nfs/dbraw/zinc/18/83/99/992188399.db2.gz XUHOKQSEYQTTKG-JTQLQIEISA-N -1 3 409.411 3.808 20 5 HHBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000467072413 992377888 /nfs/dbraw/zinc/37/78/88/992377888.db2.gz MTVAIYXQLIJOMV-GOSISDBHSA-N -1 3 403.485 3.736 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccccc2F)c(C(F)(F)F)c1 ZINC000481223580 994055585 /nfs/dbraw/zinc/05/55/85/994055585.db2.gz DKIATEYPGQKIJL-UHFFFAOYSA-N -1 3 406.357 3.664 20 5 HHBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000481830543 994681453 /nfs/dbraw/zinc/68/14/53/994681453.db2.gz MTAFFSAHFZKABF-UHFFFAOYSA-N -1 3 406.445 3.697 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c(F)cc1F ZINC000482504850 995515068 /nfs/dbraw/zinc/51/50/68/995515068.db2.gz NOMNGNXMNFGKTR-UHFFFAOYSA-N -1 3 412.370 3.642 20 5 HHBDHM CC(C)c1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000482728019 995711055 /nfs/dbraw/zinc/71/10/55/995711055.db2.gz KYIZPQVIIXZQLR-UHFFFAOYSA-N -1 3 401.810 3.910 20 5 HHBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485127549 997512363 /nfs/dbraw/zinc/51/23/63/997512363.db2.gz AUGXIDQUONSISA-UHFFFAOYSA-N -1 3 402.370 3.720 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000488756978 999598304 /nfs/dbraw/zinc/59/83/04/999598304.db2.gz FNKAYCKGCWIIDH-JTQLQIEISA-N -1 3 405.295 3.848 20 5 HHBDHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000488796431 999611213 /nfs/dbraw/zinc/61/12/13/999611213.db2.gz KVSHARFKKSMUQU-GOSISDBHSA-N -1 3 423.922 3.672 20 5 HHBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2ccc(C)cc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000480624326 999843744 /nfs/dbraw/zinc/84/37/44/999843744.db2.gz KKAJVSCSKMWETG-SFHVURJKSA-N -1 3 403.485 3.736 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000491604491 1000089187 /nfs/dbraw/zinc/08/91/87/1000089187.db2.gz MRPNWMGQTAFFGE-SNVBAGLBSA-N -1 3 408.860 3.887 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000491604490 1000089262 /nfs/dbraw/zinc/08/92/62/1000089262.db2.gz MRPNWMGQTAFFGE-JTQLQIEISA-N -1 3 408.860 3.887 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000507950998 1002483615 /nfs/dbraw/zinc/48/36/15/1002483615.db2.gz MHESWIBHPBRMMN-ZDUSSCGKSA-N -1 3 422.356 3.715 20 5 HHBDHM COc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000499167825 1002553731 /nfs/dbraw/zinc/55/37/31/1002553731.db2.gz MDGOIVHCOOROKH-UHFFFAOYSA-N -1 3 404.366 3.607 20 5 HHBDHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000512561121 1004386066 /nfs/dbraw/zinc/38/60/66/1004386066.db2.gz VBAPNDGLVWVTFU-UHFFFAOYSA-N -1 3 424.417 3.819 20 5 HHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc(-c2ncccc2F)n1 ZINC000512936505 1004709257 /nfs/dbraw/zinc/70/92/57/1004709257.db2.gz XXYVVMRRXOZQIE-UHFFFAOYSA-N -1 3 416.390 3.666 20 5 HHBDHM Cc1nc(-c2ccc(NC(=O)N(C)CCc3ccccc3[N+](=O)[O-])cc2)cc(=O)[n-]1 ZINC000513584253 1005035808 /nfs/dbraw/zinc/03/58/08/1005035808.db2.gz RZFRCXNUGCOZSL-UHFFFAOYSA-N -1 3 407.430 3.772 20 5 HHBDHM Cc1ccc(C(=O)c2c([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc3c2CCC3)c(C)c1 ZINC000511468176 1005188828 /nfs/dbraw/zinc/18/88/28/1005188828.db2.gz DLIIBMNZEZGFLJ-UHFFFAOYSA-N -1 3 424.482 3.979 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)nc2)c(Cl)c1 ZINC000503951177 1005518026 /nfs/dbraw/zinc/51/80/26/1005518026.db2.gz JSUKRHOSUWLEEN-UHFFFAOYSA-N -1 3 419.846 3.914 20 5 HHBDHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c([O-])c1 ZINC000538927957 1007212806 /nfs/dbraw/zinc/21/28/06/1007212806.db2.gz MFPPBBCLIBGFMU-SNVBAGLBSA-N -1 3 408.794 3.537 20 5 HHBDHM COc1cc(CNc2cccc(-c3nnc4n3CCCCC4)c2)c([N+](=O)[O-])cc1[O-] ZINC000533219691 1007543536 /nfs/dbraw/zinc/54/35/36/1007543536.db2.gz UYQPEBAGRSGOQP-UHFFFAOYSA-N -1 3 409.446 3.906 20 5 HHBDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000533465669 1007776882 /nfs/dbraw/zinc/77/68/82/1007776882.db2.gz TWKMTOMIBDDDIR-JOYOIKCWSA-N -1 3 404.366 3.809 20 5 HHBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000540513892 1008463053 /nfs/dbraw/zinc/46/30/53/1008463053.db2.gz LIFZIFLAIPWCQB-UHFFFAOYSA-N -1 3 408.414 3.971 20 5 HHBDHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)[n-]c(=O)c21 ZINC000519031509 1008505941 /nfs/dbraw/zinc/50/59/41/1008505941.db2.gz PQENSQUBHBVUJE-JTQLQIEISA-N -1 3 400.416 3.587 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000543166974 1008743442 /nfs/dbraw/zinc/74/34/42/1008743442.db2.gz KLAMOIPHXRMFHH-AWEZNQCLSA-N -1 3 410.320 3.763 20 5 HHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000521415788 1010363004 /nfs/dbraw/zinc/36/30/04/1010363004.db2.gz LDTSDNFICZTVCH-UHFFFAOYSA-N -1 3 403.229 3.860 20 5 HHBDHM CCOC(=O)c1cc([N-]C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])c(F)cc1C ZINC000551679967 1010737452 /nfs/dbraw/zinc/73/74/52/1010737452.db2.gz HRFUAVOOQLEJRY-UHFFFAOYSA-N -1 3 420.393 3.879 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000545356653 1010747992 /nfs/dbraw/zinc/74/79/92/1010747992.db2.gz JBXGSJCMQBWPFT-SNVBAGLBSA-N -1 3 409.411 3.641 20 5 HHBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000536194802 1011337899 /nfs/dbraw/zinc/33/78/99/1011337899.db2.gz XUTIHFDCBWKRFF-GOSISDBHSA-N -1 3 409.364 3.694 20 5 HHBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000536542626 1011724048 /nfs/dbraw/zinc/72/40/48/1011724048.db2.gz JABDLWCKMJVMHU-UHFFFAOYSA-N -1 3 415.413 3.639 20 5 HHBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000536542626 1011724074 /nfs/dbraw/zinc/72/40/74/1011724074.db2.gz JABDLWCKMJVMHU-UHFFFAOYSA-N -1 3 415.413 3.639 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)c(F)cc1F ZINC000523497089 1012017514 /nfs/dbraw/zinc/01/75/14/1012017514.db2.gz HJBFIGDECJHGAE-UHFFFAOYSA-N -1 3 415.146 3.674 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000541340197 1012051717 /nfs/dbraw/zinc/05/17/17/1012051717.db2.gz AWYXTTPMWADYKO-UHFFFAOYSA-N -1 3 405.259 3.697 20 5 HHBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537240464 1012681593 /nfs/dbraw/zinc/68/15/93/1012681593.db2.gz BHPYJYLBMHKNDW-UHFFFAOYSA-N -1 3 422.466 3.877 20 5 HHBDHM COc1ccccc1[C@@H]([N-]c1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])c1ccccn1 ZINC000760271081 1071813923 /nfs/dbraw/zinc/81/39/23/1071813923.db2.gz UZKHXMSYPGTRPF-LJQANCHMSA-N -1 3 424.413 3.909 20 5 HHBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1c(F)cccc1I ZINC000760320840 1072245512 /nfs/dbraw/zinc/24/55/12/1072245512.db2.gz GJZUOECNHFSRPS-UHFFFAOYSA-N -1 3 422.100 3.869 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCn3cccc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301514537 970963147 /nfs/dbraw/zinc/96/31/47/970963147.db2.gz GBASYUXFRLBEKL-UHFFFAOYSA-N -1 3 414.487 3.926 20 5 HHBDHM CO[C@H](C)[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000302731743 971294170 /nfs/dbraw/zinc/29/41/70/971294170.db2.gz WOGPKQZFZJAOQM-LSDHHAIUSA-N -1 3 407.492 3.848 20 5 HHBDHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303659679 971938433 /nfs/dbraw/zinc/93/84/33/971938433.db2.gz ASGYMKIIRKUSFB-GOSISDBHSA-N -1 3 418.453 3.613 20 5 HHBDHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000303818341 972050380 /nfs/dbraw/zinc/05/03/80/972050380.db2.gz WXYDSVUPJNEGCC-QLJPJBMISA-N -1 3 419.286 3.956 20 5 HHBDHM COc1ccc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000007688066 961285278 /nfs/dbraw/zinc/28/52/78/961285278.db2.gz ASOBAGRNDSFIFY-UHFFFAOYSA-N -1 3 402.457 4.000 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000015173727 962676266 /nfs/dbraw/zinc/67/62/66/962676266.db2.gz QKJOQUMMSTVBTI-IYBDPMFKSA-N -1 3 419.503 3.626 20 5 HHBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000064953414 967336450 /nfs/dbraw/zinc/33/64/50/967336450.db2.gz GIJWUINLLAKZHQ-UHFFFAOYSA-N -1 3 408.785 3.788 20 5 HHBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1c(F)cc(Br)cc1F ZINC000324349154 972720994 /nfs/dbraw/zinc/72/09/94/972720994.db2.gz FWZYRKJVPMFZPY-UHFFFAOYSA-N -1 3 411.155 3.575 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccc(Br)c3)cs2)n1 ZINC000427126109 974924343 /nfs/dbraw/zinc/92/43/43/974924343.db2.gz KRRCTFDMNVPAGV-UHFFFAOYSA-N -1 3 422.264 3.950 20 5 HHBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000431918353 978600468 /nfs/dbraw/zinc/60/04/68/978600468.db2.gz HJOAPHCEFMQDLJ-GDBMZVCRSA-N -1 3 423.922 3.580 20 5 HHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H](c1ccccc1)C(F)(F)F ZINC000432277132 978740184 /nfs/dbraw/zinc/74/01/84/978740184.db2.gz MVLRHHIQHHXSSY-AWEZNQCLSA-N -1 3 402.394 3.918 20 5 HHBDHM CCOC(=O)c1nnc(-c2cccc(CNc3ccc4ncccc4c3[N+](=O)[O-])c2)[n-]1 ZINC000432932088 979015082 /nfs/dbraw/zinc/01/50/82/979015082.db2.gz GCWFBZRZCQANCI-UHFFFAOYSA-N -1 3 418.413 3.717 20 5 HHBDHM CCOC(=O)c1nc(-c2cccc(CNc3ccc4ncccc4c3[N+](=O)[O-])c2)n[n-]1 ZINC000432932088 979015085 /nfs/dbraw/zinc/01/50/85/979015085.db2.gz GCWFBZRZCQANCI-UHFFFAOYSA-N -1 3 418.413 3.717 20 5 HHBDHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000436695935 981518522 /nfs/dbraw/zinc/51/85/22/981518522.db2.gz GUJIWGVJFWHRFJ-UHFFFAOYSA-N -1 3 407.426 3.518 20 5 HHBDHM CCCCN(CCO)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000462116112 985085927 /nfs/dbraw/zinc/08/59/27/985085927.db2.gz LMBQKYBGLSRENS-UHFFFAOYSA-N -1 3 421.519 3.611 20 5 HHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1Br ZINC000442840198 985239437 /nfs/dbraw/zinc/23/94/37/985239437.db2.gz ZYSXCLKUJRFYGD-UHFFFAOYSA-N -1 3 407.192 3.745 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(C)(C)CCO)c([N+](=O)[O-])c2)c(C)c1 ZINC000463065171 986023032 /nfs/dbraw/zinc/02/30/32/986023032.db2.gz UDZKGNMPUKDCHQ-UHFFFAOYSA-N -1 3 421.519 3.833 20 5 HHBDHM Cc1cc(Cl)ccc1Cc1cnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000445176465 987260009 /nfs/dbraw/zinc/26/00/09/987260009.db2.gz UXLHNGGKMWKWTN-UHFFFAOYSA-N -1 3 404.835 3.957 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(O)cccc32)c(C(F)(F)F)c1 ZINC000480850796 993723738 /nfs/dbraw/zinc/72/37/38/993723738.db2.gz ZFYFIGGABXUZJE-CQSZACIVSA-N -1 3 416.377 3.675 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1csc(-c2ccccc2)n1 ZINC000481073596 993913189 /nfs/dbraw/zinc/91/31/89/993913189.db2.gz CBJDFZFFAWRTQY-UHFFFAOYSA-N -1 3 423.903 3.893 20 5 HHBDHM CCc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000482744253 995719756 /nfs/dbraw/zinc/71/97/56/995719756.db2.gz UHPXEUDXCOGZTI-UHFFFAOYSA-N -1 3 421.335 3.715 20 5 HHBDHM CC(C)([C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000487125129 999070099 /nfs/dbraw/zinc/07/00/99/999070099.db2.gz XOWAOYJKTHAZLK-LJQANCHMSA-N -1 3 419.428 3.924 20 5 HHBDHM CSc1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000488949322 999655141 /nfs/dbraw/zinc/65/51/41/999655141.db2.gz VBPLEKIYIXOYTG-UHFFFAOYSA-N -1 3 417.306 3.558 20 5 HHBDHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000490225555 999915144 /nfs/dbraw/zinc/91/51/44/999915144.db2.gz WNCLTZHSCALXJJ-UHFFFAOYSA-N -1 3 407.473 3.619 20 5 HHBDHM CCOC(=O)c1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)cc([N+](=O)[O-])c1 ZINC000504625414 1000298078 /nfs/dbraw/zinc/29/80/78/1000298078.db2.gz DHAMXXRSLTYFEA-UHFFFAOYSA-N -1 3 418.475 3.998 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(F)c(C(F)(F)F)cc1F ZINC000496034025 1001116326 /nfs/dbraw/zinc/11/63/26/1001116326.db2.gz QPAPTEJJKGQKCG-UHFFFAOYSA-N -1 3 413.262 3.929 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3cn(C4CCCC4)nc32)c(Cl)c1 ZINC000506599073 1001467534 /nfs/dbraw/zinc/46/75/34/1001467534.db2.gz ZULDITZZIBQKEN-INIZCTEOSA-N -1 3 424.910 3.916 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507938218 1002472591 /nfs/dbraw/zinc/47/25/91/1002472591.db2.gz QNDKWJGBSJHVOW-CYBMUJFWSA-N -1 3 422.356 3.715 20 5 HHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(Br)s3)cs2)n1 ZINC000502513707 1005097860 /nfs/dbraw/zinc/09/78/60/1005097860.db2.gz CZCBGMWECLIRET-UHFFFAOYSA-N -1 3 414.266 3.528 20 5 HHBDHM C[C@H]1CCc2c(sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])c2C(=O)c2ccccc2)C1 ZINC000502797274 1005222090 /nfs/dbraw/zinc/22/20/90/1005222090.db2.gz UXGIWPGWDSPWMK-LBPRGKRZSA-N -1 3 424.482 3.998 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000515208923 1006339788 /nfs/dbraw/zinc/33/97/88/1006339788.db2.gz