smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CC(c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005602347 209604549 /nfs/dbraw/zinc/60/45/49/209604549.db2.gz HNFWOFIWYMASTL-UHFFFAOYSA-N 0 0 380.831 5.409 40 5 GKBBRN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Oc1ccc(Cl)cc1Cl ZINC000002147916 209348981 /nfs/dbraw/zinc/34/89/81/209348981.db2.gz DDZGMDCHVNUYMS-UHFFFAOYSA-N 0 0 386.540 6.366 40 5 GKBBRN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc2c(c1)Cc1ccccc1-2 ZINC000001694591 209337223 /nfs/dbraw/zinc/33/72/23/209337223.db2.gz DHENEICSKGFRFZ-UHFFFAOYSA-N 0 0 387.438 5.075 40 5 GKBBRN Cc1c2ccccc2c(CSCC[C@H]([NH3+])C(=O)[O-])c2ccc3ccccc3c12 ZINC000001844093 212258509 /nfs/dbraw/zinc/25/85/09/212258509.db2.gz PZYDJZNTAVBABA-QFIPXVFZSA-N 0 0 389.520 5.490 40 5 GKBBRN CCCC[C@H](CC)COC(=O)c1cc([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000001679578 212253764 /nfs/dbraw/zinc/25/37/64/212253764.db2.gz UAFFLWKAEZWBJJ-ZDUSSCGKSA-N 0 0 380.441 5.174 40 5 GKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc2ccccc21 ZINC000001053165 212210969 /nfs/dbraw/zinc/21/09/69/212210969.db2.gz HNTUPOJSOIQLKP-FYWRMAATSA-N 0 0 384.391 5.660 40 5 GKBBRN O=c1c2ccccc2c2nccc3c4cc(OCc5ccc(F)cc5)ccc4n1c32 ZINC000006624608 212148725 /nfs/dbraw/zinc/14/87/25/212148725.db2.gz WRQHWKDBLPVGMQ-UHFFFAOYSA-N 0 0 394.405 5.310 40 5 biogenic GKBBRN c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc4ccccc4cc32)cc1 ZINC000001731622 203918953 /nfs/dbraw/zinc/91/89/53/203918953.db2.gz DWSKWYAKBATHET-UHFFFAOYSA-N 0 0 380.490 8.480 40 5 GKBBRN C[C@@]12CC[C@H]3c4ccc(Cc5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004946138 204096226 /nfs/dbraw/zinc/09/62/26/204096226.db2.gz QABYAMHXIHGLLY-KELBGUDLSA-N 0 0 389.495 5.611 40 5 GKBBRN Cc1ccc(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cc1[N+](=O)[O-] ZINC000006478342 204180090 /nfs/dbraw/zinc/18/00/90/204180090.db2.gz JPNIIBFTBYLXOU-UHFFFAOYSA-N 0 0 382.228 5.072 40 5 GKBBRN O=[N+]([O-])c1ccc(CSCCCSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006883218 204220870 /nfs/dbraw/zinc/22/08/70/204220870.db2.gz XFMJYXVLNPYZEJ-UHFFFAOYSA-N 0 0 378.475 5.060 40 5 GKBBRN Cc1ccc(-c2nc(N3CCCCC3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036293474 205010558 /nfs/dbraw/zinc/01/05/58/205010558.db2.gz PCFSMNDDKJLSGI-UHFFFAOYSA-N 0 0 379.485 5.684 40 5 GKBBRN O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000006885020 209128935 /nfs/dbraw/zinc/12/89/35/209128935.db2.gz JZUIKHKHSHPCGU-OAQYLSRUSA-N 0 0 377.831 5.604 40 5 GKBBRN O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000072229440 205319297 /nfs/dbraw/zinc/31/92/97/205319297.db2.gz LNIUMOXFTRPOPL-UHFFFAOYSA-N 0 0 387.222 5.821 40 5 GKBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccccc3)=Nc3c4ccccc4ccc32)cc1 ZINC000004954635 205757366 /nfs/dbraw/zinc/75/73/66/205757366.db2.gz XIYPFIUGBTZKLM-UHFFFAOYSA-N 0 0 392.418 5.182 40 5 GKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 ZINC000225505751 206053458 /nfs/dbraw/zinc/05/34/58/206053458.db2.gz BYTLTZXASSHQFU-UHFFFAOYSA-N 0 0 382.460 5.224 40 5 GKBBRN CCc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000026570556 206253618 /nfs/dbraw/zinc/25/36/18/206253618.db2.gz JZCSAQNWSHUJNG-HSZRJFAPSA-N 0 0 387.439 5.219 40 5 GKBBRN O=c1c2ccccc2c2ncc(-c3ccccc3Cl)c3c4ccccc4n1c32 ZINC000006624483 206295314 /nfs/dbraw/zinc/29/53/14/206295314.db2.gz VLFLRYVMVHVJGK-UHFFFAOYSA-N 0 0 380.834 5.912 40 5 biogenic GKBBRN COc1ccc(OC)c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12 ZINC000001670051 206388108 /nfs/dbraw/zinc/38/81/08/206388108.db2.gz QCEOBAZRYYKEKG-UHFFFAOYSA-N 0 0 390.482 7.344 40 5 GKBBRN CCCC[C@@H](CC)COC(=O)c1cc([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000005553709 206619490 /nfs/dbraw/zinc/61/94/90/206619490.db2.gz UAFFLWKAEZWBJJ-CYBMUJFWSA-N 0 0 380.441 5.174 40 5 GKBBRN CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229500 211083766 /nfs/dbraw/zinc/08/37/66/211083766.db2.gz WLFUNWGKVBOXSV-UHFFFAOYSA-N 0 0 397.258 5.217 40 5 GKBBRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000030758491 210557961 /nfs/dbraw/zinc/55/79/61/210557961.db2.gz WVKZJVRNLKQNKP-LJQANCHMSA-N 0 0 384.819 5.198 40 5 GKBBRN COc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 ZINC000000859874 220462102 /nfs/dbraw/zinc/46/21/02/220462102.db2.gz COIKPIZMAISYEI-UHFFFAOYSA-N 0 0 399.406 5.071 40 5 GKBBRN O=[N+]([O-])c1ccc2nc(Nc3ccc(F)cc3)c(Nc3ccc(F)cc3)nc2c1 