XNWHPMUYLMWUIZ-ZDUSSCGKSA-N -1 3 416.402 3.634 20 5 HHBDHM O=C(Nc1ccc(Br)cc1[O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000515216112 1006341353 /nfs/dbraw/zinc/34/13/53/1006341353.db2.gz HMYSFTLLRXCMER-UHFFFAOYSA-N -1 3 403.192 3.501 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000532825351 1007209029 /nfs/dbraw/zinc/20/90/29/1007209029.db2.gz MYPFTAVVXZELRE-UHFFFAOYSA-N -1 3 407.829 3.944 20 5 HHBDHM CCOc1cc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)c([N+](=O)[O-])cc1OCC ZINC000533780136 1008104681 /nfs/dbraw/zinc/10/46/81/1008104681.db2.gz COYBYHSCTVJUDI-AWEZNQCLSA-N -1 3 407.448 3.953 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000521295382 1010285516 /nfs/dbraw/zinc/28/55/16/1010285516.db2.gz CJARECRXCBPTAV-LBPRGKRZSA-N -1 3 420.310 3.552 20 5 HHBDHM CS[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC000541309903 1012017446 /nfs/dbraw/zinc/01/74/46/1012017446.db2.gz QGQRXFXSHUINHI-LBPRGKRZSA-N -1 3 400.444 3.670 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2F)c([N+](=O)[O-])s1 ZINC001212035076 1071917409 /nfs/dbraw/zinc/91/74/09/1071917409.db2.gz INQPAWFRLQJNCP-QMMMGPOBSA-N -1 3 423.285 3.906 20 5 HHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)ccc1Br ZINC000760335482 1072254895 /nfs/dbraw/zinc/25/48/95/1072254895.db2.gz QCTNCWYRCAWCDV-UHFFFAOYSA-N -1 3 409.620 3.951 20 5 HHBDHM CO[C@@H]1CC[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1 ZINC000302779532 971316862 /nfs/dbraw/zinc/31/68/62/971316862.db2.gz QSYLGHQNUWDBGH-HZPDHXFCSA-N -1 3 419.503 3.992 20 5 HHBDHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000303659681 971938542 /nfs/dbraw/zinc/93/85/42/971938542.db2.gz ASGYMKIIRKUSFB-SFHVURJKSA-N -1 3 418.453 3.613 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccccc2)c[nH]1 ZINC000524313292 1013129318 /nfs/dbraw/zinc/12/93/18/1013129318.db2.gz LVHWKJKCYVKKSB-HNNXBMFYSA-N -1 3 404.423 3.554 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@]3(C)CCO[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000542209183 1013154937 /nfs/dbraw/zinc/15/49/37/1013154937.db2.gz BKZDDMDMFLRQPP-QRWLVFNGSA-N -1 3 419.503 3.992 20 5 HHBDHM O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000009521357 961649637 /nfs/dbraw/zinc/64/96/37/961649637.db2.gz CPVVVGSSNOMVJA-UHFFFAOYSA-N -1 3 413.846 3.963 20 5 HHBDHM NC(=O)c1ccc(CSc2nnc([N-]c3ccccc3F)s2)c([N+](=O)[O-])c1 ZINC000016755552 963099418 /nfs/dbraw/zinc/09/94/18/963099418.db2.gz VVKLXVLOMKRNGU-UHFFFAOYSA-N -1 3 405.436 3.720 20 5 HHBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000049636629 964186139 /nfs/dbraw/zinc/18/61/39/964186139.db2.gz NEFUAJXIRONFFZ-UHFFFAOYSA-N -1 3 416.283 3.714 20 5 HHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3sccc3Br)cs2)n1 ZINC000537916033 1013501247 /nfs/dbraw/zinc/50/12/47/1013501247.db2.gz BPHZMTGABSUKAD-UHFFFAOYSA-N -1 3 414.266 3.528 20 5 HHBDHM CCOC(=O)CSc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)s1 ZINC000031907961 966150490 /nfs/dbraw/zinc/15/04/90/966150490.db2.gz RCORKEZCEPERJL-UHFFFAOYSA-N -1 3 424.485 3.569 20 5 HHBDHM O=C([N-]c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1I ZINC000037253245 966473241 /nfs/dbraw/zinc/47/32/41/966473241.db2.gz GHUAQKWUSBRPMK-UHFFFAOYSA-N -1 3 404.110 3.730 20 5 HHBDHM O=c1[n-]c(SCCOc2cccc([N+](=O)[O-])c2)nc2c1cnn2-c1ccccc1 ZINC000042110776 966721269 /nfs/dbraw/zinc/72/12/69/966721269.db2.gz NWZDOLFKZRUBLR-UHFFFAOYSA-N -1 3 409.427 3.600 20 5 HHBDHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000078515062 969002540 /nfs/dbraw/zinc/00/25/40/969002540.db2.gz KWGLOBSWLZQSDY-UHFFFAOYSA-N -1 3 417.365 3.546 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@](C)(O)C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000078882803 969022471 /nfs/dbraw/zinc/02/24/71/969022471.db2.gz RAPAFSSACJDFOC-HXUWFJFHSA-N -1 3 421.519 3.831 20 5 HHBDHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000110082323 969621093 /nfs/dbraw/zinc/62/10/93/969621093.db2.gz TVKPVBSQTGOUDO-UHFFFAOYSA-N -1 3 417.465 3.854 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C(=O)OC(C)C)CCCC3)n1 ZINC000138482772 969997480 /nfs/dbraw/zinc/99/74/80/969997480.db2.gz SYGKGXSZMMVCOZ-UHFFFAOYSA-N -1 3 406.464 3.569 20 5 HHBDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000427811312 975303206 /nfs/dbraw/zinc/30/32/06/975303206.db2.gz MDGXKRYITGPAKR-IBGZPJMESA-N -1 3 402.428 3.573 20 5 HHBDHM Cc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc(Br)cc1[N+](=O)[O-] ZINC000429796072 977073872 /nfs/dbraw/zinc/07/38/72/977073872.db2.gz MXDNOTJAZUZREW-UHFFFAOYSA-N -1 3 407.146 3.792 20 5 HHBDHM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432649882 978925758 /nfs/dbraw/zinc/92/57/58/978925758.db2.gz WANIXFZDXZVASI-UHFFFAOYSA-N -1 3 406.221 3.523 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CCOC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000432868315 978996574 /nfs/dbraw/zinc/99/65/74/978996574.db2.gz YHFOZXHNLYSLIE-DOTOQJQBSA-N -1 3 419.503 3.849 20 5 HHBDHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000436534184 981425269 /nfs/dbraw/zinc/42/52/69/981425269.db2.gz ZZGQBCPSZBPCGL-OAHLLOKOSA-N -1 3 420.425 3.814 20 5 HHBDHM COc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c1[O-] ZINC000436943086 981636951 /nfs/dbraw/zinc/63/69/51/981636951.db2.gz YGGKIRZYELSFPK-UHFFFAOYSA-N -1 3 406.192 3.712 20 5 HHBDHM CC(=O)c1cc(F)c([N-]C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(F)c1F ZINC000461101419 982793474 /nfs/dbraw/zinc/79/34/74/982793474.db2.gz ZGSPPYWOANKQLS-UHFFFAOYSA-N -1 3 404.304 3.653 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(-c2ccccn2)c1 ZINC000438951915 983174375 /nfs/dbraw/zinc/17/43/75/983174375.db2.gz KAVWBNMCTWBTMK-UHFFFAOYSA-N -1 3 403.847 3.789 20 5 HHBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1Cl ZINC000462710346 985655179 /nfs/dbraw/zinc/65/51/79/985655179.db2.gz FMHODKKSSVYIGQ-SNVBAGLBSA-N -1 3 405.259 3.647 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000444030666 986226783 /nfs/dbraw/zinc/22/67/83/986226783.db2.gz LIRLQWWXTGUXIO-UHFFFAOYSA-N -1 3 421.544 3.561 20 5 HHBDHM Cc1ccccc1Cn1c2ccccc2nc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445146112 987240230 /nfs/dbraw/zinc/24/02/30/987240230.db2.gz WQYVQRVCXKTIKW-UHFFFAOYSA-N -1 3 403.398 3.654 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1nc(C(F)(F)F)cs1 ZINC000466868827 992188590 /nfs/dbraw/zinc/18/85/90/992188590.db2.gz XUHOKQSEYQTTKG-SNVBAGLBSA-N -1 3 409.411 3.808 20 5 HHBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000467078800 992384997 /nfs/dbraw/zinc/38/49/97/992384997.db2.gz KYMKNFWUDXYDEO-KRWDZBQOSA-N -1 3 407.448 3.567 20 5 HHBDHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467220277 992545062 /nfs/dbraw/zinc/54/50/62/992545062.db2.gz VJQFCRUWXDGMIS-UHFFFAOYSA-N -1 3 414.643 3.716 20 5 HHBDHM C/C=C/C[C@H](CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000472647254 993583649 /nfs/dbraw/zinc/58/36/49/993583649.db2.gz CENMIZWRWLLTAY-DWTRPJMMSA-N -1 3 419.503 3.751 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)c(C(F)(F)F)c1 ZINC000480861620 993733732 /nfs/dbraw/zinc/73/37/32/993733732.db2.gz GDTHLEGLKWMNNG-CYBMUJFWSA-N -1 3 422.425 3.774 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)c(Br)c1 ZINC000480904408 993760502 /nfs/dbraw/zinc/76/05/02/993760502.db2.gz XTXJPVGDUSZQMM-UHFFFAOYSA-N -1 3 411.277 3.713 20 5 HHBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ccc([O-])c(Br)c1 ZINC000482611179 995608649 /nfs/dbraw/zinc/60/86/49/995608649.db2.gz UZVLJKSMDHGZJX-UHFFFAOYSA-N -1 3 422.279 3.885 20 5 HHBDHM Nc1c(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)cc(F)cc1[N+](=O)[O-] ZINC000478783867 999138851 /nfs/dbraw/zinc/13/88/51/999138851.db2.gz XFXZGECOZGBPMY-UHFFFAOYSA-N -1 3 411.777 3.879 20 5 HHBDHM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488701541 999579397 /nfs/dbraw/zinc/57/93/97/999579397.db2.gz POPPBMRRQIZOKB-CQSZACIVSA-N -1 3 411.277 3.632 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccs1 ZINC000488756979 999598363 /nfs/dbraw/zinc/59/83/63/999598363.db2.gz FNKAYCKGCWIIDH-SNVBAGLBSA-N -1 3 405.295 3.848 20 5 HHBDHM O=C([N-]c1nc(Sc2ccccc2)ns1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489345605 999749681 /nfs/dbraw/zinc/74/96/81/999749681.db2.gz QKODTOCHIGDMMH-UHFFFAOYSA-N -1 3 402.413 3.579 20 5 HHBDHM Cc1ccc([C@@H]([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480569059 999828880 /nfs/dbraw/zinc/82/88/80/999828880.db2.gz UJHGSOVKOAYKRU-QGZVFWFLSA-N -1 3 403.485 3.965 20 5 HHBDHM COCCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480629394 999845288 /nfs/dbraw/zinc/84/52/88/999845288.db2.gz FEOYSVKMNLFFQN-INIZCTEOSA-N -1 3 412.895 3.564 20 5 HHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000493283781 1000167516 /nfs/dbraw/zinc/16/75/16/1000167516.db2.gz WCACZCDLIIXZSH-UHFFFAOYSA-N -1 3 421.544 3.561 20 5 HHBDHM COC(=O)c1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)cc([N+](=O)[O-])c1 ZINC000504591853 1000284660 /nfs/dbraw/zinc/28/46/60/1000284660.db2.gz ITPGUXSCBYQYHR-UHFFFAOYSA-N -1 3 404.448 3.608 20 5 HHBDHM C[C@H](Nc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000507245499 1001930097 /nfs/dbraw/zinc/93/00/97/1001930097.db2.gz BLIHDHWKURRCSY-LBPRGKRZSA-N -1 3 419.401 3.793 20 5 HHBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1[N+](=O)[O-] ZINC000508066116 1002587016 /nfs/dbraw/zinc/58/70/16/1002587016.db2.gz AHOXPZQYVKAUMD-UHFFFAOYSA-N -1 3 420.672 3.823 20 5 HHBDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000508113428 1002642032 /nfs/dbraw/zinc/64/20/32/1002642032.db2.gz STYHJFWGKKHLNY-UHFFFAOYSA-N -1 3 412.851 3.761 20 5 HHBDHM CCOc1cc([N-]C(=O)c2cn(-c3cccc(C)c3)nn2)c([N+](=O)[O-])cc1OCC ZINC000508811742 1003237656 /nfs/dbraw/zinc/23/76/56/1003237656.db2.gz OKOHTZILHJSKCJ-UHFFFAOYSA-N -1 3 411.418 3.534 20 5 HHBDHM COc1ccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)cc1F ZINC000501460327 1004437296 /nfs/dbraw/zinc/43/72/96/1004437296.db2.gz FMOISCNYEIPMPS-AULYBMBSSA-N -1 3 414.842 3.620 20 5 HHBDHM CCc1cc(=O)[n-]c(CSCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])n1 ZINC000502409127 1005062976 /nfs/dbraw/zinc/06/29/76/1005062976.db2.gz ZPJLIADPTKRMML-UHFFFAOYSA-N -1 3 415.418 3.739 20 5 HHBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000502440255 1005076797 /nfs/dbraw/zinc/07/67/97/1005076797.db2.gz ZNGGXJPKMSVHSR-UHFFFAOYSA-N -1 3 423.647 3.628 20 5 HHBDHM COc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCCC(C)C ZINC000515524383 1006514369 /nfs/dbraw/zinc/51/43/69/1006514369.db2.gz AQWMUTUCKOCICU-UHFFFAOYSA-N -1 3 408.476 3.507 20 5 HHBDHM COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000534988200 1007047006 /nfs/dbraw/zinc/04/70/06/1007047006.db2.gz FQDXCAQVPWITFZ-UHFFFAOYSA-N -1 3 410.835 3.861 20 5 HHBDHM CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c([O-])c1 ZINC000538927954 1007212668 /nfs/dbraw/zinc/21/26/68/1007212668.db2.gz MFPPBBCLIBGFMU-JTQLQIEISA-N -1 3 408.794 3.537 20 5 HHBDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000533006770 1007372175 /nfs/dbraw/zinc/37/21/75/1007372175.db2.gz VWOGFEMJIWWVFD-JOYOIKCWSA-N -1 3 415.265 3.552 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000543690148 1009298978 /nfs/dbraw/zinc/29/89/78/1009298978.db2.gz XKWCJHFBFXHDKK-XJKSGUPXSA-N -1 3 414.842 3.586 20 5 HHBDHM Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000546400870 1009415559 /nfs/dbraw/zinc/41/55/59/1009415559.db2.gz JKJCKFZGROEERZ-NSHDSACASA-N -1 3 422.850 3.646 20 5 HHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2)n1 ZINC000545122944 1010629593 /nfs/dbraw/zinc/62/95/93/1010629593.db2.gz NIDKTHDIPVEKGA-UHFFFAOYSA-N -1 3 410.405 3.709 20 5 HHBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000551564264 1010663881 /nfs/dbraw/zinc/66/38/81/1010663881.db2.gz HXCIMSOZHCQIRP-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc2c(c1)nc1n2CCCCC1 ZINC000545380842 1010763911 /nfs/dbraw/zinc/76/39/11/1010763911.db2.gz IAFJXLCPGDQBRB-UHFFFAOYSA-N -1 3 400.460 3.613 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ccccc1[N+](=O)[O-] ZINC000537018623 1012324422 /nfs/dbraw/zinc/32/44/22/1012324422.db2.gz KIGURCJZKRWWFD-MRVPVSSYSA-N -1 3 421.219 3.675 20 5 HHBDHM O=C(Nc1nc2ccc(Cl)cc2n1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000570150686 1072189019 /nfs/dbraw/zinc/18/90/19/1072189019.db2.gz YXNNMLKLLZYZBE-UHFFFAOYSA-N -1 3 423.816 3.999 20 5 HHBDHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1[O-] ZINC000588097153 1072820405 /nfs/dbraw/zinc/82/04/05/1072820405.db2.gz ZLIYBFJLHWKQCP-UHFFFAOYSA-N -1 3 401.762 3.541 20 5 HHBDHM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590557113 1073891510 /nfs/dbraw/zinc/89/15/10/1073891510.db2.gz XFZKZBBNMVVLGZ-UHFFFAOYSA-N -1 3 409.324 3.636 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cccc([N+](=O)[O-])c1Br ZINC000760816852 1074210222 /nfs/dbraw/zinc/21/02/22/1074210222.db2.gz XGWXVJUTJGUTLK-UHFFFAOYSA-N -1 3 406.171 3.534 20 5 HHBDHM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC001212177397 1075438364 /nfs/dbraw/zinc/43/83/64/1075438364.db2.gz NMSBKPCDZKQMOK-LLVKDONJSA-N -1 3 405.314 3.852 20 5 HHBDHM COc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000301389725 970903880 /nfs/dbraw/zinc/90/38/80/970903880.db2.gz ZPJWLLBIUKGIOS-UHFFFAOYSA-N -1 3 405.838 3.818 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3C[C@@H](O)C3(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000302431753 971237125 /nfs/dbraw/zinc/23/71/25/971237125.db2.gz OXQJMOKJWJCQTM-RTBURBONSA-N -1 3 419.503 3.584 20 5 HHBDHM O=C(Nc1cccc(C[S@](=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303672343 971950899 /nfs/dbraw/zinc/95/08/99/971950899.db2.gz KAKGQNWOWGWEPT-NDEPHWFRSA-N -1 3 403.460 3.529 20 5 HHBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)cc1 ZINC000524314360 1013130788 /nfs/dbraw/zinc/13/07/88/1013130788.db2.gz PSFNMHFOLYBKME-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)[C@@H]3CCCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000553263076 1013229871 /nfs/dbraw/zinc/22/98/71/1013229871.db2.gz CMCAUHOPXGJWLJ-MRXNPFEDSA-N -1 3 419.503 3.628 20 5 HHBDHM O=[N+]([O-])c1cccc(OC[C@H](O)CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000015232667 962690309 /nfs/dbraw/zinc/69/03/09/962690309.db2.gz BYVSXHPHCAJTSV-LBPRGKRZSA-N -1 3 422.463 3.861 20 5 HHBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000015408221 962750453 /nfs/dbraw/zinc/75/04/53/962750453.db2.gz VALNNMRMRHCWSI-UHFFFAOYSA-N -1 3 415.402 3.787 20 5 HHBDHM Cc1sc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc1-c1ccc(OC(F)F)cc1 ZINC000021597404 963500572 /nfs/dbraw/zinc/50/05/72/963500572.db2.gz RNBKMIQQPNPPCY-UHFFFAOYSA-N -1 3 422.369 3.569 20 5 HHBDHM Cc1n[nH]cc1Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000063282887 966801088 /nfs/dbraw/zinc/80/10/88/966801088.db2.gz GMUHSDDSISVSQR-UHFFFAOYSA-N -1 3 401.448 3.788 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000146298166 970285961 /nfs/dbraw/zinc/28/59/61/970285961.db2.gz VUNFEKXFUUYPKW-RDTXWAMCSA-N -1 3 410.879 3.694 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301101344 970748917 /nfs/dbraw/zinc/74/89/17/970748917.db2.gz QQSFDMAENDXLBR-UHFFFAOYSA-N -1 3 421.866 3.518 20 5 HHBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000425944897 974052790 /nfs/dbraw/zinc/05/27/90/974052790.db2.gz OUOGTTLHTGFPIZ-UHFFFAOYSA-N -1 3 416.397 3.606 20 5 HHBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000425944897 974052800 /nfs/dbraw/zinc/05/28/00/974052800.db2.gz OUOGTTLHTGFPIZ-UHFFFAOYSA-N -1 3 416.397 3.606 20 5 HHBDHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000426317319 974391878 /nfs/dbraw/zinc/39/18/78/974391878.db2.gz CSXVUCUKUKMYPV-UHFFFAOYSA-N -1 3 418.818 3.672 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCC3CC(O)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000432859519 978994203 /nfs/dbraw/zinc/99/42/03/978994203.db2.gz OSUUQPWLRDUINF-UHFFFAOYSA-N -1 3 419.503 3.585 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000435441462 980864637 /nfs/dbraw/zinc/86/46/37/980864637.db2.gz FUFNPGIBAUJTLG-OCCSQVGLSA-N -1 3 404.341 3.587 20 5 HHBDHM CC(C)c1ccc(C(=O)N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c([O-])c1 ZINC000436916487 981622065 /nfs/dbraw/zinc/62/20/65/981622065.db2.gz WSTXVEULUGZDFR-UHFFFAOYSA-N -1 3 423.473 3.653 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000437309005 981961153 /nfs/dbraw/zinc/96/11/53/981961153.db2.gz UZDSPKLGNKJTJH-VHSXEESVSA-N -1 3 400.806 3.895 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3cccnc3)cc2)c(Cl)c1 ZINC000437719245 982316451 /nfs/dbraw/zinc/31/64/51/982316451.db2.gz NJIAUSOZDNHHMQ-UHFFFAOYSA-N -1 3 403.847 3.789 20 5 HHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1C ZINC000444037409 986235231 /nfs/dbraw/zinc/23/52/31/986235231.db2.gz ZQKSLMLTTPBEDF-UHFFFAOYSA-N -1 3 421.544 3.561 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2cnc(-c3ccc(OC)cc3)s2)cc([N+](=O)[O-])c1 ZINC000463696752 986680468 /nfs/dbraw/zinc/68/04/68/986680468.db2.gz OCOMMGHVDYFRLW-UHFFFAOYSA-N -1 3 413.411 3.766 20 5 HHBDHM O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444846458 987005199 /nfs/dbraw/zinc/00/51/99/987005199.db2.gz HPGYKLZCIDBHQG-UHFFFAOYSA-N -1 3 408.342 3.673 20 5 HHBDHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464648106 988832477 /nfs/dbraw/zinc/83/24/77/988832477.db2.gz IMYWFVIXLFOLRK-UHFFFAOYSA-N -1 3 400.807 3.667 20 5 HHBDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000472024796 990196922 /nfs/dbraw/zinc/19/69/22/990196922.db2.gz IXMAAAZHUYDHJX-UHFFFAOYSA-N -1 3 404.386 3.700 20 5 HHBDHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467786193 993023216 /nfs/dbraw/zinc/02/32/16/993023216.db2.gz IBWLUMXVXSWAQI-MAUKXSAKSA-N -1 3 410.879 3.755 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)c(C(F)(F)F)c1 ZINC000480754729 993621027 /nfs/dbraw/zinc/62/10/27/993621027.db2.gz YRYAUUQCZRAHLE-UHFFFAOYSA-N -1 3 411.361 3.640 20 5 HHBDHM COc1ccc(-c2csc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2)cc1 ZINC000474220305 995214840 /nfs/dbraw/zinc/21/48/40/995214840.db2.gz ZRSOONYNLDICRD-UHFFFAOYSA-N -1 3 410.498 3.872 20 5 HHBDHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000485134649 997519739 /nfs/dbraw/zinc/51/97/39/997519739.db2.gz QAOQSVALTSZQQD-UHFFFAOYSA-N -1 3 416.353 3.632 20 5 HHBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000485134649 997519755 /nfs/dbraw/zinc/51/97/55/997519755.db2.gz QAOQSVALTSZQQD-UHFFFAOYSA-N -1 3 416.353 3.632 20 5 HHBDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)o2)cs1 ZINC000477123163 997778632 /nfs/dbraw/zinc/77/86/32/997778632.db2.gz JCPYACUUNLFZHK-UHFFFAOYSA-N -1 3 413.864 3.752 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc2ccccc21 ZINC000477158101 997820146 /nfs/dbraw/zinc/82/01/46/997820146.db2.gz DVKWMOJPYYPRNH-CYBMUJFWSA-N -1 3 414.439 3.559 20 5 HHBDHM CCCCc1nc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C(=O)OCC)[n-]1 ZINC000485699341 998162641 /nfs/dbraw/zinc/16/26/41/998162641.db2.gz HBECFWZTUDUONP-LLVKDONJSA-N -1 3 406.414 3.719 20 5 HHBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000487331717 999137561 /nfs/dbraw/zinc/13/75/61/999137561.db2.gz CCCHNEZPUHSOEP-AWEZNQCLSA-N -1 3 405.259 3.568 20 5 HHBDHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000479987297 999675395 /nfs/dbraw/zinc/67/53/95/999675395.db2.gz CHEVOZYQDLCGNM-DOMZBBRYSA-N -1 3 424.441 3.876 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(-c2ccccc2F)n1 ZINC000490403473 999952261 /nfs/dbraw/zinc/95/22/61/999952261.db2.gz XLKJPPSCLXEWAB-UHFFFAOYSA-N -1 3 410.390 3.895 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC3(CCO)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000491196657 1000054419 /nfs/dbraw/zinc/05/44/19/1000054419.db2.gz CERXCNWHXXOFIH-UHFFFAOYSA-N -1 3 419.503 3.587 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)c(Cl)c1 ZINC000497993668 1001595333 /nfs/dbraw/zinc/59/53/33/1001595333.db2.gz PAUVEYONRWXKJE-SFHVURJKSA-N -1 3 421.837 3.850 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@]3(C)CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000498931744 1002329443 /nfs/dbraw/zinc/32/94/43/1002329443.db2.gz VCGNFZXRQUYVIE-FQEVSTJZSA-N -1 3 419.503 3.851 20 5 HHBDHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000512572026 1004393305 /nfs/dbraw/zinc/39/33/05/1004393305.db2.gz HLWKBZVEXYEUNL-UHFFFAOYSA-N -1 3 424.417 3.819 20 5 HHBDHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000513845855 1005156377 /nfs/dbraw/zinc/15/63/77/1005156377.db2.gz BWXKMDBPIQSSQA-JTQLQIEISA-N -1 3 411.892 3.767 20 5 HHBDHM COc1cc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)ccc1[N+](=O)[O-] ZINC000549998030 1009596010 /nfs/dbraw/zinc/59/60/10/1009596010.db2.gz MPPHKUBAMPSYIW-UHFFFAOYSA-N -1 3 421.656 3.820 20 5 HHBDHM COc1cc(C(=O)[N-]c2ncnc3oc(C)c(C)c32)c([N+](=O)[O-])cc1OC(F)F ZINC000522768816 1011205446 /nfs/dbraw/zinc/20/54/46/1011205446.db2.gz MPXWFNXCBSFWEB-UHFFFAOYSA-N -1 3 408.317 3.610 20 5 HHBDHM O=C(Nc1ccc(Br)cc1[O-])c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000540905708 1011577810 /nfs/dbraw/zinc/57/78/10/1011577810.db2.gz JSAWOSAOYDYYCV-UHFFFAOYSA-N -1 3 403.135 3.917 20 5 HHBDHM COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)ccc1[N+](=O)[O-] ZINC000479130909 1072741456 /nfs/dbraw/zinc/74/14/56/1072741456.db2.gz DZGKTHSLLTVMGL-UHFFFAOYSA-N -1 3 421.656 3.820 20 5 HHBDHM CC[C@](C)(CO)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301561603 970980293 /nfs/dbraw/zinc/98/02/93/970980293.db2.gz UYSMOVGMGBKKKR-LJQANCHMSA-N -1 3 407.492 3.585 20 5 HHBDHM CO[C@H]1CC[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1 ZINC000302779531 971316963 /nfs/dbraw/zinc/31/69/63/971316963.db2.gz QSYLGHQNUWDBGH-HOTGVXAUSA-N -1 3 419.503 3.992 20 5 HHBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302829786 971338488 /nfs/dbraw/zinc/33/84/88/971338488.db2.gz KBPWQXHKHHYITC-UHFFFAOYSA-N -1 3 416.865 3.777 20 5 HHBDHM O=C(Nc1ncccc1[O-])C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000022262987 963620683 /nfs/dbraw/zinc/62/06/83/963620683.db2.gz YQOYQUGHGAJZEW-UHFFFAOYSA-N -1 3 410.352 3.569 20 5 HHBDHM COc1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1[N+](=O)[O-] ZINC000053039021 965046571 /nfs/dbraw/zinc/04/65/71/965046571.db2.gz LEBMSICBBUNOTI-UHFFFAOYSA-N -1 3 419.865 3.813 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(OC(F)(F)F)cc1 ZINC000029965857 965577731 /nfs/dbraw/zinc/57/77/31/965577731.db2.gz ARUKAQRUPGOQHO-UHFFFAOYSA-N -1 3 410.757 3.625 20 5 HHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1C ZINC000072035785 968948274 /nfs/dbraw/zinc/94/82/74/968948274.db2.gz VZYACTHTEOEFCE-KRWDZBQOSA-N -1 3 416.459 3.740 20 5 HHBDHM O=C([O-])[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Oc1ccc(F)cc1 ZINC000426643693 974579556 /nfs/dbraw/zinc/57/95/56/974579556.db2.gz RMHXYVKZBWMCBZ-IBGZPJMESA-N -1 3 400.362 3.616 20 5 HHBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1Br ZINC000426793803 974664167 /nfs/dbraw/zinc/66/41/67/974664167.db2.gz OUMVORNZOJJXKR-HNNXBMFYSA-N -1 3 413.655 3.796 20 5 HHBDHM COc1cc(C(=O)[N-]c2c(SC)cnn2-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000429865393 977137355 /nfs/dbraw/zinc/13/73/55/977137355.db2.gz YJEMEPBABJEJTH-UHFFFAOYSA-N -1 3 414.443 3.772 20 5 HHBDHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432748294 978957898 /nfs/dbraw/zinc/95/78/98/978957898.db2.gz OVFKSBZHOBLXNR-UHFFFAOYSA-N -1 3 411.159 3.566 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3F)C2)c(C(F)(F)F)c1 ZINC000435593938 980953137 /nfs/dbraw/zinc/95/31/37/980953137.db2.gz UFZYGSVQVXFOLM-XYPYZODXSA-N -1 3 418.368 3.977 20 5 HHBDHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000436579616 981457210 /nfs/dbraw/zinc/45/72/10/981457210.db2.gz CWSQJLNWGAVPFV-UHFFFAOYSA-N -1 3 417.465 3.854 20 5 HHBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436951901 981642213 /nfs/dbraw/zinc/64/22/13/981642213.db2.gz HAKNGTVZWQOHMA-UHFFFAOYSA-N -1 3 407.411 3.807 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000437306942 981958376 /nfs/dbraw/zinc/95/83/76/981958376.db2.gz QCBXLIVRXKRLAU-UWVGGRQHSA-N -1 3 400.806 3.895 20 5 HHBDHM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc2N1Cc1ccccc1 ZINC000438593923 982926244 /nfs/dbraw/zinc/92/62/44/982926244.db2.gz WZYVCIQTLATEDX-HNNXBMFYSA-N -1 3 404.426 3.751 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000439230595 983320570 /nfs/dbraw/zinc/32/05/70/983320570.db2.gz BSGWMPAWMJZTGU-LLVKDONJSA-N -1 3 420.310 3.552 20 5 HHBDHM COCc1nc(C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(-c2ccccc2)s1 ZINC000440656178 983841173 /nfs/dbraw/zinc/84/11/73/983841173.db2.gz BPAPEMNVTSRKBG-UHFFFAOYSA-N -1 3 423.454 4.527 20 5 HHBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000462403540 985380443 /nfs/dbraw/zinc/38/04/43/985380443.db2.gz YUXPSLCOKJPNTR-CQSZACIVSA-N -1 3 405.259 3.568 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000443957419 986165058 /nfs/dbraw/zinc/16/50/58/986165058.db2.gz JJJYBQDLXBJFDS-CQSZACIVSA-N -1 3 418.393 3.884 20 5 HHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1 ZINC000444046494 986244192 /nfs/dbraw/zinc/24/41/92/986244192.db2.gz YVWQIONIMVQQST-UHFFFAOYSA-N -1 3 421.544 3.561 20 5 HHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2c[nH]nc2C)s1 ZINC000444465320 986648145 /nfs/dbraw/zinc/64/81/45/986648145.db2.gz PUADRYDUYMIQRH-UHFFFAOYSA-N -1 3 404.477 3.899 20 5 HHBDHM O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444862813 987019529 /nfs/dbraw/zinc/01/95/29/987019529.db2.gz WAJYYLNENDMBTE-UHFFFAOYSA-N -1 3 402.382 3.606 20 5 HHBDHM Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444989674 987118694 /nfs/dbraw/zinc/11/86/94/987118694.db2.gz HEZLFCIMNSXKNY-UHFFFAOYSA-N -1 3 421.388 3.949 20 5 HHBDHM Cc1ccc(-c2csc3[n-]c(Cn4ccc(C)c([N+](=O)[O-])c4=O)nc(=O)c23)s1 ZINC000471382204 989560572 /nfs/dbraw/zinc/56/05/72/989560572.db2.gz FEXGGDAOWTZMGC-UHFFFAOYSA-N -1 3 414.468 3.860 20 5 HHBDHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467794978 993030474 /nfs/dbraw/zinc/03/04/74/993030474.db2.gz AYMPQFJNODQFSF-FUHWJXTLSA-N -1 3 410.879 3.755 20 5 HHBDHM CC(C)CCSc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000482245475 995225929 /nfs/dbraw/zinc/22/59/29/995225929.db2.gz ZZPCQPBJCFPQFD-UHFFFAOYSA-N -1 3 417.413 3.800 20 5 HHBDHM O=c1[n-]c(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc2c1cnn2-c1ccccc1 ZINC000484508319 996837835 /nfs/dbraw/zinc/83/78/35/996837835.db2.gz VZIKTFMDXACAOE-UHFFFAOYSA-N -1 3 419.426 3.598 20 5 HHBDHM O=C(Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485359149 997782828 /nfs/dbraw/zinc/78/28/28/997782828.db2.gz CRHCAMGVJOQDAB-UHFFFAOYSA-N -1 3 407.361 3.554 20 5 HHBDHM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485408131 997840720 /nfs/dbraw/zinc/84/07/20/997840720.db2.gz DLPYKHGVDVNHHH-MUUNZHRXSA-N -1 3 403.460 3.529 20 5 HHBDHM Cc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c(Br)s1 ZINC000485743460 998214041 /nfs/dbraw/zinc/21/40/41/998214041.db2.gz MFBHMIMIUOWQGJ-UHFFFAOYSA-N -1 3 408.180 3.976 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2csc(-c3ccc(C)o3)n2)c(C)c([N+](=O)[O-])c1 ZINC000485952653 998395248 /nfs/dbraw/zinc/39/52/48/998395248.db2.gz DXCBGDCMVAXTFR-UHFFFAOYSA-N -1 3 401.400 3.967 20 5 HHBDHM CC(C)CCn1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C(C)C ZINC000486105899 998552960 /nfs/dbraw/zinc/55/29/60/998552960.db2.gz DKALDRLUXQQCAZ-UHFFFAOYSA-N -1 3 408.524 3.945 20 5 HHBDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])o2)cs1 ZINC000478146386 998786430 /nfs/dbraw/zinc/78/64/30/998786430.db2.gz VVMNIHIGRFLEKQ-UHFFFAOYSA-N -1 3 407.473 3.715 20 5 HHBDHM COc1cc(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2Cl)ccc1[N+](=O)[O-] ZINC000479268081 999356501 /nfs/dbraw/zinc/35/65/01/999356501.db2.gz BUQYZCMHNMOQDK-UHFFFAOYSA-N -1 3 413.864 3.976 20 5 HHBDHM CCC[C@](C)(O)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000488177084 999402840 /nfs/dbraw/zinc/40/28/40/999402840.db2.gz KXAGLMWMUWWHNQ-FQEVSTJZSA-N -1 3 421.519 3.975 20 5 HHBDHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000479987298 999675502 /nfs/dbraw/zinc/67/55/02/999675502.db2.gz CHEVOZYQDLCGNM-IUODEOHRSA-N -1 3 424.441 3.876 20 5 HHBDHM CCOC(=O)c1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)cc([N+](=O)[O-])c1 ZINC000490244844 999920392 /nfs/dbraw/zinc/92/03/92/999920392.db2.gz NCUDXZXHMKZAJW-WAYWQWQTSA-N -1 3 414.399 3.639 20 5 HHBDHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000497358946 1001308095 /nfs/dbraw/zinc/30/80/95/1001308095.db2.gz YPLGCVAIVTWDGF-UHFFFAOYSA-N -1 3 423.763 3.742 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000507460292 1002083790 /nfs/dbraw/zinc/08/37/90/1002083790.db2.gz ZGPQETBZOWNBJT-CYBMUJFWSA-N -1 3 400.403 3.934 20 5 HHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(C(=O)OC)cc1Cl ZINC000508111711 1002638721 /nfs/dbraw/zinc/63/87/21/1002638721.db2.gz WRZRBWINYWTLRW-UHFFFAOYSA-N -1 3 412.851 3.706 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C[C@H](C)OC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000502087609 1004896309 /nfs/dbraw/zinc/89/63/09/1004896309.db2.gz ITCDCARJSIISAY-CVEARBPZSA-N -1 3 419.503 3.626 20 5 HHBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CSc2nc3nncc-3c(O)[n-]2)cc1OC ZINC000513578673 1005033445 /nfs/dbraw/zinc/03/34/45/1005033445.db2.gz DRRXVVUAJKXSLY-JTQLQIEISA-N -1 3 419.463 3.693 20 5 HHBDHM Cc1ccc(C(=O)c2c([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc3c2CCC3)cc1 ZINC000502790441 1005218576 /nfs/dbraw/zinc/21/85/76/1005218576.db2.gz DCHXRORJYVAYKR-UHFFFAOYSA-N -1 3 410.455 3.670 20 5 HHBDHM O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3ncccc3[O-])CC2)s1 ZINC000516684347 1007231142 /nfs/dbraw/zinc/23/11/42/1007231142.db2.gz CCLFXGRTNVOXKO-UHFFFAOYSA-N -1 3 410.499 3.742 20 5 HHBDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000533006768 1007372390 /nfs/dbraw/zinc/37/23/90/1007372390.db2.gz VWOGFEMJIWWVFD-BXKDBHETSA-N -1 3 415.265 3.552 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)c(C(F)(F)F)c1 ZINC000533007171 1007373100 /nfs/dbraw/zinc/37/31/00/1007373100.db2.gz PDVVBEZOZWTKEV-LBPRGKRZSA-N -1 3 422.425 3.774 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000539221581 1007513702 /nfs/dbraw/zinc/51/37/02/1007513702.db2.gz ZRWXBMVGUZWCDW-BBRMVZONSA-N -1 3 417.270 3.710 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c(Br)c1 ZINC000533328530 1007638847 /nfs/dbraw/zinc/63/88/47/1007638847.db2.gz GWODPBSDNIVJMT-UHFFFAOYSA-N -1 3 411.233 3.582 20 5 HHBDHM Nc1c(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)cc(F)cc1[N+](=O)[O-] ZINC000517464369 1007688409 /nfs/dbraw/zinc/68/84/09/1007688409.db2.gz VDHPAGXFCOIAAC-UHFFFAOYSA-N -1 3 423.426 3.851 20 5 HHBDHM Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2[O-])ccc1[N+](=O)[O-] ZINC000533614834 1007916464 /nfs/dbraw/zinc/91/64/64/1007916464.db2.gz GWOLCEWIHJUOMW-INIZCTEOSA-N -1 3 403.822 3.506 20 5 HHBDHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000533920526 1008205733 /nfs/dbraw/zinc/20/57/33/1008205733.db2.gz KUTXSEMEOFYJAG-SECBINFHSA-N -1 3 422.406 3.615 20 5 HHBDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000518704273 1008398140 /nfs/dbraw/zinc/39/81/40/1008398140.db2.gz CZIQBSALVURAKL-OTYXRUKQSA-N -1 3 415.265 3.552 20 5 HHBDHM COC(=O)c1cc(C)nc2nc(S[C@H](C)c3cccc([N+](=O)[O-])c3)[n-]c(=O)c21 ZINC000519031510 1008505959 /nfs/dbraw/zinc/50/59/59/1008505959.db2.gz PQENSQUBHBVUJE-SNVBAGLBSA-N -1 3 400.416 3.587 20 5 HHBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000520872404 1009926403 /nfs/dbraw/zinc/92/64/03/1009926403.db2.gz NBOYJLCOTBYSQK-UHFFFAOYSA-N -1 3 409.620 3.951 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)c(Cl)c1 ZINC000521196909 1010223404 /nfs/dbraw/zinc/22/34/04/1010223404.db2.gz RJMURPXWVQLEIQ-AWEZNQCLSA-N -1 3 400.815 3.580 20 5 HHBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnccc1-c1cccc(F)c1 ZINC000540695513 1011348093 /nfs/dbraw/zinc/34/80/93/1011348093.db2.gz WAVOHFPBTHZDTP-UHFFFAOYSA-N -1 3 401.419 3.780 20 5 HHBDHM COC(=O)c1cc(C)nc2nc(SCc3ccc([N+](=O)[O-])cc3Cl)[n-]c(=O)c21 ZINC000542004984 1012886395 /nfs/dbraw/zinc/88/63/95/1012886395.db2.gz HDWPDRWDZNHHDB-UHFFFAOYSA-N -1 3 420.834 3.679 20 5 HHBDHM CO[C@@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1 ZINC000301154954 970776496 /nfs/dbraw/zinc/77/64/96/970776496.db2.gz MSMRYCTVOQIDGX-MRXNPFEDSA-N -1 3 419.503 3.628 20 5 HHBDHM COC(=O)/C=C/c1ccc(NCc2ccc([O-])c(Br)c2)c([N+](=O)[O-])c1 ZINC000301711769 971037719 /nfs/dbraw/zinc/03/77/19/971037719.db2.gz VJGVKEANZWWFSX-QPJJXVBHSA-N -1 3 407.220 3.861 20 5 HHBDHM COC1(CNc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])CCC1 ZINC000302006218 971151179 /nfs/dbraw/zinc/15/11/79/971151179.db2.gz ACOQAUWWTRYHDC-UHFFFAOYSA-N -1 3 419.503 3.993 20 5 HHBDHM O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ncccc1[O-] ZINC000022264804 963620660 /nfs/dbraw/zinc/62/06/60/963620660.db2.gz JTBIJPNWEQBKKO-UHFFFAOYSA-N -1 3 415.409 3.729 20 5 HHBDHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050335239 964312758 /nfs/dbraw/zinc/31/27/58/964312758.db2.gz AIKPQTVNOTXUGM-UHFFFAOYSA-N -1 3 406.427 3.610 20 5 HHBDHM Cc1ccc(-c2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)cc1[N+](=O)[O-] ZINC000028679812 965157300 /nfs/dbraw/zinc/15/73/00/965157300.db2.gz COOGCAHJZVESLI-OQLLNIDSSA-N -1 3 406.423 3.750 20 5 HHBDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000538118400 1013679952 /nfs/dbraw/zinc/67/99/52/1013679952.db2.gz CQERRJHYEUIJRW-NSHDSACASA-N -1 3 420.468 3.636 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000139830086 970048643 /nfs/dbraw/zinc/04/86/43/970048643.db2.gz ZCEXXUNSOMCIHI-UHFFFAOYSA-N -1 3 405.476 3.641 20 5 HHBDHM CCc1nc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000216129869 970063776 /nfs/dbraw/zinc/06/37/76/970063776.db2.gz QLPBGVIKNWNYDZ-UHFFFAOYSA-N -1 3 401.810 3.652 20 5 HHBDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cccc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000229927155 970133305 /nfs/dbraw/zinc/13/33/05/970133305.db2.gz MOHNVRCNBCDEEK-YRNVUSSQSA-N -1 3 405.819 3.725 20 5 HHBDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000427799131 975296134 /nfs/dbraw/zinc/29/61/34/975296134.db2.gz PQQVRBZKUDQDKY-LJQANCHMSA-N -1 3 402.428 3.573 20 5 HHBDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000427811314 975303045 /nfs/dbraw/zinc/30/30/45/975303045.db2.gz MDGXKRYITGPAKR-LJQANCHMSA-N -1 3 402.428 3.573 20 5 HHBDHM Nc1c(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)cc(F)cc1[N+](=O)[O-] ZINC000432588017 978901899 /nfs/dbraw/zinc/90/18/99/978901899.db2.gz NRHSBAMUNKWHRR-CYBMUJFWSA-N -1 3 413.434 3.888 20 5 HHBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000434379920 980126061 /nfs/dbraw/zinc/12/60/61/980126061.db2.gz NEKHXUBOGGZPKF-UHFFFAOYSA-N -1 3 404.220 3.540 20 5 HHBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000435692627 980989426 /nfs/dbraw/zinc/98/94/26/980989426.db2.gz HLTRXIRXAZTJKY-SFHVURJKSA-N -1 3 421.457 3.505 20 5 HHBDHM O=C(C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000436609190 981472284 /nfs/dbraw/zinc/47/22/84/981472284.db2.gz VSIWQXIRRSHENM-FQEVSTJZSA-N -1 3 405.410 3.800 20 5 HHBDHM CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436927823 981629473 /nfs/dbraw/zinc/62/94/73/981629473.db2.gz TULQGKDULCITDI-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436975062 981660324 /nfs/dbraw/zinc/66/03/24/981660324.db2.gz GHFNHRGZERKYOL-SFHVURJKSA-N -1 3 421.457 3.505 20 5 HHBDHM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461106716 982797055 /nfs/dbraw/zinc/79/70/55/982797055.db2.gz JEDIUQMVEJFUNQ-UHFFFAOYSA-N -1 3 413.293 3.959 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(-c3ccccn3)c2)c(Cl)c1 ZINC000438953494 983175418 /nfs/dbraw/zinc/17/54/18/983175418.db2.gz ZFQIXYRMRNLFEN-UHFFFAOYSA-N -1 3 403.847 3.789 20 5 HHBDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC ZINC000438972335 983187845 /nfs/dbraw/zinc/18/78/45/983187845.db2.gz WLDNANIDOKPHKB-UHFFFAOYSA-N -1 3 421.475 3.741 20 5 HHBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)c1 ZINC000442235465 984755998 /nfs/dbraw/zinc/75/59/98/984755998.db2.gz RLRAMIXPQVHSHD-UHFFFAOYSA-N -1 3 409.620 3.951 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000461791154 984780066 /nfs/dbraw/zinc/78/00/66/984780066.db2.gz MMKHNKATFSBAAV-UHFFFAOYSA-N -1 3 400.378 3.838 20 5 HHBDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000443010915 985334800 /nfs/dbraw/zinc/33/48/00/985334800.db2.gz FMJLHGLNPSIBFY-LLVKDONJSA-N -1 3 420.468 3.636 20 5 HHBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000462403539 