ZINC000003114781 220605174 /nfs/dbraw/zinc/60/51/74/220605174.db2.gz VXMKUKDAOJRXJE-UHFFFAOYSA-N 0 0 393.353 5.303 40 5 GKBBRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000005747173 220895552 /nfs/dbraw/zinc/89/55/52/220895552.db2.gz DZWKEMGKZXCGTE-UHFFFAOYSA-N 0 0 391.383 5.174 40 5 GKBBRN O=C(Nc1ccc2c3c(cccc31)CC2)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372870 221101008 /nfs/dbraw/zinc/10/10/08/221101008.db2.gz OWWFLJPMSBCIJN-UHFFFAOYSA-N 0 0 386.451 5.297 40 5 GKBBRN COC(=O)c1ccc(/C=C\c2ccc3ccc4ccc5ccccc5c4c3c2)cc1 ZINC000013409320 221267946 /nfs/dbraw/zinc/26/79/46/221267946.db2.gz UKIOGVOZSWCBPE-SREVYHEPSA-N 0 0 388.466 7.103 40 5 GKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000007684740 533228995 /nfs/dbraw/zinc/22/89/95/533228995.db2.gz AKWNJDSFNBCBEE-UHFFFAOYSA-N 0 0 394.452 5.148 40 5 GKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2F)c(Cl)cc1[N+](=O)[O-] ZINC000072229245 136167621 /nfs/dbraw/zinc/16/76/21/136167621.db2.gz LSNSCGZXPLBAQR-LBPRGKRZSA-N 0 0 391.830 5.018 40 5 GKBBRN Cc1cc(NS(=O)(=O)c2ccc(C)c(C)c2)c2ccc3ccccc3c2n1 ZINC000040384391 221920938 /nfs/dbraw/zinc/92/09/38/221920938.db2.gz OEVGAJXZIVQKAF-UHFFFAOYSA-N 0 0 376.481 5.114 40 5 GKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000061429914 222061054 /nfs/dbraw/zinc/06/10/54/222061054.db2.gz BXWAXWXOCJWCMD-UHFFFAOYSA-N 0 0 399.406 5.478 40 5 GKBBRN CCc1cc([N+](=O)[O-])cc2nc(-c3cccc4c(Br)cccc34)oc21 ZINC000073642674 222270906 /nfs/dbraw/zinc/27/09/06/222270906.db2.gz FHBQOVXVYXSTFS-UHFFFAOYSA-N 0 0 397.228 5.881 40 5 GKBBRN Cc1ccc(C)c(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 ZINC000409116233 533686404 /nfs/dbraw/zinc/68/64/04/533686404.db2.gz MBXMVDNHSZITEH-UHFFFAOYSA-N 0 0 396.874 6.056 40 5 GKBBRN Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc21 ZINC000408620716 533719616 /nfs/dbraw/zinc/71/96/16/533719616.db2.gz JMBRDVXJMYDWAT-SOFGYWHQSA-N 0 0 387.848 5.127 40 5 GKBBRN COc1cc(CNc2cccc(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409122319 533913670 /nfs/dbraw/zinc/91/36/70/533913670.db2.gz XUYFDVPAZXQWFB-UHFFFAOYSA-N 0 0 378.428 5.103 40 5 GKBBRN COc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409120617 533911570 /nfs/dbraw/zinc/91/15/70/533911570.db2.gz RDYAYUKCYOUCMI-UHFFFAOYSA-N 0 0 378.428 5.103 40 5 GKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 ZINC000408557612 533915272 /nfs/dbraw/zinc/91/52/72/533915272.db2.gz PKRXNOAXRMXJJH-UHFFFAOYSA-N 0 0 378.428 5.103 40 5 GKBBRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408977788 534074997 /nfs/dbraw/zinc/07/49/97/534074997.db2.gz YDTKLKQWYGJBGU-CQSZACIVSA-N 0 0 395.487 5.589 40 5 GKBBRN O=C(Nc1cccc(Cl)c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408907462 534343194 /nfs/dbraw/zinc/34/31/94/534343194.db2.gz OPIMBFAVECHKIL-DEDYPNTBSA-N 0 0 378.815 5.428 40 5 GKBBRN Cc1ccc2c(Cl)c(C3=N/C(=C/c4cccc([N+](=O)[O-])c4)C(=O)O3)sc2c1 ZINC000408838676 534392482 /nfs/dbraw/zinc/39/24/82/534392482.db2.gz HAASXKQERDBJQM-NTEUORMPSA-N 0 0 398.827 5.116 40 5 GKBBRN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000059241276 534407542 /nfs/dbraw/zinc/40/75/42/534407542.db2.gz NPMOEFHSKUUGHL-UHFFFAOYSA-N 0 0 384.844 5.652 40 5 GKBBRN S=C(Nc1ccc2ccccc2c1)Nc1cc2ccncc2c2ncccc12 ZINC000408975853 534458307 /nfs/dbraw/zinc/45/83/07/534458307.db2.gz OGSQIELGPYDBAO-UHFFFAOYSA-N 0 0 380.476 5.745 40 5 GKBBRN O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000409090587 534804173 /nfs/dbraw/zinc/80/41/73/534804173.db2.gz RLZUEROSZHEGFR-ZDLGFXPLSA-N 0 0 398.827 5.594 40 5 GKBBRN O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cccc(Cl)c1 ZINC000409218644 534822288 /nfs/dbraw/zinc/82/22/88/534822288.db2.gz WWZFULKIRHNIAI-VGOFMYFVSA-N 0 0 395.223 5.143 40 5 GKBBRN O=C1S/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1c1ccccc1 ZINC000113837622 534822689 /nfs/dbraw/zinc/82/26/89/534822689.db2.gz PPSWWZNEFJUOGG-VGOFMYFVSA-N 0 0 395.223 5.143 40 5 GKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408586632 534837985 /nfs/dbraw/zinc/83/79/85/534837985.db2.gz OIVVFPVZDKOVFJ-UHFFFAOYSA-N 0 0 382.803 5.080 40 5 GKBBRN O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)nc1 ZINC000409269483 534883383 /nfs/dbraw/zinc/88/33/83/534883383.db2.gz CEOGVPQARSBQMM-UHFFFAOYSA-N 0 0 386.436 5.265 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1 ZINC000408556264 534886119 /nfs/dbraw/zinc/88/61/19/534886119.db2.gz INUYIVVOUBUJKH-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2cn(Cc3ccccc3F)c3ccccc23)c1 ZINC000408558719 534886670 /nfs/dbraw/zinc/88/66/70/534886670.db2.gz VIISYQGICLLEHU-UHFFFAOYSA-N 0 0 375.403 5.349 40 5 GKBBRN CC(C)(C)CC(C)(C)NC(=O)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408975703 527649473 /nfs/dbraw/zinc/64/94/73/527649473.db2.gz LUMJVXKKBAJZSM-UHFFFAOYSA-N 0 0 391.540 5.942 40 5 GKBBRN CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc21 ZINC000409118330 527957092 /nfs/dbraw/zinc/95/70/92/527957092.db2.gz PBSHDBSMASFOFK-UYRXBGFRSA-N 0 0 388.423 5.398 40 5 GKBBRN CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1Cl ZINC000408571136 528173956 /nfs/dbraw/zinc/17/39/56/528173956.db2.gz NTAWANRKHPTJEA-AWEZNQCLSA-N 0 0 379.243 5.282 40 5 GKBBRN CC1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000408628794 528266864 /nfs/dbraw/zinc/26/68/64/528266864.db2.gz ALLZIJKIORSBFO-VMPITWQZSA-N 0 0 399.878 5.136 40 5 GKBBRN CCOc1cc(CNc2cccc(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409132609 528287285 /nfs/dbraw/zinc/28/72/85/528287285.db2.gz KYUACJGSXJXCDP-UHFFFAOYSA-N 0 0 392.455 5.493 40 5 GKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1F ZINC000408557091 528287448 /nfs/dbraw/zinc/28/74/48/528287448.db2.gz MAWRRLFUSDOGKA-UHFFFAOYSA-N 0 0 396.418 5.324 40 5 GKBBRN CCN(CC)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 ZINC000408621122 528312161 /nfs/dbraw/zinc/31/21/61/528312161.db2.gz JUCWWZJGPKGOFX-UHFFFAOYSA-N 0 0 393.443 5.262 40 5 GKBBRN CCOc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409118595 528554368 /nfs/dbraw/zinc/55/43/68/528554368.db2.gz RPVFIPVXYZGXKM-UHFFFAOYSA-N 0 0 378.428 5.185 40 5 GKBBRN CCOc1ccc(NCc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409117173 528554454 /nfs/dbraw/zinc/55/44/54/528554454.db2.gz WTCIRSQQAKCOGI-UHFFFAOYSA-N 0 0 378.428 5.185 40 5 GKBBRN CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 ZINC000408828754 528807010 /nfs/dbraw/zinc/80/70/10/528807010.db2.gz MDBATKVADUUDID-UHFFFAOYSA-N 0 0 381.457 5.232 40 5 GKBBRN Cc1ccccc1C(=O)Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl ZINC000072229122 570318964 /nfs/dbraw/zinc/31/89/64/570318964.db2.gz BESGUJVXQCIFAB-UHFFFAOYSA-N 0 0 387.867 5.554 40 5 GKBBRN Cc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000408575648 570332025 /nfs/dbraw/zinc/33/20/25/570332025.db2.gz OOFKTUYGTNQHOJ-UHFFFAOYSA-N 0 0 378.453 5.448 40 5 GKBBRN COc1ccc(C(=O)C[C@H](c2ccccc2)C(c2ccccc2)[N+](=O)[O-])cc1 ZINC000001715100 570341428 /nfs/dbraw/zinc/34/14/28/570341428.db2.gz BQYGWJZQQPXFAJ-FYYLOGMGSA-N 0 0 375.424 5.070 40 5 GKBBRN Cc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000408629191 570348934 /nfs/dbraw/zinc/34/89/34/570348934.db2.gz OVFWANYPNWOHNB-UHFFFAOYSA-N 0 0 387.867 5.045 40 5 GKBBRN CCCCSCCSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000006264514 570352395 /nfs/dbraw/zinc/35/23/95/570352395.db2.gz RCHGWMXIXASJCG-UHFFFAOYSA-N 0 0 375.515 5.451 40 5 GKBBRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000004893818 570356903 /nfs/dbraw/zinc/35/69/03/570356903.db2.gz BQPZCUVUIOSFBS-UHFFFAOYSA-N 0 0 377.183 5.414 40 5 GKBBRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000004893823 570357066 /nfs/dbraw/zinc/35/70/66/570357066.db2.gz DESPUQOYBKEOEB-UHFFFAOYSA-N 0 0 376.290 5.126 40 5 GKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000006301500 570366678 /nfs/dbraw/zinc/36/66/78/570366678.db2.gz IYURPNWBGOHDFA-PKNBQFBNSA-N 0 0 382.803 5.469 40 5 GKBBRN CCOc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000408625171 570376283 /nfs/dbraw/zinc/37/62/83/570376283.db2.gz XDZMEPUJUDBDGT-UHFFFAOYSA-N 0 0 386.791 5.159 40 5 GKBBRN O=C(O[C@]1(c2ccccc2)C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000004945986 570377038 /nfs/dbraw/zinc/37/70/38/570377038.db2.gz NKRYLCNOHSETBE-CKSGFJDPSA-N 0 0 377.440 5.103 40 5 GKBBRN CCCCOc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000006323552 570380888 /nfs/dbraw/zinc/38/08/88/570380888.db2.gz KPPMDOMHHOKFSH-UHFFFAOYSA-N 0 0 397.456 5.150 40 5 GKBBRN COc1cc(C)ccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O ZINC000005362749 570435029 /nfs/dbraw/zinc/43/50/29/570435029.db2.gz KNACELLREDRXJZ-UHFFFAOYSA-N 0 0 396.446 5.749 40 5 GKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(Cl)ccc1Cl ZINC000006471800 570443844 /nfs/dbraw/zinc/44/38/44/570443844.db2.gz DSICAJTZRJRETM-UHFFFAOYSA-N 0 0 394.239 5.277 40 