985380562 /nfs/dbraw/zinc/38/05/62/985380562.db2.gz YUXPSLCOKJPNTR-AWEZNQCLSA-N -1 3 405.259 3.568 20 5 HHBDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1nc(C(F)(F)F)cs1 ZINC000466876859 992198370 /nfs/dbraw/zinc/19/83/70/992198370.db2.gz JLXCKXLYGFDHLP-SECBINFHSA-N -1 3 409.411 3.808 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N[C@H](C)c3cnccn3)cc2)cc1[N+](=O)[O-] ZINC000466993165 992302572 /nfs/dbraw/zinc/30/25/72/992302572.db2.gz WVCHZAWPTJZBCK-CQSZACIVSA-N -1 3 413.459 3.667 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N[C@@H](C)c3cnccn3)cc2)cc1[N+](=O)[O-] ZINC000466993164 992302908 /nfs/dbraw/zinc/30/29/08/992302908.db2.gz WVCHZAWPTJZBCK-AWEZNQCLSA-N -1 3 413.459 3.667 20 5 HHBDHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467786194 993023197 /nfs/dbraw/zinc/02/31/97/993023197.db2.gz IBWLUMXVXSWAQI-QAPCUYQASA-N -1 3 410.879 3.755 20 5 HHBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481918264 994790717 /nfs/dbraw/zinc/79/07/17/994790717.db2.gz GLXUUJLJNGCJQA-UHFFFAOYSA-N -1 3 403.386 3.554 20 5 HHBDHM O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000482744254 995719798 /nfs/dbraw/zinc/71/97/98/995719798.db2.gz XHDBZQPFAPTTNL-UHFFFAOYSA-N -1 3 423.816 3.999 20 5 HHBDHM Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484529821 996862152 /nfs/dbraw/zinc/86/21/52/996862152.db2.gz LGGMHXBZPIQFMV-UHFFFAOYSA-N -1 3 407.386 3.900 20 5 HHBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc(C)o1 ZINC000480020937 999689648 /nfs/dbraw/zinc/68/96/48/999689648.db2.gz OPRWWFRFJJFPBE-ZDUSSCGKSA-N -1 3 422.381 3.571 20 5 HHBDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480630697 999845437 /nfs/dbraw/zinc/84/54/37/999845437.db2.gz NDLKFNQXFVTVIP-HXUWFJFHSA-N -1 3 411.483 3.983 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cnc(-c2ccccc2F)s1 ZINC000490340202 999940399 /nfs/dbraw/zinc/94/03/99/999940399.db2.gz ACKYMNWGJBMYTK-UHFFFAOYSA-N -1 3 410.390 3.895 20 5 HHBDHM Cc1nc(S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[n-]c1-c1ccccc1 ZINC000490465719 999962041 /nfs/dbraw/zinc/96/20/41/999962041.db2.gz RJWJJTUAOPKXLM-UHFFFAOYSA-N -1 3 424.438 3.922 20 5 HHBDHM Cc1[n-]c(S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nc1-c1ccccc1 ZINC000490465719 999962042 /nfs/dbraw/zinc/96/20/42/999962042.db2.gz RJWJJTUAOPKXLM-UHFFFAOYSA-N -1 3 424.438 3.922 20 5 HHBDHM COc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)[n-]1 ZINC000490709340 999995745 /nfs/dbraw/zinc/99/57/45/999995745.db2.gz KJJAUWJZVLGHEP-UHFFFAOYSA-N -1 3 405.823 3.778 20 5 HHBDHM COc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n[n-]1 ZINC000490709340 999995747 /nfs/dbraw/zinc/99/57/47/999995747.db2.gz KJJAUWJZVLGHEP-UHFFFAOYSA-N -1 3 405.823 3.778 20 5 HHBDHM COc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 ZINC000490709340 999995750 /nfs/dbraw/zinc/99/57/50/999995750.db2.gz KJJAUWJZVLGHEP-UHFFFAOYSA-N -1 3 405.823 3.778 20 5 HHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508067219 1002588875 /nfs/dbraw/zinc/58/88/75/1002588875.db2.gz IKYHTPDDVOEJOJ-INIZCTEOSA-N -1 3 413.377 3.966 20 5 HHBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509241887 1003648241 /nfs/dbraw/zinc/64/82/41/1003648241.db2.gz XHCIIHKGHHHMGU-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000511878470 1003857290 /nfs/dbraw/zinc/85/72/90/1003857290.db2.gz KITXLUNPXXNVSZ-UHFFFAOYSA-N -1 3 424.906 3.583 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000511921619 1003894532 /nfs/dbraw/zinc/89/45/32/1003894532.db2.gz IHUUBNOFMIOAEI-SNVBAGLBSA-N -1 3 404.366 3.662 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000510660252 1004785228 /nfs/dbraw/zinc/78/52/28/1004785228.db2.gz UNESPBQAQJQKOV-SECBINFHSA-N -1 3 403.229 3.536 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Oc2ccccc2)nc1 ZINC000503979277 1005524670 /nfs/dbraw/zinc/52/46/70/1005524670.db2.gz CZXUGIFIYYIXRT-UHFFFAOYSA-N -1 3 419.846 3.914 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000515756990 1006646958 /nfs/dbraw/zinc/64/69/58/1006646958.db2.gz KRLXOVYEHQFHJR-CYBMUJFWSA-N -1 3 404.366 3.575 20 5 HHBDHM CCOC(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c([O-])c1 ZINC000538870949 1007149946 /nfs/dbraw/zinc/14/99/46/1007149946.db2.gz GWYMVGPTNNOAMX-UHFFFAOYSA-N -1 3 408.794 3.538 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)c(C(F)(F)F)c1 ZINC000533007170 1007372420 /nfs/dbraw/zinc/37/24/20/1007372420.db2.gz PDVVBEZOZWTKEV-GFCCVEGCSA-N -1 3 422.425 3.774 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccnc2)c(Cl)c1 ZINC000518423653 1008299417 /nfs/dbraw/zinc/29/94/17/1008299417.db2.gz MIUNHYJGTFISAU-SFHVURJKSA-N -1 3 403.847 3.711 20 5 HHBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000518688083 1008392684 /nfs/dbraw/zinc/39/26/84/1008392684.db2.gz UJGIDHMLMFGWSQ-UHFFFAOYSA-N -1 3 409.620 3.951 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCC[C@@H]3CF)c([N+](=O)[O-])c2)c(C)c1 ZINC000549248003 1008819321 /nfs/dbraw/zinc/81/93/21/1008819321.db2.gz HMSAKYBVBKZKGQ-OAHLLOKOSA-N -1 3 407.467 3.951 20 5 HHBDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000543672627 1009284428 /nfs/dbraw/zinc/28/44/28/1009284428.db2.gz OEUCDSSSOIOPAM-HXUWFJFHSA-N -1 3 416.455 3.881 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3cccc(F)c3)nc2)c(F)c1 ZINC000520784141 1009852829 /nfs/dbraw/zinc/85/28/29/1009852829.db2.gz WTMVTAMWEZCZQQ-UHFFFAOYSA-N -1 3 421.381 3.539 20 5 HHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000520957957 1010005482 /nfs/dbraw/zinc/00/54/82/1010005482.db2.gz MYLBSLPMGBHMAX-KRWDZBQOSA-N -1 3 416.459 3.686 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520972324 1010015571 /nfs/dbraw/zinc/01/55/71/1010015571.db2.gz LHOXWZAAZLCWJB-UHFFFAOYSA-N -1 3 406.171 3.534 20 5 HHBDHM Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)c(=O)[n-]1 ZINC000544589140 1010215837 /nfs/dbraw/zinc/21/58/37/1010215837.db2.gz RACLYJVNMREZJJ-UHFFFAOYSA-N -1 3 402.476 3.611 20 5 HHBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000545251642 1010704923 /nfs/dbraw/zinc/70/49/23/1010704923.db2.gz ZJGIGARUBRWRSS-UHFFFAOYSA-N -1 3 401.350 3.952 20 5 HHBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cccc2c1CN(c1nccs1)C2 ZINC000545379663 1010762868 /nfs/dbraw/zinc/76/28/68/1010762868.db2.gz ZREUERAYZJLJCY-UHFFFAOYSA-N -1 3 416.484 3.513 20 5 HHBDHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc([N+](=O)[O-])c1C ZINC000522511154 1011056880 /nfs/dbraw/zinc/05/68/80/1011056880.db2.gz GLPQVGTUFUOYIM-UHFFFAOYSA-N -1 3 416.814 3.673 20 5 HHBDHM COc1ccccc1[C@H]([N-]c1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])c1ccccn1 ZINC000760271079 1071814108 /nfs/dbraw/zinc/81/41/08/1071814108.db2.gz UZKHXMSYPGTRPF-IBGZPJMESA-N -1 3 424.413 3.909 20 5 HHBDHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1nnn(C2CC2)c1C(F)(F)F ZINC000586835977 1072449084 /nfs/dbraw/zinc/44/90/84/1072449084.db2.gz QNMGEYNOPLYCDA-UHFFFAOYSA-N -1 3 420.145 3.555 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(F)c(C(F)(F)F)cc2F)c(F)c1 ZINC000588138998 1072838062 /nfs/dbraw/zinc/83/80/62/1072838062.db2.gz LCTRMRSLJBJBPN-UHFFFAOYSA-N -1 3 414.283 3.509 20 5 HHBDHM Cc1c(F)cccc1S(=O)(=O)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001212171500 1074756447 /nfs/dbraw/zinc/75/64/47/1074756447.db2.gz IKGQVLASQSQLLL-CQSZACIVSA-N -1 3 410.320 3.763 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3c(F)cccc3F)CCC2)c(Cl)c1 ZINC001212172103 1075118095 /nfs/dbraw/zinc/11/80/95/1075118095.db2.gz VIKXNRWVFHKXSN-UHFFFAOYSA-N -1 3 416.833 3.927 20 5 HHBDHM CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)CC(F)(F)F ZINC001212184408 1075665884 /nfs/dbraw/zinc/66/58/84/1075665884.db2.gz HPGIZRVAQCCWBP-MRVPVSSYSA-N -1 3 419.219 3.614 20 5 HHBDHM CO[C@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1 ZINC000301154952 970776707 /nfs/dbraw/zinc/77/67/07/970776707.db2.gz MSMRYCTVOQIDGX-INIZCTEOSA-N -1 3 419.503 3.628 20 5 HHBDHM COC(C)(C)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301472959 970946369 /nfs/dbraw/zinc/94/63/69/970946369.db2.gz UTAMZSUVZVFSNJ-UHFFFAOYSA-N -1 3 407.492 3.849 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC3(CO)CCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301576930 970987410 /nfs/dbraw/zinc/98/74/10/970987410.db2.gz NWGUPWUCDRMNSG-UHFFFAOYSA-N -1 3 419.503 3.729 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](C)C[C@H](C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000542121558 1013055658 /nfs/dbraw/zinc/05/56/58/1013055658.db2.gz NFMMULGUGGKGKN-CABCVRRESA-N -1 3 407.492 3.584 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CC[C@H](O)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301785510 971065257 /nfs/dbraw/zinc/06/52/57/971065257.db2.gz VPNIRNLHMWQNEB-WKILWMFISA-N -1 3 419.503 3.728 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2csc(-c3ccccc3F)n2)cc([N+](=O)[O-])c1 ZINC000303736112 971989589 /nfs/dbraw/zinc/98/95/89/971989589.db2.gz XCLFXNNZNCQJSY-UHFFFAOYSA-N -1 3 401.375 3.896 20 5 HHBDHM COc1cc([C@@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)c([N+](=O)[O-])cc1[O-] ZINC000028924015 965217735 /nfs/dbraw/zinc/21/77/35/965217735.db2.gz SGPDBTSIAIUIBK-HXUWFJFHSA-N -1 3 409.398 3.693 20 5 HHBDHM COC1CCN(c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 ZINC000053896919 965307735 /nfs/dbraw/zinc/30/77/35/965307735.db2.gz KXBCSLRMUALVRW-UHFFFAOYSA-N -1 3 419.503 3.628 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(Cl)c1 ZINC000056137637 966230289 /nfs/dbraw/zinc/23/02/89/966230289.db2.gz BTJAANNKZFVNKL-DOTOQJQBSA-N -1 3 414.842 3.586 20 5 HHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000542729114 1013640764 /nfs/dbraw/zinc/64/07/64/1013640764.db2.gz OSBBXKZXGCVRSK-QGZVFWFLSA-N -1 3 416.459 3.740 20 5 HHBDHM COc1cc(CNc2nnc(-c3cc4c(s3)CCCC4)o2)c([N+](=O)[O-])cc1[O-] ZINC000542763040 1013668107 /nfs/dbraw/zinc/66/81/07/1013668107.db2.gz QDQAHSLNZVGADT-UHFFFAOYSA-N -1 3 402.432 3.911 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCSCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301110079 970753355 /nfs/dbraw/zinc/75/33/55/970753355.db2.gz XVRACQLQEMFRSW-UHFFFAOYSA-N -1 3 421.544 3.956 20 5 HHBDHM COc1c(F)cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1[N+](=O)[O-] ZINC000410421171 974018900 /nfs/dbraw/zinc/01/89/00/974018900.db2.gz RSYOQBJTNCUKBY-UHFFFAOYSA-N -1 3 413.185 3.989 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(OC(F)(F)F)cc3s2)n1 ZINC000427127773 974925548 /nfs/dbraw/zinc/92/55/48/974925548.db2.gz XGJXBJWFAIKAJB-UHFFFAOYSA-N -1 3 401.326 3.572 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(Br)c(F)cc1F ZINC000430547836 977625458 /nfs/dbraw/zinc/62/54/58/977625458.db2.gz AQCQOZZVOIYAIJ-UHFFFAOYSA-N -1 3 424.161 3.673 20 5 HHBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000431918355 978600275 /nfs/dbraw/zinc/60/02/75/978600275.db2.gz HJOAPHCEFMQDLJ-HOCLYGCPSA-N -1 3 423.922 3.580 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CCOC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000432868316 978996538 /nfs/dbraw/zinc/99/65/38/978996538.db2.gz YHFOZXHNLYSLIE-NVXWUHKLSA-N -1 3 419.503 3.849 20 5 HHBDHM CSc1ccc(NC(=O)Cn2cc([N-]c3ncc(Cl)cc3[N+](=O)[O-])cn2)cc1 ZINC000434960314 980532923 /nfs/dbraw/zinc/53/29/23/980532923.db2.gz RGVUSSHOKDOYDO-UHFFFAOYSA-N -1 3 418.866 3.944 20 5 HHBDHM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000436982523 981665876 /nfs/dbraw/zinc/66/58/76/981665876.db2.gz UUBXESUMFFQLEI-KRWDZBQOSA-N -1 3 421.457 3.505 20 5 HHBDHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436994114 981673967 /nfs/dbraw/zinc/67/39/67/981673967.db2.gz AWOQPRUOTPIGSQ-SFHVURJKSA-N -1 3 421.457 3.505 20 5 HHBDHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000442932198 985286619 /nfs/dbraw/zinc/28/66/19/985286619.db2.gz XLKFEVKSWMNLMX-UHFFFAOYSA-N -1 3 408.292 3.637 20 5 HHBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1cccc(Cl)c1 ZINC000462706853 985650068 /nfs/dbraw/zinc/65/00/68/985650068.db2.gz CUUIVHZGRPEHPW-SNVBAGLBSA-N -1 3 405.259 3.647 20 5 HHBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1Cl ZINC000462710345 985655324 /nfs/dbraw/zinc/65/53/24/985655324.db2.gz FMHODKKSSVYIGQ-JTQLQIEISA-N -1 3 405.259 3.647 20 5 HHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1C ZINC000444038297 986236295 /nfs/dbraw/zinc/23/62/95/986236295.db2.gz XZDKKQSWECGRPB-UHFFFAOYSA-N -1 3 421.544 3.561 20 5 HHBDHM CCc1sc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccc(OC)cc1 ZINC000445170095 987256106 /nfs/dbraw/zinc/25/61/06/987256106.db2.gz BHLNLMRUPOPJPB-UHFFFAOYSA-N -1 3 400.416 3.642 20 5 HHBDHM O=C(Nc1ccc(OCc2ccccn2)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445184838 987265249 /nfs/dbraw/zinc/26/52/49/987265249.db2.gz PSKHMNQXKJUJPE-UHFFFAOYSA-N -1 3 400.778 3.575 20 5 HHBDHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000467794980 993030247 /nfs/dbraw/zinc/03/02/47/993030247.db2.gz AYMPQFJNODQFSF-SJLPKXTDSA-N -1 3 410.879 3.755 20 5 HHBDHM O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000473356171 994217379 /nfs/dbraw/zinc/21/73/79/994217379.db2.gz JTDFHCXZKHQNIZ-UHFFFAOYSA-N -1 3 422.113 3.609 20 5 HHBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c1 ZINC000482160357 995116628 /nfs/dbraw/zinc/11/66/28/995116628.db2.gz ACJKCNGQDQEFET-UHFFFAOYSA-N -1 3 403.851 3.862 20 5 HHBDHM Cc1sc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccc(OC(F)F)cc1 ZINC000484243341 996655442 /nfs/dbraw/zinc/65/54/42/996655442.db2.gz DXUAAMQKAISMBI-UHFFFAOYSA-N -1 3 422.369 3.981 20 5 HHBDHM O=C([N-]c1nc(-c2cc(Br)cs2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000486767248 998931423 /nfs/dbraw/zinc/93/14/23/998931423.db2.gz FGOLPJVXXYPNEX-UHFFFAOYSA-N -1 3 400.239 3.518 20 5 HHBDHM CCc1nc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)sc1C(=O)OC ZINC000486918494 999006545 /nfs/dbraw/zinc/00/65/45/999006545.db2.gz AQBHCORBOAXALF-UHFFFAOYSA-N -1 3 403.338 3.671 20 5 HHBDHM O=C([N-]c1nc(-c2sccc2Br)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000480500446 999812462 /nfs/dbraw/zinc/81/24/62/999812462.db2.gz SBTURUVAISRHPO-UHFFFAOYSA-N -1 3 400.239 3.518 20 5 HHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000493277422 1000166700 /nfs/dbraw/zinc/16/67/00/1000166700.db2.gz QPDAEQVBUQJIJP-SECBINFHSA-N -1 3 406.794 3.889 20 5 HHBDHM CSc1cc2c(cc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)OCCO2 ZINC000498227544 1001713018 /nfs/dbraw/zinc/71/30/18/1001713018.db2.gz IWCSMZULBGGUBA-UHFFFAOYSA-N -1 3 412.370 3.942 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 ZINC000507501508 1002114379 /nfs/dbraw/zinc/11/43/79/1002114379.db2.gz FIPOXHBBOLHNQB-LLVKDONJSA-N -1 3 410.402 3.688 20 5 HHBDHM O=C([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000499043700 1002423841 /nfs/dbraw/zinc/42/38/41/1002423841.db2.gz VHUBKOOYFRORSI-UHFFFAOYSA-N -1 3 408.805 3.689 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507922739 1002456689 /nfs/dbraw/zinc/45/66/89/1002456689.db2.gz UVWOZRWNDIEMNY-ZDUSSCGKSA-N -1 3 422.356 3.715 20 5 HHBDHM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000509545060 1003935774 /nfs/dbraw/zinc/93/57/74/1003935774.db2.gz YDMOITCWCVBHEP-UHFFFAOYSA-N -1 3 411.867 3.529 20 5 HHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccc(F)c1F ZINC000501157426 1004242162 /nfs/dbraw/zinc/24/21/62/1004242162.db2.gz JZSDKXDYGUWERK-QMMMGPOBSA-N -1 3 410.320 3.931 20 5 HHBDHM CCN(CC(C)(C)O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000510637528 1004769680 /nfs/dbraw/zinc/76/96/80/1004769680.db2.gz HURBRCGMHCFIRR-UHFFFAOYSA-N -1 3 421.519 3.610 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c(C(F)(F)F)c1 ZINC000532614574 1007040519 /nfs/dbraw/zinc/04/05/19/1007040519.db2.gz XIKFSBUQNBARSY-UHFFFAOYSA-N -1 3 400.334 3.838 20 5 HHBDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000533465667 1007775602 /nfs/dbraw/zinc/77/56/02/1007775602.db2.gz TWKMTOMIBDDDIR-BXKDBHETSA-N -1 3 404.366 3.809 20 5 HHBDHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000517971392 1008078727 /nfs/dbraw/zinc/07/87/27/1008078727.db2.gz QMBDRUKCLANGTB-UHFFFAOYSA-N -1 3 415.427 3.858 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000540320706 1008378674 /nfs/dbraw/zinc/37/86/74/1008378674.db2.gz JAZOJDPWSCBMJX-HOCLYGCPSA-N -1 3 417.270 3.710 20 5 HHBDHM CC[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])C(C)(C)O ZINC000549221810 1008791936 /nfs/dbraw/zinc/79/19/36/1008791936.db2.gz CBODDTHUBZYCST-LJQANCHMSA-N -1 3 421.519 3.974 20 5 HHBDHM COC(=O)c1sc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc1C1CCCC1 ZINC000546046307 1009070053 /nfs/dbraw/zinc/07/00/53/1009070053.db2.gz CYLVOWJEWPWUNN-UHFFFAOYSA-N -1 3 407.452 3.594 20 5 HHBDHM CC(C)OCCOCc1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000543945872 1009539965 /nfs/dbraw/zinc/53/99/65/1009539965.db2.gz OPJWJTUVTVAXDH-UHFFFAOYSA-N -1 3 414.505 3.745 20 5 HHBDHM COCC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000551225812 1010449707 /nfs/dbraw/zinc/44/97/07/1010449707.db2.gz YWXLBKJCMWSWRR-AWEZNQCLSA-N -1 3 419.286 3.958 20 5 HHBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000522018087 1010758388 /nfs/dbraw/zinc/75/83/88/1010758388.db2.gz ISFFOTUKCXLICW-UHFFFAOYSA-N -1 3 403.229 3.860 20 5 HHBDHM CCCOc1cc([N-]C(=O)c2ccc(C(N)=O)s2)c([N+](=O)[O-])cc1OCCC ZINC000524184262 1012985071 /nfs/dbraw/zinc/98/50/71/1012985071.db2.gz FAWFAQDSAFUGTF-UHFFFAOYSA-N -1 3 407.448 3.585 20 5 HHBDHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2(CO)CCCC2)c([N+](=O)[O-])s1 ZINC001212091224 1072066398 /nfs/dbraw/zinc/06/63/98/1072066398.db2.gz IDSPVXPXTUOBDT-MRXNPFEDSA-N -1 3 410.517 3.537 20 5 HHBDHM CC[C@@H](C)[C@@H](O)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000488217057 1072131831 /nfs/dbraw/zinc/13/18/31/1072131831.db2.gz JXAMEJHTPOZILJ-VLIAUNLRSA-N -1 3 421.519 3.831 20 5 HHBDHM CCOc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1[N+](=O)[O-] ZINC001625999318 1072846664 /nfs/dbraw/zinc/84/66/64/1072846664.db2.gz PMYDWUPGCQMMLV-UHFFFAOYSA-N -1 3 410.224 3.783 20 5 HHBDHM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC000590558543 1073912736 /nfs/dbraw/zinc/91/27/36/1073912736.db2.gz SRVYOIFJWBJNGN-UHFFFAOYSA-N -1 3 420.381 4.230 20 5 HHBDHM O=C(C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000301159889 970779689 /nfs/dbraw/zinc/77/96/89/970779689.db2.gz GYRQBZUGXXXCAC-UHFFFAOYSA-N -1 3 424.335 3.519 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@]3(C)CCCO3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301582277 970989522 /nfs/dbraw/zinc/98/95/22/970989522.db2.gz UGEABJAWIVWJFC-FQEVSTJZSA-N -1 3 419.503 3.993 20 5 HHBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1ccc([O-])c(Br)c1 ZINC000301706841 971035715 /nfs/dbraw/zinc/03/57/15/971035715.db2.gz SMPWSHPRRRPTNM-UHFFFAOYSA-N -1 3 403.030 3.833 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000542121559 1013056208 /nfs/dbraw/zinc/05/62/08/1013056208.db2.gz NFMMULGUGGKGKN-GJZGRUSLSA-N -1 3 407.492 3.584 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)[C@@H]3CCSC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301847184 971084189 /nfs/dbraw/zinc/08/41/89/971084189.db2.gz NEKUWSROTHXWHN-OAHLLOKOSA-N -1 3 421.544 3.954 20 5 HHBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cc(F)c(N3CCCC3)c(F)c2)s1 ZINC000302205049 971206488 /nfs/dbraw/zinc/20/64/88/971206488.db2.gz WRISWGKXPNHJDZ-UHFFFAOYSA-N -1 3 403.432 3.682 20 5 HHBDHM O=C(Nc1cccc(C[S@@](=O)C2CCCCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303672341 971950667 /nfs/dbraw/zinc/95/06/67/971950667.db2.gz KAKGQNWOWGWEPT-MUUNZHRXSA-N -1 3 403.460 3.529 20 5 HHBDHM CO[C@H]1C[C@@H](N(C)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1 ZINC000553261209 1013228732 /nfs/dbraw/zinc/22/87/32/1013228732.db2.gz RJXBCNAQFLLIHU-IYBDPMFKSA-N -1 3 419.503 3.626 20 5 HHBDHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050335237 964312607 /nfs/dbraw/zinc/31/26/07/964312607.db2.gz NILZJOUKBVOMAC-UHFFFAOYSA-N -1 3 406.427 3.610 20 5 HHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnc(Oc2ccccc2)cn1 ZINC000538048452 1013620988 /nfs/dbraw/zinc/62/09/88/1013620988.db2.gz MNCBKAMFQYLEBP-UHFFFAOYSA-N -1 3 408.370 3.591 20 5 HHBDHM CC[C@](C)(O)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000060349518 966102803 /nfs/dbraw/zinc/10/28/03/966102803.db2.gz IGEOKLYSYXYCQA-IBGZPJMESA-N -1 3 407.492 3.585 20 5 HHBDHM COc1cc(C)c([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000056058645 966197127 /nfs/dbraw/zinc/19/71/27/966197127.db2.gz WCQHVWFHFFWRJC-LLVKDONJSA-N -1 3 414.867 3.613 20 5 HHBDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1OC ZINC000553904925 1013690149 /nfs/dbraw/zinc/69/01/49/1013690149.db2.gz HKAQRVQGYFSOGH-NSHDSACASA-N -1 3 414.867 3.613 20 5 HHBDHM COC(=O)c1cc(C(=O)[N-]c2n[nH]c(-c3cccc4ccccc43)n2)cc([N+](=O)[O-])c1 ZINC000145831583 970273531 /nfs/dbraw/zinc/27/35/31/970273531.db2.gz FUQJOFJQGSPOMF-UHFFFAOYSA-N -1 3 417.381 3.572 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)cc1 ZINC000410396055 973995358 /nfs/dbraw/zinc/99/53/58/973995358.db2.gz GDNCSTACINJSSJ-UHFFFAOYSA-N -1 3 409.620 3.951 20 5 HHBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1Br ZINC000426808754 974676735 /nfs/dbraw/zinc/67/67/35/974676735.db2.gz NTALZPZMYVOMJY-AWEZNQCLSA-N -1 3 413.655 3.796 20 5 HHBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC000429847326 977119642 /nfs/dbraw/zinc/11/96/42/977119642.db2.gz GAPFWXMSYUQBSM-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000434408157 980151388 /nfs/dbraw/zinc/15/13/88/980151388.db2.gz VPYDSRDDUDILMO-GOSISDBHSA-N -1 3 421.457 3.505 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000435441460 980864587 /nfs/dbraw/zinc/86/45/87/980864587.db2.gz FUFNPGIBAUJTLG-JSGCOSHPSA-N -1 3 404.341 3.587 20 5 HHBDHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000436699528 981520071 /nfs/dbraw/zinc/52/00/71/981520071.db2.gz USLSUHSBBGIHME-UHFFFAOYSA-N -1 3 407.426 3.518 20 5 HHBDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000436958860 981647981 /nfs/dbraw/zinc/64/79/81/981647981.db2.gz DUOKNTIWONKSJG-LBPRGKRZSA-N -1 3 424.413 3.649 20 5 HHBDHM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437106830 981764913 /nfs/dbraw/zinc/76/49/13/981764913.db2.gz XLBVHQKUHCKWCT-UHFFFAOYSA-N -1 3 400.260 3.822 20 5 HHBDHM COc1cc(C(=O)[N-]c2cc(-c3ccccc3)on2)c([N+](=O)[O-])cc1OC(F)F ZINC000461647097 984666861 /nfs/dbraw/zinc/66/68/61/984666861.db2.gz OHMHOZZJCQIHBN-UHFFFAOYSA-N -1 3 405.313 4.112 20 5 HHBDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000443010919 985335164 /nfs/dbraw/zinc/33/51/64/985335164.db2.gz FMJLHGLNPSIBFY-NSHDSACASA-N -1 3 420.468 3.636 20 5 HHBDHM COC(=O)c1cc([N-]C(=O)c2sc(C(F)(F)F)nc2C)c(C)c([N+](=O)[O-])c1 ZINC000462554668 985502677 /nfs/dbraw/zinc/50/26/77/985502677.db2.gz UEFQORMIRXBQAN-UHFFFAOYSA-N -1 3 403.338 3.726 20 5 HHBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000462699154 985640939 /nfs/dbraw/zinc/64/09/39/985640939.db2.gz DJSSPIZOONBDIT-JTQLQIEISA-N -1 3 405.259 3.647 20 5 HHBDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1Cl ZINC000443970488 986177359 /nfs/dbraw/zinc/17/73/59/986177359.db2.gz IROCPDHMDQZRGK-UHFFFAOYSA-N -1 3 415.258 3.565 20 5 HHBDHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467786192 993023336 /nfs/dbraw/zinc/02/33/36/993023336.db2.gz IBWLUMXVXSWAQI-CRAIPNDOSA-N -1 3 410.879 3.755 20 5 HHBDHM Cc1ccc([C@H](C)NC(=O)NCc2ccc([O-])c(Br)c2)cc1[N+](=O)[O-] ZINC000482594701 995596209 /nfs/dbraw/zinc/59/62/09/995596209.db2.gz SZLCZUOEDUBENH-NSHDSACASA-N -1 3 408.252 3.932 20 5 HHBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1F ZINC000485193121 997571884 /nfs/dbraw/zinc/57/18/84/997571884.db2.gz QDJKPLVKJRAXIJ-UHFFFAOYSA-N -1 3 402.256 3.513 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3cc(OC(F)F)ccc32)c(F)c1 ZINC000477247259 997921069 /nfs/dbraw/zinc/92/10/69/997921069.db2.gz IHFUAPXMGCVFEO-HNNXBMFYSA-N -1 3 416.377 3.691 20 5 HHBDHM CCc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccccc1C ZINC000480195211 999741640 /nfs/dbraw/zinc/74/16/40/999741640.db2.gz BOFOZCRVNCVMDT-UHFFFAOYSA-N -1 3 414.487 3.636 20 5 HHBDHM CC[C@H](c1nnc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1)c1ccccc1 ZINC000489379513 999754811 /nfs/dbraw/zinc/75/48/11/999754811.db2.gz MIHZLFZYQCCIQV-ZDUSSCGKSA-N -1 3 412.427 3.969 20 5 HHBDHM CCOC(=O)c1c([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])sc2c1CCCC2 ZINC000480331267 999773323 /nfs/dbraw/zinc/77/33/23/999773323.db2.gz SGOUSTNMNHSBIY-UHFFFAOYSA-N -1 3 406.464 3.811 20 5 HHBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2ccc(C)cc2)c2ccccn2)cc1[N+](=O)[O-] ZINC000480624325 999843792 /nfs/dbraw/zinc/84/37/92/999843792.db2.gz KKAJVSCSKMWETG-GOSISDBHSA-N -1 3 403.485 3.736 20 5 HHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000494128176 1000320486 /nfs/dbraw/zinc/32/04/86/1000320486.db2.gz SYKOLZCALCXMGU-UHFFFAOYSA-N -1 3 400.416 3.622 20 5 HHBDHM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498298652 1001765307 /nfs/dbraw/zinc/76/53/07/1001765307.db2.gz VFAFGHNLSWGYND-UHFFFAOYSA-N -1 3 409.402 3.977 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507922738 1002456546 /nfs/dbraw/zinc/45/65/46/1002456546.db2.gz UVWOZRWNDIEMNY-CYBMUJFWSA-N -1 3 422.356 3.715 20 5 HHBDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000508108741 1002634610 /nfs/dbraw/zinc/63/46/10/1002634610.db2.gz FXMGBJDUPVTMGM-UHFFFAOYSA-N -1 3 412.851 3.761 20 5 HHBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509205672 1003623345 /nfs/dbraw/zinc/62/33/45/1003623345.db2.gz MTJROPBNUDKXOW-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM CCOC(=O)c1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)cc([N+](=O)[O-])c1 ZINC000515872024 1006727801 /nfs/dbraw/zinc/72/78/01/1006727801.db2.gz YJUFFUDPIBPQCQ-UHFFFAOYSA-N -1 3 404.429 3.604 20 5 HHBDHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000532697378 1007113689 /nfs/dbraw/zinc/11/36/89/1007113689.db2.gz POIROOJJIXMBOW-UHFFFAOYSA-N -1 3 412.427 3.526 20 5 HHBDHM Cc1c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cccc1[N+](=O)[O-] ZINC000533160118 1007499050 /nfs/dbraw/zinc/49/90/50/1007499050.db2.gz OUMGFLQRIPJCAI-UHFFFAOYSA-N -1 3 417.849 3.753 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000539221582 1007513988 /nfs/dbraw/zinc/51/39/88/1007513988.db2.gz ZRWXBMVGUZWCDW-CJNGLKHVSA-N -1 3 417.270 3.710 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000517607327 1007810961 /nfs/dbraw/zinc/81/09/61/1007810961.db2.gz OFDFZDUWODPLGL-UHFFFAOYSA-N -1 3 410.390 3.895 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000540320709 1008378499 /nfs/dbraw/zinc/37/84/99/1008378499.db2.gz JAZOJDPWSCBMJX-ZBFHGGJFSA-N -1 3 417.270 3.710 20 5 HHBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000520378152 1009514388 /nfs/dbraw/zinc/51/43/88/1009514388.db2.gz RIRKUFAZQZYEDG-ZDUSSCGKSA-N -1 3 410.455 3.773 20 5 HHBDHM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2[O-])ccc1[N+](=O)[O-] ZINC000523289011 1011768974 /nfs/dbraw/zinc/76/89/74/1011768974.db2.gz VHWGPIGWECQHPB-MRXNPFEDSA-N -1 3 403.822 3.506 20 5 HHBDHM Cc1ccc(CN2CCSCC2)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000523459410 1011963155 /nfs/dbraw/zinc/96/31/55/1011963155.db2.gz BZCWQKOWCHVTBO-UHFFFAOYSA-N -1 3 421.544 3.561 20 5 HHBDHM Cc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3Br)n[nH]2)cc1 ZINC000523527487 1012055405 /nfs/dbraw/zinc/05/54/05/1012055405.db2.gz UZZJSCPDGXYBGA-UHFFFAOYSA-N -1 3 402.208 3.703 20 5 HHBDHM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2C1 ZINC000479147895 1072770069 /nfs/dbraw/zinc/77/00/69/1072770069.db2.gz MKBZKGYVNUJETA-CQSZACIVSA-N -1 3 419.503 3.908 20 5 HHBDHM O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1ccc([O-])c(F)c1 ZINC000301382931 970898443 /nfs/dbraw/zinc/89/84/43/970898443.db2.gz TUAWKERQKOHWLD-UHFFFAOYSA-N -1 3 423.466 3.616 20 5 HHBDHM COc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(F)cc1[N+](=O)[O-] ZINC000301969504 971137156 /nfs/dbraw/zinc/13/71/56/971137156.db2.gz QKOBAQIWFAFAQO-UHFFFAOYSA-N -1 3 423.828 3.957 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCOCC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000301986558 971142845 /nfs/dbraw/zinc/14/28/45/971142845.db2.gz KDRJVOKVHMTQHQ-INIZCTEOSA-N -1 3 419.503 3.628 20 5 HHBDHM CCOC(=O)c1cc(C(=O)[N-]c2nnc(C3CCCCC3)s2)cc([N+](=O)[O-])c1 ZINC000016722740 963092668 /nfs/dbraw/zinc/09/26/68/963092668.db2.gz SBEBBFRGRXQFEC-UHFFFAOYSA-N -1 3 404.448 3.923 20 5 HHBDHM O=C(COC(=O)c1cc2ccsc2[n-]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000023345737 963803541 /nfs/dbraw/zinc/80/35/41/963803541.db2.gz UTBVPVRUJMSECJ-UHFFFAOYSA-N -1 3 413.333 3.952 20 5 HHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000542722053 1013633742 /nfs/dbraw/zinc/63/37/42/1013633742.db2.gz AIDQEYGMDHWGSD-UHFFFAOYSA-N -1 3 423.454 3.951 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(=O)Nc3ccccc3)ccc2Cl)n1 ZINC000427199556 974973169 /nfs/dbraw/zinc/97/31/69/974973169.db2.gz VDHMYUYDEKEBFS-UHFFFAOYSA-N -1 3 413.821 3.969 20 5 HHBDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000427789164 975289320 /nfs/dbraw/zinc/28/93/20/975289320.db2.gz LVUOAAPAXAZRAD-IBGZPJMESA-N -1 3 402.428 3.573 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000427910743 975344967 /nfs/dbraw/zinc/34/49/67/975344967.db2.gz YBKFBBCXQDSWEE-UHFFFAOYSA-N -1 3 408.201 3.948 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432259570 978732411 /nfs/dbraw/zinc/73/24/11/978732411.db2.gz PGFVPZHZUBRKSW-CQSZACIVSA-N -1 3 418.393 3.618 20 5 HHBDHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000434408158 980151510 /nfs/dbraw/zinc/15/15/10/980151510.db2.gz VPYDSRDDUDILMO-SFHVURJKSA-N -1 3 421.457 3.505 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000435586492 980950965 /nfs/dbraw/zinc/95/09/65/980950965.db2.gz ZBGMIPGMOZBRMR-NEPJUHHUSA-N -1 3 418.805 3.684 20 5 HHBDHM O=C(c1ccccc1[O-])N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000436510163 981409753 /nfs/dbraw/zinc/40/97/53/981409753.db2.gz FNKWNJXGHBCEQS-UHFFFAOYSA-N -1 3 423.494 3.987 20 5 HHBDHM O=C(c1ccccc1[O-])N1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000436608917 981472381 /nfs/dbraw/zinc/47/23/81/981472381.db2.gz QXLVMLYYFGYEFF-UHFFFAOYSA-N -1 3 418.453 4.079 20 5 HHBDHM Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000436626598 981481416 /nfs/dbraw/zinc/48/14/16/981481416.db2.gz PNERKNFTVQBNFW-UHFFFAOYSA-N -1 3 409.364 3.590 20 5 HHBDHM CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436867405 981597068 /nfs/dbraw/zinc/59/70/68/981597068.db2.gz BZVWAKZMVQVMCS-UHFFFAOYSA-N -1 3 411.380 3.523 20 5 HHBDHM CCOc1cc(N2CCN(C(=O)c3ccc(C(C)C)cc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000436890138 981602638 /nfs/dbraw/zinc/60/26/38/981602638.db2.gz RTJLKODRIYNQRX-UHFFFAOYSA-N -1 3 413.474 3.785 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000437306943 981958017 /nfs/dbraw/zinc/95/80/17/981958017.db2.gz QCBXLIVRXKRLAU-VHSXEESVSA-N -1 3 400.806 3.895 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c(C(F)(F)F)c1 ZINC000442795520 985218746 /nfs/dbraw/zinc/21/87/46/985218746.db2.gz UIWWBPWGLLFLGZ-ZDUSSCGKSA-N -1 3 420.340 3.555 20 5 HHBDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000462541402 985489463 /nfs/dbraw/zinc/48/94/63/985489463.db2.gz CBUZAYCTGOEWDR-SECBINFHSA-N -1 3 405.295 3.767 20 5 HHBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000462699156 985640913 /nfs/dbraw/zinc/64/09/13/985640913.db2.gz DJSSPIZOONBDIT-SNVBAGLBSA-N -1 3 405.259 3.647 20 5 HHBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1cccc(Cl)c1 ZINC000462706852 985650335 /nfs/dbraw/zinc/65/03/35/985650335.db2.gz CUUIVHZGRPEHPW-JTQLQIEISA-N -1 3 405.259 3.647 20 5 HHBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000463165317 986136864 /nfs/dbraw/zinc/13/68/64/986136864.db2.gz PGUHYBGIHNDSAS-UHFFFAOYSA-N -1 3 408.201 3.948 20 5 HHBDHM CCOC(=O)c1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c([O-])c1 ZINC000444258837 986456702 /nfs/dbraw/zinc/45/67/02/986456702.db2.gz UYFXBCHMRBXUPS-UHFFFAOYSA-N -1 3 420.396 3.955 20 5 HHBDHM O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444512432 986706333 /nfs/dbraw/zinc/70/63/33/986706333.db2.gz HQAFRTNCUCUHOQ-UHFFFAOYSA-N -1 3 407.251 3.610 20 5 HHBDHM CCO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 ZINC000444994767 987123763 /nfs/dbraw/zinc/12/37/63/987123763.db2.gz FAADRYHDQSEHTN-HNNXBMFYSA-N -1 3 418.393 3.670 20 5 HHBDHM COc1ccccc1COc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000445144948 987239522 /nfs/dbraw/zinc/23/95/22/987239522.db2.gz LSCCKIJGOSZYCX-UHFFFAOYSA-N -1 3 409.398 3.844 20 5 HHBDHM O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445184543 987265313 /nfs/dbraw/zinc/26/53/13/987265313.db2.gz FJSPNRWBPULQNN-UHFFFAOYSA-N -1 3 401.325 3.805 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c2ncccc12 ZINC000464218670 988334721 /nfs/dbraw/zinc/33/47/21/988334721.db2.gz ZEMSFDDPLKOGAA-DGCLKSJQSA-N -1 3 417.409 3.790 20 5 HHBDHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000464354102 988506886 /nfs/dbraw/zinc/50/68/86/988506886.db2.gz OEGOAJJEMKTMNW-NSHDSACASA-N -1 3 400.888 3.548 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000467394352 992705359 /nfs/dbraw/zinc/70/53/59/992705359.db2.gz DDUYDGNZXFTLNI-UHFFFAOYSA-N -1 3 402.432 3.548 20 5 HHBDHM Cc1cccc([C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c2ccccn2)c1 ZINC000480723823 993591596 /nfs/dbraw/zinc/59/15/96/993591596.db2.gz GCTDBYAZMNXHPB-IBGZPJMESA-N -1 3 411.483 3.983 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2csc(-c3ccccc3)n2)c(Cl)c1 ZINC000481073019 993912417 /nfs/dbraw/zinc/91/24/17/993912417.db2.gz PROYVPLASYFWBZ-UHFFFAOYSA-N -1 3 423.903 3.893 20 5 HHBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000484161910 996608946 /nfs/dbraw/zinc/60/89/46/996608946.db2.gz HVOSEYRQUAHTFJ-UHFFFAOYSA-N -1 3 409.427 3.642 20 5 HHBDHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)c3cc([N+](=O)[O-])ccc3C)[n-]c(=O)c21 ZINC000484714022 997054182 /nfs/dbraw/zinc/05/41/82/997054182.db2.gz KUYJOLQFWVCVFG-NSHDSACASA-N -1 3 414.443 3.895 20 5 HHBDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)o2)cs1 ZINC000477150722 997810418 /nfs/dbraw/zinc/81/04/18/997810418.db2.gz NQLOLGTTZIAEKN-UHFFFAOYSA-N -1 3 407.473 3.715 20 5 HHBDHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000478759630 999126320 /nfs/dbraw/zinc/12/63/20/999126320.db2.gz UIOACRRBIBXVLD-UHFFFAOYSA-N -1 3 422.781 3.887 20 5 HHBDHM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)o1 ZINC000488820994 999618442 /nfs/dbraw/zinc/61/84/42/999618442.db2.gz FKYAXTGBDROPPT-SECBINFHSA-N -1 3 403.254 3.607 20 5 HHBDHM CCOC(=O)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)s1 ZINC000489031047 999677370 /nfs/dbraw/zinc/67/73/70/999677370.db2.gz MVMZYMQXKRPVLV-UHFFFAOYSA-N -1 3 424.504 3.552 20 5 HHBDHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000494315781 1000428158 /nfs/dbraw/zinc/42/81/58/1000428158.db2.gz UJDRPFAAUGYAAN-MRVPVSSYSA-N -1 3 419.219 3.757 20 5 HHBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3n2C(F)F)cc1C ZINC000497758175 1001506242 /nfs/dbraw/zinc/50/62/42/1001506242.db2.gz PJXVPBHIXCRWQC-GFCCVEGCSA-N -1 3 424.429 3.996 20 5 HHBDHM COc1cc(CNCc2ccc(OC3CCCC3)c(OC)c2)c([N+](=O)[O-])cc1[O-] ZINC000507911906 1002446524 /nfs/dbraw/zinc/44/65/24/1002446524.db2.gz DMVFSVDONVFMDB-UHFFFAOYSA-N -1 3 402.447 3.929 20 5 HHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cncc(Cl)c1Br ZINC000508067878 1002589523 /nfs/dbraw/zinc/58/95/23/1002589523.db2.gz LBYRZCNWTPDIIY-UHFFFAOYSA-N -1 3 406.645 3.515 20 5 HHBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000499294846 1002705477 /nfs/dbraw/zinc/70/54/77/1002705477.db2.gz DINMREKTHIKABF-UHFFFAOYSA-N -1 3 421.219 3.620 20 5 HHBDHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508302768 1002808274 /nfs/dbraw/zinc/80/82/74/1002808274.db2.gz LQDRPHCOWONVNZ-UHFFFAOYSA-N -1 3 400.807 3.667 20 5 HHBDHM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CSc2nc3nncc-3c(O)[n-]2)cc1OC ZINC000513578674 1005033474 /nfs/dbraw/zinc/03/34/74/1005033474.db2.gz DRRXVVUAJKXSLY-SNVBAGLBSA-N -1 3 419.463 3.693 20 5 HHBDHM CCOC(=O)c1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])sc(C)c1C[C@H](C)CC ZINC000502539779 1005109394 /nfs/dbraw/zinc/10/93/94/1005109394.db2.gz KPKHRNUTGDHEMP-SNVBAGLBSA-N -1 3 408.480 3.716 20 5 HHBDHM O=C(Nc1cc(Br)ccc1[O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000531155893 1006021855 /nfs/dbraw/zinc/02/18/55/1006021855.db2.gz SAKOZRZLZHVFBN-UHFFFAOYSA-N -1 3 403.192 3.501 20 5 HHBDHM COc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1OC1CCCC1 ZINC000515520620 