5 GKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000006494407 570453306 /nfs/dbraw/zinc/45/33/06/570453306.db2.gz WSMYRHZQQUCJCI-QPJJXVBHSA-N 0 0 394.239 5.163 40 5 GKBBRN CCN(CC)[C@@H](C)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 ZINC000006384796 570478781 /nfs/dbraw/zinc/47/87/81/570478781.db2.gz NVQRSFKDVZIWIW-AWEZNQCLSA-N 0 0 384.317 5.669 40 5 GKBBRN O=C1NC(=O)c2c1c1c3cc(Cl)ccc3[nH]c1c1[nH]c3ccc(Cl)cc3c12 ZINC000006567263 570483576 /nfs/dbraw/zinc/48/35/76/570483576.db2.gz DYJREVOKIDWZEE-UHFFFAOYSA-N 0 0 394.217 5.146 40 5 GKBBRN O=C(Nc1ccc(Cl)cc1Cl)c1cc2c(ccc3ccccc32)oc1=O ZINC000000845975 570493450 /nfs/dbraw/zinc/49/34/50/570493450.db2.gz PYWNOVXEQSMUIS-UHFFFAOYSA-N 0 0 384.218 5.505 40 5 GKBBRN CCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCCCC ZINC000005420716 570588472 /nfs/dbraw/zinc/58/84/72/570588472.db2.gz HAROZEMXJYDSLN-UHFFFAOYSA-N 0 0 386.448 5.205 40 5 GKBBRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000004893817 570644312 /nfs/dbraw/zinc/64/43/12/570644312.db2.gz JNMKPLBGMRFHGV-UHFFFAOYSA-N 0 0 377.183 5.414 40 5 GKBBRN CCC(=O)c1ccc(Oc2ccc(C(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 ZINC000000864918 570663896 /nfs/dbraw/zinc/66/38/96/570663896.db2.gz SOLFDLCGOPQKFA-UHFFFAOYSA-N 0 0 389.407 5.519 40 5 GKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000000861631 570663990 /nfs/dbraw/zinc/66/39/90/570663990.db2.gz RBKRPFWWSNGIRE-UHFFFAOYSA-N 0 0 391.210 5.722 40 5 GKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1CCc1ccccc1 ZINC000013688448 570668711 /nfs/dbraw/zinc/66/87/11/570668711.db2.gz HPGOIUFDDAZZMN-UHFFFAOYSA-N 0 0 380.831 5.286 40 5 GKBBRN O=C(Nc1cccc2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000006886092 570674192 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GKBBRN CC(C)(C)c1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O ZINC000005722327 570902553 /nfs/dbraw/zinc/90/25/53/570902553.db2.gz UGBMAHPDXWPZBL-UHFFFAOYSA-N 0 0 387.436 5.547 40 5 GKBBRN Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000022399104 570905926 /nfs/dbraw/zinc/90/59/26/570905926.db2.gz XILAEACSHVGILK-UHFFFAOYSA-N 0 0 391.210 5.722 40 5 GKBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2c(Cl)cccc12 ZINC000017078386 570926499 /nfs/dbraw/zinc/92/64/99/570926499.db2.gz BWFYTZRILZSFLI-UHFFFAOYSA-N 0 0 383.816 5.263 40 5 GKBBRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000223023589 570951051 /nfs/dbraw/zinc/95/10/51/570951051.db2.gz OXPNQTNSBKEWHS-MRXNPFEDSA-N 0 0 383.231 5.006 40 5 GKBBRN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000059179685 570959826 /nfs/dbraw/zinc/95/98/26/570959826.db2.gz JRTOZIAYBDTVBV-UHFFFAOYSA-N 0 0 399.472 5.281 40 5 GKBBRN Ic1c2ccccc2c2ccccc2c1-c1ccccc1 ZINC000090560630 570997570 /nfs/dbraw/zinc/99/75/70/570997570.db2.gz DLMIWIDZMSLNNJ-UHFFFAOYSA-N 0 0 380.228 6.265 40 5 GKBBRN CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000020496716 230904308 /nfs/dbraw/zinc/90/43/08/230904308.db2.gz NAFMRVPQISWWHF-NTEUORMPSA-N 0 0 385.423 5.375 40 5 GKBBRN Cc1noc(/C=C/c2cn(Cc3ccccc3F)c3ccccc23)c1[N+](=O)[O-] ZINC000408543240 231055928 /nfs/dbraw/zinc/05/59/28/231055928.db2.gz OEYNAYDIZVKUSE-ZHACJKMWSA-N 0 0 377.375 5.204 40 5 GKBBRN Cc1noc(C=Cc2c(OCc3ccccc3)ccc3ccccc32)c1[N+](=O)[O-] ZINC000408544115 231056307 /nfs/dbraw/zinc/05/63/07/231056307.db2.gz SBCMVVPJXALNJJ-OWBHPGMISA-N 0 0 386.407 5.794 40 5 GKBBRN Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408616865 231080887 /nfs/dbraw/zinc/08/08/87/231080887.db2.gz AHECYNFYYCAMFY-UHFFFAOYSA-N 0 0 391.210 5.722 40 5 GKBBRN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408619426 231082070 /nfs/dbraw/zinc/08/20/70/231082070.db2.gz CAEYHHNGYXYEQE-UHFFFAOYSA-N 0 0 399.815 5.370 40 5 GKBBRN Cc1ccc(COc2ccc(Cl)cc2CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000408559237 231060827 /nfs/dbraw/zinc/06/08/27/231060827.db2.gz YOZPRFAHHXKYBS-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1noc(/C=C/c2ccc(OCc3c(F)cccc3Cl)cc2)c1[N+](=O)[O-] ZINC000408606981 231077484 /nfs/dbraw/zinc/07/74/84/231077484.db2.gz RZQPEPGBVZJDGO-JXMROGBWSA-N 0 0 388.782 5.433 40 5 GKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)cc1 ZINC000408610752 231078560 /nfs/dbraw/zinc/07/85/60/231078560.db2.gz SARIHCTUYCPQHY-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408624160 231086014 /nfs/dbraw/zinc/08/60/14/231086014.db2.gz BHMJYRPOJUFGHV-ZRDIBKRKSA-N 0 0 398.422 5.098 40 5 GKBBRN Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Cl ZINC000408906844 231128570 /nfs/dbraw/zinc/12/85/70/231128570.db2.gz JAOJARGLVMPHET-DEDYPNTBSA-N 0 0 392.842 5.736 40 5 GKBBRN CN(C(=O)Nc1cc2ncccc2c2cccnc12)c1ccc2ccccc2c1 ZINC000408974894 231138952 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O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000409000967 231144601 /nfs/dbraw/zinc/14/46/01/231144601.db2.gz OFOQECLEJFTHFB-COPCDDAFSA-N 0 0 376.843 5.719 40 5 GKBBRN Cc1cc(Cl)ccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408924586 231132579 /nfs/dbraw/zinc/13/25/79/231132579.db2.gz KJLAEFQQRJDZLO-XSFVSMFZSA-N 0 0 392.842 5.736 40 5 GKBBRN Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1Cl ZINC000408924720 231132754 /nfs/dbraw/zinc/13/27/54/231132754.db2.gz LUQNNCFGZLTMCZ-DEDYPNTBSA-N 0 0 392.842 5.736 40 5 GKBBRN Cc1c(Cl)cccc1NCc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409115772 231164212 /nfs/dbraw/zinc/16/42/12/231164212.db2.gz HCUNFSUGIAUFKG-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl ZINC000409114857 231164313 /nfs/dbraw/zinc/16/43/13/231164313.db2.gz LQWZCVSSWRIOSC-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 ZINC000409116896 231165705 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O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ccccc4s3)cc2)c([N+](=O)[O-])c1 ZINC000409256035 231188487 /nfs/dbraw/zinc/18/84/87/231188487.db2.gz JEXAJEKZOCGIOM-UHFFFAOYSA-N 0 0 393.380 5.572 40 5 GKBBRN CN(C(=S)Nc1cc2cccnc2c2ncccc12)c1ccc2ccccc2c1 ZINC000409322101 231190325 /nfs/dbraw/zinc/19/03/25/231190325.db2.gz KMDPOGAPADRING-UHFFFAOYSA-N 0 0 394.503 5.769 40 5 GKBBRN CCc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409110707 529688300 /nfs/dbraw/zinc/68/83/00/529688300.db2.gz XZWYPMIZZUCMDM-UHFFFAOYSA-N 0 0 396.874 6.002 40 5 GKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1OCc1ccccc1 ZINC000013687437 210079455 /nfs/dbraw/zinc/07/94/55/210079455.db2.gz ISLKSVLUWAPWLO-UHFFFAOYSA-N 0 0 382.803 5.080 40 5 GKBBRN Cc1cc(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(C)c1Cl ZINC000001787150 209339581 /nfs/dbraw/zinc/33/95/81/209339581.db2.gz TZBYONHJXNMZJO-UHFFFAOYSA-N 0 0 397.258 5.316 40 5 GKBBRN CCN(CC)[C@H](C)C(=O)c1ccc2cc(Br)c3ccccc3c2c1 ZINC000001729638 209337433 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5.322 40 5 GKBBRN O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000011613896 204347586 /nfs/dbraw/zinc/34/75/86/204347586.db2.gz SGNUKWKOYSKVCN-UHFFFAOYSA-N 0 0 383.787 5.046 40 5 GKBBRN Cc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000044849920 205088000 /nfs/dbraw/zinc/08/80/00/205088000.db2.gz JUSMFNWAGYHMPD-HXUWFJFHSA-N 0 0 380.831 5.076 40 5 GKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000005763451 209123317 /nfs/dbraw/zinc/12/33/17/209123317.db2.gz KJBWBWIDLPQSHR-UHFFFAOYSA-N 0 0 397.814 5.184 40 5 GKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000072229337 205318782 /nfs/dbraw/zinc/31/87/82/205318782.db2.gz OJVQUVDKWOWMKO-UHFFFAOYSA-N 0 0 391.830 5.384 40 5 GKBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000072228877 205319319 /nfs/dbraw/zinc/31/93/19/205319319.db2.gz XNUCVEWWDVZJPH-LLVKDONJSA-N 0 0 397.258 5.178 40 5 GKBBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 ZINC000225505804 206053766 /nfs/dbraw/zinc/05/37/66/206053766.db2.gz GCLFUWXHDOSTIA-MRXNPFEDSA-N 0 0 382.460 5.223 40 5 GKBBRN CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 ZINC000225536390 206055698 /nfs/dbraw/zinc/05/56/98/206055698.db2.gz ZOLHZFLUAOBUGD-UHFFFAOYSA-N 0 0 396.487 5.470 40 5 GKBBRN CCc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(O)cc3)C2)cc1 ZINC000026570559 206253946 /nfs/dbraw/zinc/25/39/46/206253946.db2.gz JZCSAQNWSHUJNG-QHCPKHFHSA-N 0 0 387.439 5.219 40 5 GKBBRN CCCc1c(=O)c2ccccc2c2nc3ccc(N(CC)CC)cc3sc1-2 ZINC000016678282 207076330 /nfs/dbraw/zinc/07/63/30/207076330.db2.gz HJIDUHLCEXZLTN-UHFFFAOYSA-N 0 0 376.525 5.713 40 5 GKBBRN O=[N+]([O-])c1cccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)c1 ZINC000031716501 207383280 /nfs/dbraw/zinc/38/32/80/207383280.db2.gz HVTDXCCUTDYKSZ-ZEQRLZLVSA-N 0 0 382.419 5.518 40 5 GKBBRN O=C(CNc1cc(Cl)cc(Cl)c1)c1cc2c(ccc3ccccc32)oc1=O ZINC000101174620 208388213 /nfs/dbraw/zinc/38/82/13/208388213.db2.gz RIKINCRSWGHOLO-ODLFYWEKSA-N 0 0 398.245 6.222 40 5 GKBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225537908 208959070 /nfs/dbraw/zinc/95/90/70/208959070.db2.gz YTPZRIKHUSLLNL-UHFFFAOYSA-N 0 0 382.460 5.143 40 5 GKBBRN Cc1sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 ZINC000007967301 221017726 /nfs/dbraw/zinc/01/77/26/221017726.db2.gz IGZNHWCRZMFNSG-UHFFFAOYSA-N 0 0 391.811 5.072 40 5 GKBBRN Cc1c(NC(=O)N2c3ccccc3Sc3ccccc32)cccc1[N+](=O)[O-] ZINC000013717217 221284454 /nfs/dbraw/zinc/28/44/54/221284454.db2.gz NEJKPJQIGQSOFP-UHFFFAOYSA-N 0 0 377.425 5.738 40 5 GKBBRN COc1cccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)c1 ZINC000408977348 533614925 /nfs/dbraw/zinc/61/49/25/533614925.db2.gz WWRPSKKAVMKWJV-UHFFFAOYSA-N 0 0 385.448 5.259 40 5 GKBBRN Cc1ccccc1C(=O)Nc1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1Cl ZINC000072229109 136167604 /nfs/dbraw/zinc/16/76/04/136167604.db2.gz ZFMSOSXOIMAALO-CQSZACIVSA-N 0 0 387.867 5.188 40 5 GKBBRN O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000072229240 136167685 /nfs/dbraw/zinc/16/76/85/136167685.db2.gz WLMSHZKYCSJBRN-UHFFFAOYSA-N 0 0 394.258 5.144 40 5 GKBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000226362974 136192796 /nfs/dbraw/zinc/19/27/96/136192796.db2.gz BNEHVOCDNYIQBD-UHFFFAOYSA-N 0 0 396.855 5.620 40 5 GKBBRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000408922479 533751236 /nfs/dbraw/zinc/75/12/36/533751236.db2.gz BGEJETMEULCNRB-UHFFFAOYSA-N 0 0 392.480 5.756 40 5 GKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 ZINC000408609819 533912745 /nfs/dbraw/zinc/91/27/45/533912745.db2.gz OXDOTQPSHZPLPX-UHFFFAOYSA-N 0 0 378.428 5.103 40 5 GKBBRN COc1ccc(N(C)C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408976121 533980068 /nfs/dbraw/zinc/98/00/68/533980068.db2.gz POXHWCFPVRUMKQ-UHFFFAOYSA-N 0 0 399.475 5.283 40 5 GKBBRN O=C(Nc1cccc(Br)c1)Nc1cc2ncccc2c2cccnc12 ZINC000408977157 534324631 /nfs/dbraw/zinc/32/46/31/534324631.db2.gz UQJURGQIUQHZAS-UHFFFAOYSA-N 0 0 393.244 5.190 40 5 GKBBRN O=C(Nc1ccccc1Cl)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408622413 534391842 /nfs/dbraw/zinc/39/18/42/534391842.db2.gz QAFNBOBLLOKZTD-UHFFFAOYSA-N 0 0 377.183 5.414 40 5 GKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Cl ZINC000409183861 534564392 /nfs/dbraw/zinc/56/43/92/534564392.db2.gz UHFREZBUUCVICW-UHFFFAOYSA-N 0 0 383.787 5.398 40 5 GKBBRN O=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccc2ccccc2c1 ZINC000408973893 534568975 /nfs/dbraw/zinc/56/89/75/534568975.db2.gz CFVVTCODDHBOMP-UHFFFAOYSA-N 0 0 389.414 5.637 40 5 GKBBRN Cc1cccc(Cl)c1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408620896 534733622 /nfs/dbraw/zinc/73/36/22/534733622.db2.gz MSVYBMSVZGNTKT-UHFFFAOYSA-N 0 0 391.210 5.722 40 5 GKBBRN O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccc(Cl)cc1 ZINC000409193682 534822227 /nfs/dbraw/zinc/82/22/27/534822227.db2.gz LCDGCRSDATYFSR-RIYZIHGNSA-N 0 0 395.223 5.143 40 5 GKBBRN O=[N+]([O-])/C=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000408768168 534878475 /nfs/dbraw/zinc/87/84/75/534878475.db2.gz CLZFMLHLYQXXIG-AATRIKPKSA-N 0 0 388.685 5.307 40 5 GKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(Cl)cc1CO ZINC000409117607 534879546 /nfs/dbraw/zinc/87/95/46/534879546.db2.gz OFBVUUQOCVLSAT-UHFFFAOYSA-N 0 0 382.121 5.205 40 5 GKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(CNc2ccccc2)cc1 ZINC000409111300 534879846 /nfs/dbraw/zinc/87/98/46/534879846.db2.gz CEMRFTCYORDUJL-UHFFFAOYSA-N 0 0 388.345 6.018 40 5 GKBBRN O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c(-c2nc3ccccc3s2)c1 ZINC000409195547 534883356 /nfs/dbraw/zinc/88/33/56/534883356.db2.gz WHTQHISSAVKQCS-UHFFFAOYSA-N 0 0 398.896 6.676 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2ccccc2OCc2cccc3ccccc32)c1 ZINC000408559309 534886705 /nfs/dbraw/zinc/88/67/05/534886705.db2.gz VCRORWHLPLUBHH-UHFFFAOYSA-N 0 0 384.435 5.939 40 5 GKBBRN CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 ZINC000409117398 527956248 /nfs/dbraw/zinc/95/62/48/527956248.db2.gz XSMFFDMILYIWBP-MOSHPQCFSA-N 0 0 388.423 5.398 40 5 GKBBRN CC(C)COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000408623956 528144607 /nfs/dbraw/zinc/14/46/07/528144607.db2.gz VRDYPDBAJRCNKH-UHFFFAOYSA-N 0 0 397.456 5.005 40 5 GKBBRN CCCN(Cc1ccccc1)C(=S)Nc1cc2cccnc2c2cccnc12 ZINC000408973277 528146205 /nfs/dbraw/zinc/14/62/05/528146205.db2.gz AFVNESRODCSWON-UHFFFAOYSA-N 0 0 386.524 5.392 40 5 GKBBRN CCCCCN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409212483 528183171 /nfs/dbraw/zinc/18/31/71/528183171.db2.gz