1006512551 /nfs/dbraw/zinc/51/25/51/1006512551.db2.gz BFYSBTSUGVACAA-UHFFFAOYSA-N -1 3 424.450 3.542 20 5 HHBDHM O=[N+]([O-])c1cc(Br)cnc1[N-]c1cnn(-c2cnc3ccccc3n2)c1 ZINC000535360727 1007417894 /nfs/dbraw/zinc/41/78/94/1007417894.db2.gz GJLFARRBOVLUMS-UHFFFAOYSA-N -1 3 412.207 3.625 20 5 HHBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000539400177 1007708146 /nfs/dbraw/zinc/70/81/46/1007708146.db2.gz BTNKFVPDFCOXAI-UHFFFAOYSA-N -1 3 424.438 3.743 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOc2cccc3cccnc32)c(Cl)c1 ZINC000518213027 1008207785 /nfs/dbraw/zinc/20/77/85/1008207785.db2.gz QHSXLMAJCFHKKV-UHFFFAOYSA-N -1 3 421.862 3.544 20 5 HHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000543169981 1008745314 /nfs/dbraw/zinc/74/53/14/1008745314.db2.gz VOXCDLREZVUVQA-AWEZNQCLSA-N -1 3 410.320 3.763 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000521018579 1010054654 /nfs/dbraw/zinc/05/46/54/1010054654.db2.gz QFINCFOYPVUBCV-UHFFFAOYSA-N -1 3 410.390 3.895 20 5 HHBDHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000544962403 1010522703 /nfs/dbraw/zinc/52/27/03/1010522703.db2.gz WHRLGADQPJQECZ-LLVKDONJSA-N -1 3 422.850 3.646 20 5 HHBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000536789327 1012005751 /nfs/dbraw/zinc/00/57/51/1012005751.db2.gz GKZMHSGCECPPRF-UHFFFAOYSA-N -1 3 401.297 3.593 20 5 HHBDHM CS[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C ZINC000541309902 1012016695 /nfs/dbraw/zinc/01/66/95/1012016695.db2.gz QGQRXFXSHUINHI-GFCCVEGCSA-N -1 3 400.444 3.670 20 5 HHBDHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)co2)cc1 ZINC000541815200 1012702278 /nfs/dbraw/zinc/70/22/78/1012702278.db2.gz ORJIYWHZVARIMS-UHFFFAOYSA-N -1 3 401.444 3.654 20 5 HHBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000592342268 1075145887 /nfs/dbraw/zinc/14/58/87/1075145887.db2.gz VEYQNQYIOQUMMH-UHFFFAOYSA-N -1 3 401.386 3.771 20 5 HHBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000592342268 1075145889 /nfs/dbraw/zinc/14/58/89/1075145889.db2.gz VEYQNQYIOQUMMH-UHFFFAOYSA-N -1 3 401.386 3.771 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@]3(C)CCOC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301827174 971078206 /nfs/dbraw/zinc/07/82/06/971078206.db2.gz JNLPBYBYNOQICF-IBGZPJMESA-N -1 3 405.476 3.603 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H]3CC[C@@H](O)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000302706670 971285909 /nfs/dbraw/zinc/28/59/09/971285909.db2.gz WDQTUTVGBOQUPO-JKSUJKDBSA-N -1 3 419.503 3.585 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@]3(C)CCO[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000542209185 1013155321 /nfs/dbraw/zinc/15/53/21/1013155321.db2.gz BKZDDMDMFLRQPP-YWZLYKJASA-N -1 3 419.503 3.992 20 5 HHBDHM COc1cc(C(=O)Nc2ccc(C)cc2[O-])c([N+](=O)[O-])cc1OCc1cscn1 ZINC000057139363 965306996 /nfs/dbraw/zinc/30/69/96/965306996.db2.gz LFOWZPMMKDOUKO-UHFFFAOYSA-N -1 3 415.427 3.905 20 5 HHBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])c2)n1 ZINC000058940993 965966120 /nfs/dbraw/zinc/96/61/20/965966120.db2.gz TZNNKXFLLGQAEV-UHFFFAOYSA-N -1 3 422.441 3.624 20 5 HHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000542729111 1013641168 /nfs/dbraw/zinc/64/11/68/1013641168.db2.gz OSBBXKZXGCVRSK-KRWDZBQOSA-N -1 3 416.459 3.740 20 5 HHBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccccc1C(F)(F)F ZINC000064954923 967337204 /nfs/dbraw/zinc/33/72/04/967337204.db2.gz DCZVQPIFOSRLLT-UHFFFAOYSA-N -1 3 408.785 3.788 20 5 HHBDHM COc1ccccc1-c1nc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000065115095 967384058 /nfs/dbraw/zinc/38/40/58/967384058.db2.gz ODSWSNLAYRXKML-UHFFFAOYSA-N -1 3 422.426 3.764 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c(Cl)c1 ZINC000046056031 967649344 /nfs/dbraw/zinc/64/93/44/967649344.db2.gz LLSYLLATOAINRH-UHFFFAOYSA-N -1 3 409.620 3.951 20 5 HHBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000391953359 972846865 /nfs/dbraw/zinc/84/68/65/972846865.db2.gz JJGKBXUVMOFJCF-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM COc1ccc(Br)c(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000410342163 973928221 /nfs/dbraw/zinc/92/82/21/973928221.db2.gz ZUBYGJLVGCLMSY-UHFFFAOYSA-N -1 3 415.265 3.616 20 5 HHBDHM O=C([O-])COc1ccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000426699019 974605066 /nfs/dbraw/zinc/60/50/66/974605066.db2.gz DPJPTOVEBRVZSJ-UHFFFAOYSA-N -1 3 413.455 3.514 20 5 HHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3OC(F)F)cs2)n1 ZINC000427446045 975122373 /nfs/dbraw/zinc/12/23/73/975122373.db2.gz IICQDIQIZIEDGI-UHFFFAOYSA-N -1 3 409.374 3.788 20 5 HHBDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000427799130 975296058 /nfs/dbraw/zinc/29/60/58/975296058.db2.gz PQQVRBZKUDQDKY-IBGZPJMESA-N -1 3 402.428 3.573 20 5 HHBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432261310 978733082 /nfs/dbraw/zinc/73/30/82/978733082.db2.gz AWXBDVYYRXIIIR-CQSZACIVSA-N -1 3 418.393 3.618 20 5 HHBDHM COc1cc(CNc2nnc([C@@H]3CCCc4ccccc43)s2)c([N+](=O)[O-])cc1[O-] ZINC000432428011 978808463 /nfs/dbraw/zinc/80/84/63/978808463.db2.gz HIIDGHSIXABIFD-OAHLLOKOSA-N -1 3 412.471 4.241 20 5 HHBDHM Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436975061 981660253 /nfs/dbraw/zinc/66/02/53/981660253.db2.gz GHFNHRGZERKYOL-GOSISDBHSA-N -1 3 421.457 3.505 20 5 HHBDHM O=C(Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000448453908 981790390 /nfs/dbraw/zinc/79/03/90/981790390.db2.gz DTDZOGUSTLEIRW-UHFFFAOYSA-N -1 3 422.184 3.837 20 5 HHBDHM COC[C@@H](Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])C1CC1 ZINC000441958456 984565964 /nfs/dbraw/zinc/56/59/64/984565964.db2.gz QKKPHKTUCYBDCS-LJQANCHMSA-N -1 3 419.503 3.849 20 5 HHBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000462656505 985596716 /nfs/dbraw/zinc/59/67/16/985596716.db2.gz CEDPPGUKHSQOQS-CQSZACIVSA-N -1 3 405.259 3.568 20 5 HHBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000443947912 986155679 /nfs/dbraw/zinc/15/56/79/986155679.db2.gz LXYKFABHZUPVIM-UHFFFAOYSA-N -1 3 421.331 3.607 20 5 HHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(CN3CCSCC3)c2)c1 ZINC000444045530 986243526 /nfs/dbraw/zinc/24/35/26/986243526.db2.gz VTVJSELMVJERCY-UHFFFAOYSA-N -1 3 421.544 3.561 20 5 HHBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1nc(C(F)(F)F)cs1 ZINC000466870373 992191350 /nfs/dbraw/zinc/19/13/50/992191350.db2.gz MFLPZSAKOHMTPD-JTQLQIEISA-N -1 3 409.411 3.808 20 5 HHBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000467078801 992385157 /nfs/dbraw/zinc/38/51/57/992385157.db2.gz KYMKNFWUDXYDEO-QGZVFWFLSA-N -1 3 407.448 3.567 20 5 HHBDHM Cc1sc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nc1-c1ccccc1 ZINC000472306382 993318839 /nfs/dbraw/zinc/31/88/39/993318839.db2.gz QTIMNZNYDGYJST-UHFFFAOYSA-N -1 3 421.475 3.687 20 5 HHBDHM Cc1cc(C)n(-c2ccccc2C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000472357021 993356121 /nfs/dbraw/zinc/35/61/21/993356121.db2.gz XOJZNSOVTWYFKL-UHFFFAOYSA-N -1 3 420.878 3.529 20 5 HHBDHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000481948665 994829447 /nfs/dbraw/zinc/82/94/47/994829447.db2.gz VWZDSPNERYBJLJ-UHFFFAOYSA-N -1 3 424.413 3.593 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(OC(F)F)ccc32)c(F)c1 ZINC000477247260 997920815 /nfs/dbraw/zinc/92/08/15/997920815.db2.gz IHFUAPXMGCVFEO-OAHLLOKOSA-N -1 3 416.377 3.691 20 5 HHBDHM Cc1sc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1c(F)cc(F)cc1F ZINC000486225992 998660582 /nfs/dbraw/zinc/66/05/82/998660582.db2.gz MMCZMXGQXSXJDC-UHFFFAOYSA-N -1 3 410.333 3.797 20 5 HHBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1F ZINC000478056845 998740202 /nfs/dbraw/zinc/74/02/02/998740202.db2.gz HAKHWIWDRWDQML-UHFFFAOYSA-N -1 3 404.247 3.931 20 5 HHBDHM O=[N+]([O-])c1cc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc(C(F)(F)F)c1 ZINC000487335287 999138473 /nfs/dbraw/zinc/13/84/73/999138473.db2.gz PUAOCKFDOZQARR-UHFFFAOYSA-N -1 3 412.748 3.885 20 5 HHBDHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000479987299 999675457 /nfs/dbraw/zinc/67/54/57/999675457.db2.gz CHEVOZYQDLCGNM-SWLSCSKDSA-N -1 3 424.441 3.876 20 5 HHBDHM COC(=O)CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)s1 ZINC000489421157 999763715 /nfs/dbraw/zinc/76/37/15/999763715.db2.gz ISFQACLWJJBNOO-UHFFFAOYSA-N -1 3 424.504 3.552 20 5 HHBDHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489454952 999770815 /nfs/dbraw/zinc/77/08/15/999770815.db2.gz DKUOBJSXQYDSHK-UHFFFAOYSA-N -1 3 409.736 3.887 20 5 HHBDHM CCOC(=O)c1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)cc([N+](=O)[O-])c1 ZINC000490244826 999920309 /nfs/dbraw/zinc/92/03/09/999920309.db2.gz NCUDXZXHMKZAJW-AATRIKPKSA-N -1 3 414.399 3.639 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)c(Cl)c1 ZINC000497993667 1001595409 /nfs/dbraw/zinc/59/54/09/1001595409.db2.gz PAUVEYONRWXKJE-GOSISDBHSA-N -1 3 421.837 3.850 20 5 HHBDHM Cc1ccc(Sc2nsc([N-]C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)cc1 ZINC000498252663 1001732992 /nfs/dbraw/zinc/73/29/92/1001732992.db2.gz IVEYUDQUUFURCC-UHFFFAOYSA-N -1 3 416.440 3.887 20 5 HHBDHM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000507479883 1002096313 /nfs/dbraw/zinc/09/63/13/1002096313.db2.gz QPAFMEYRRKSJIV-LBPRGKRZSA-N -1 3 424.500 3.518 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)c(Cl)c1 ZINC000507534133 1002142771 /nfs/dbraw/zinc/14/27/71/1002142771.db2.gz OKZLGMRXVXFBIT-HNNXBMFYSA-N -1 3 409.876 3.773 20 5 HHBDHM Cc1ccc([C@@H](CC(=O)OC(C)C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000507567773 1002172129 /nfs/dbraw/zinc/17/21/29/1002172129.db2.gz LUCSQFAXQWGURE-QGZVFWFLSA-N -1 3 420.487 3.573 20 5 HHBDHM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2)n1 ZINC000499280991 1002691962 /nfs/dbraw/zinc/69/19/62/1002691962.db2.gz CKJNDLVEVUQISE-UHFFFAOYSA-N -1 3 416.459 3.753 20 5 HHBDHM COC(=O)c1cnc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2Sc2cccs2)cn1 ZINC000501567077 1004522812 /nfs/dbraw/zinc/52/28/12/1004522812.db2.gz MHJYGWZGRKMEQC-UHFFFAOYSA-N -1 3 416.440 3.636 20 5 HHBDHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1OC ZINC000538743096 1007028265 /nfs/dbraw/zinc/02/82/65/1007028265.db2.gz ARKDNYJKLUUFMG-UHFFFAOYSA-N -1 3 421.475 3.543 20 5 HHBDHM Cc1nc(-c2ccc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000516552933 1007151048 /nfs/dbraw/zinc/15/10/48/1007151048.db2.gz ZKIGUCCTFPEXFI-UHFFFAOYSA-N -1 3 405.414 3.656 20 5 HHBDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000533006771 1007372315 /nfs/dbraw/zinc/37/23/15/1007372315.db2.gz VWOGFEMJIWWVFD-SKDRFNHKSA-N -1 3 415.265 3.552 20 5 HHBDHM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(Br)ccc1[O-] ZINC000535414035 1007483548 /nfs/dbraw/zinc/48/35/48/1007483548.db2.gz OEPVJGKDACGJBZ-UHFFFAOYSA-N -1 3 418.203 3.629 20 5 HHBDHM COc1ccc2oc([C@@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)c(C)c2c1 ZINC000517372644 1007605361 /nfs/dbraw/zinc/60/53/61/1007605361.db2.gz CWWHRYSJHQOMCK-LLVKDONJSA-N -1 3 408.407 3.837 20 5 HHBDHM Cc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1[N+](=O)[O-] ZINC000533618909 1007919875 /nfs/dbraw/zinc/91/98/75/1007919875.db2.gz ONRUKRCUHCIHND-UHFFFAOYSA-N -1 3 417.849 3.753 20 5 HHBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H](C)c3cn[nH]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000535987269 1008026246 /nfs/dbraw/zinc/02/62/46/1008026246.db2.gz IYKMEXUVYOEIOF-AWEZNQCLSA-N -1 3 415.475 3.909 20 5 HHBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000533915345 1008201861 /nfs/dbraw/zinc/20/18/61/1008201861.db2.gz ODQJOMGXDQMRFA-UHFFFAOYSA-N -1 3 419.684 3.532 20 5 HHBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(-c2cn3ccccc3n2)cc1 ZINC000546087076 1009111257 /nfs/dbraw/zinc/11/12/57/1009111257.db2.gz WRZCGEFPUQQVBZ-UHFFFAOYSA-N -1 3 408.439 3.851 20 5 HHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)c(Cl)c1 ZINC000520028420 1009182999 /nfs/dbraw/zinc/18/29/99/1009182999.db2.gz XGSAVHRBIYATNY-UHFFFAOYSA-N -1 3 409.876 3.850 20 5 HHBDHM CCCc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000541164653 1011831818 /nfs/dbraw/zinc/83/18/18/1011831818.db2.gz KDNKSTGQBSEKMQ-UHFFFAOYSA-N -1 3 414.487 3.717 20 5 HHBDHM