MQMHKMZTMAQTSS-ATVHPVEESA-N 0 0 386.429 5.081 40 5 GKBBRN CC1CCN(C(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)CC1 ZINC000408996143 528223216 /nfs/dbraw/zinc/22/32/16/528223216.db2.gz LCOCYCXOVOIGHH-UHFFFAOYSA-N 0 0 376.485 5.262 40 5 GKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(F)c1 ZINC000408613095 528285420 /nfs/dbraw/zinc/28/54/20/528285420.db2.gz XKVHIRCMAHVVSB-UHFFFAOYSA-N 0 0 396.418 5.324 40 5 GKBBRN CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409205855 528285596 /nfs/dbraw/zinc/28/55/96/528285596.db2.gz PLKPHZOMGZGPNQ-UHFFFAOYSA-N 0 0 396.418 5.324 40 5 GKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1F ZINC000408613609 528286277 /nfs/dbraw/zinc/28/62/77/528286277.db2.gz YTCIAKAPJBRMHI-UHFFFAOYSA-N 0 0 396.418 5.324 40 5 GKBBRN CCc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408620110 529159613 /nfs/dbraw/zinc/15/96/13/529159613.db2.gz KJEGHWURAOJIBP-UHFFFAOYSA-N 0 0 384.819 5.631 40 5 GKBBRN CC(C)(C)CC(C)(C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223424821 570246071 /nfs/dbraw/zinc/24/60/71/570246071.db2.gz SOIKJFSUFXMTOL-HMMYKYKNSA-N 0 0 380.488 5.466 40 5 GKBBRN C[C@H](CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000223425488 570246116 /nfs/dbraw/zinc/24/61/16/570246116.db2.gz HEKQWPILMUKJFU-OZHVRZOASA-N 0 0 386.451 5.055 40 5 GKBBRN Cc1c2ccccc2c(CSCC[C@@H]([NH3+])C(=O)[O-])c2ccc3ccccc3c12 ZINC000001678476 570267370 /nfs/dbraw/zinc/26/73/70/570267370.db2.gz PZYDJZNTAVBABA-JOCHJYFZSA-N 0 0 389.520 5.490 40 5 GKBBRN c1ccc2c(c1)ccc1c2cc2ccccc2c1-c1ccc(N2CCOCC2)cc1 ZINC000001759619 570267999 /nfs/dbraw/zinc/26/79/99/570267999.db2.gz RURXLCYZLYJCHK-UHFFFAOYSA-N 0 0 389.498 6.650 40 5 GKBBRN Cc1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1-c1ccc(C)cc1 ZINC000000947325 570275910 /nfs/dbraw/zinc/27/59/10/570275910.db2.gz NCDLSABRNXXOJP-UHFFFAOYSA-N 0 0 387.848 5.241 40 5 GKBBRN CC(C)c1ccc(C(=O)Nc2cc(N3CCCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229136 570318813 /nfs/dbraw/zinc/31/88/13/570318813.db2.gz BCAGWMMFOJTPPC-UHFFFAOYSA-N 0 0 387.867 5.224 40 5 GKBBRN CCCCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229470 570318887 /nfs/dbraw/zinc/31/88/87/570318887.db2.gz TYOFECIBEIRJOG-UHFFFAOYSA-N 0 0 383.231 5.333 40 5 GKBBRN O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000000783167 570323843 /nfs/dbraw/zinc/32/38/43/570323843.db2.gz RRNHSCGHVCZZII-UHFFFAOYSA-N 0 0 385.832 5.047 40 5 aggregator GKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccccc1OCc1cccc(F)c1 ZINC000408573584 570326625 /nfs/dbraw/zinc/32/66/25/570326625.db2.gz TXFNOIQFOYFDIU-NRFANRHFSA-N 0 0 390.414 5.295 40 5 GKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1C ZINC000006215890 570342843 /nfs/dbraw/zinc/34/28/43/570342843.db2.gz ZBADHFWOMFPMKE-UHFFFAOYSA-N 0 0 387.395 5.272 40 5 GKBBRN CC(=O)Nc1cccc2c1ccc1nc(-c3ccccc3)c(-c3ccccc3)nc12 ZINC000003844712 570351621 /nfs/dbraw/zinc/35/16/21/570351621.db2.gz JNPUCIYPTGBANA-UHFFFAOYSA-N 0 0 389.458 6.075 40 5 GKBBRN CCCCc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000408621983 570352075 /nfs/dbraw/zinc/35/20/75/570352075.db2.gz OGTDTRZLWTZKSG-UHFFFAOYSA-N 0 0 381.476 5.180 40 5 GKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1 ZINC000000824710 570374810 /nfs/dbraw/zinc/37/48/10/570374810.db2.gz OMJGZSANHAXAIK-UHFFFAOYSA-N 0 0 387.395 5.272 40 5 GKBBRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000006615043 570377001 /nfs/dbraw/zinc/37/70/01/570377001.db2.gz XFLVUWQABZRWOV-UHFFFAOYSA-N 0 0 394.258 5.144 40 5 GKBBRN C[C@@]12CC[C@@H]3c4ccc(Cc5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004946136 570377028 /nfs/dbraw/zinc/37/70/28/570377028.db2.gz QABYAMHXIHGLLY-KNAFXUBQSA-N 0 0 389.495 5.611 40 5 GKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(C)cc1 ZINC000408573974 570384466 /nfs/dbraw/zinc/38/44/66/570384466.db2.gz UHWBOUGKMDLAAQ-HXUWFJFHSA-N 0 0 396.516 5.118 40 5 GKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000408621246 570387583 /nfs/dbraw/zinc/38/75/83/570387583.db2.gz KWAWTDCSRFJFNQ-UHFFFAOYSA-N 0 0 383.231 5.006 40 5 GKBBRN COc1ccccc1[C@@H](Nc1cccc([N+](=O)[O-])c1)c1c(C)[nH]c2ccccc21 ZINC000001298082 570412581 /nfs/dbraw/zinc/41/25/81/570412581.db2.gz IJBXTSLHRXTUHJ-HSZRJFAPSA-N 0 0 387.439 5.595 40 5 GKBBRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2c3ccccc3cc3ccccc32)S1 ZINC000222569070 570415030 /nfs/dbraw/zinc/41/50/30/570415030.db2.gz SNDMOXQBTGIDPK-VILGCMSXSA-N 0 0 395.531 5.977 40 5 GKBBRN Cc1c(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cccc1[N+](=O)[O-] ZINC000006455958 570425453 /nfs/dbraw/zinc/42/54/53/570425453.db2.gz LSOQLPGELSQYFJ-UHFFFAOYSA-N 0 0 382.228 5.072 40 5 GKBBRN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000005177239 570430770 /nfs/dbraw/zinc/43/07/70/570430770.db2.gz RIIZNUPWKMIXJW-UHFFFAOYSA-N 0 0 398.374 6.007 40 5 GKBBRN Cc1c2nc(-c3ccc([N+](=O)[O-])cc3)oc2c(C(C)C)c(O)c1Br ZINC000026787180 570437657 /nfs/dbraw/zinc/43/76/57/570437657.db2.gz MEGCDAKSOVWRNB-UHFFFAOYSA-N 0 0 391.221 5.303 40 5 GKBBRN O=C(/C=C/c1ccc(Cl)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000001945837 570450670 /nfs/dbraw/zinc/45/06/70/570450670.db2.gz NBVLOFGKRSLIDY-RMKNXTFCSA-N 0 0 385.832 5.024 40 5 GKBBRN O=c1c2ccccc2c2nccc3c4cc(OCc5ccccc5)ccc4n1c32 ZINC000006624416 570455622 /nfs/dbraw/zinc/45/56/22/570455622.db2.gz OXBSPPACOHHZJE-UHFFFAOYSA-N 0 0 376.415 5.171 40 5 biogenic GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000006276688 570475651 /nfs/dbraw/zinc/47/56/51/570475651.db2.gz NNPGXNNMHLKNCA-LJIDWTEXSA-N 0 0 389.282 6.198 40 5 GKBBRN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000000849436 570477978 /nfs/dbraw/zinc/47/79/78/570477978.db2.gz FELNYOCSESOIQK-UHFFFAOYSA-N 0 0 393.786 5.309 40 5 GKBBRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000224517699 570492313 /nfs/dbraw/zinc/49/23/13/570492313.db2.gz NILRTBJNAFINBU-ZDUSSCGKSA-N 0 0 376.840 5.086 40 5 GKBBRN CC(=O)c1ccc(Oc2ccc(C(=O)c3ccc(C)c(C)c3)cc2[N+](=O)[O-])cc1 ZINC000000864920 570500391 /nfs/dbraw/zinc/50/03/91/570500391.db2.gz SRMFHDVVABUSKA-UHFFFAOYSA-N 0 0 389.407 5.438 40 5 aggregator GKBBRN CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000006629909 570505918 /nfs/dbraw/zinc/50/59/18/570505918.db2.gz ACJFACWTPZFWNK-YRNVUSSQSA-N 0 0 387.867 5.055 40 5 GKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699685 570512979 /nfs/dbraw/zinc/51/29/79/570512979.db2.gz QIDRYXZKATWTBR-UHFFFAOYSA-N 0 0 382.803 5.080 40 5 GKBBRN COc1ccc(-c2cc(-c3ccc(O)cc3)nc3ccc4ccccc4c32)cc1 ZINC000009239150 570553493 /nfs/dbraw/zinc/55/34/93/570553493.db2.gz ORRYIMWYOGXMGL-UHFFFAOYSA-N 0 0 377.443 6.436 40 5 GKBBRN Cc1cc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2cc1Cl ZINC000006826363 570622062 /nfs/dbraw/zinc/62/20/62/570622062.db2.gz ZDCBQYGQPVWUQX-UHFFFAOYSA-N 0 0 382.228 5.072 40 5 GKBBRN Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000005536625 570626957 /nfs/dbraw/zinc/62/69/57/570626957.db2.gz SADOKUMEJXXHMR-UHFFFAOYSA-N 0 0 394.814 5.040 40 5 GKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004866653 570641453 /nfs/dbraw/zinc/64/14/53/570641453.db2.gz JJDDNVXMGRVWLU-UHFFFAOYSA-N 0 0 377.183 5.414 40 5 GKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2ccccc2c1 ZINC000006865049 570652903 /nfs/dbraw/zinc/65/29/03/570652903.db2.gz DDDQDKKBDXCLLZ-UHFFFAOYSA-N 0 0 375.409 5.124 40 5 GKBBRN O=C(Nc1ccc2ccccc2c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000006886218 570674443 /nfs/dbraw/zinc/67/44/43/570674443.db2.gz YGYCKPNNPOXGBM-UHFFFAOYSA-N 0 0 392.798 5.914 40 5 GKBBRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1c2ccccc2cc2ccccc21 ZINC000002816646 570721524 /nfs/dbraw/zinc/72/15/24/570721524.db2.gz IDIAEJSCRSLAQD-HYARGMPZSA-N 0 0 383.834 5.991 40 5 GKBBRN O=[N+]([O-])c1cc(Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC000034515096 570794906 /nfs/dbraw/zinc/79/49/06/570794906.db2.gz ZPNHAOMFUZPNML-UHFFFAOYSA-N 0 0 396.199 5.333 40 5 GKBBRN Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000007388565 570835190 /nfs/dbraw/zinc/83/51/90/570835190.db2.gz STXJPBFEKWBEBV-UHFFFAOYSA-N 0 0 387.867 5.045 40 5 GKBBRN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004697632 570836715 /nfs/dbraw/zinc/83/67/15/570836715.db2.gz VOMFOUDELWGIPC-JOCHJYFZSA-N 0 0 386.451 5.156 40 5 GKBBRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc([N+](=O)[O-])o1 ZINC000017078039 570926552 /nfs/dbraw/zinc/92/65/52/570926552.db2.gz NALHJOIJYANGHL-UHFFFAOYSA-N 0 0 382.155 5.112 40 5 GKBBRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000017080059 570926875 /nfs/dbraw/zinc/92/68/75/570926875.db2.gz KCIGLQQOACELCH-UHFFFAOYSA-N 0 0 392.194 5.519 40 5 GKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1Cl ZINC000017081182 570926939 /nfs/dbraw/zinc/92/69/39/570926939.db2.gz JQAQGYUMHZMCSL-PKNBQFBNSA-N 0 0 396.830 5.777 40 5 GKBBRN O=C(Nc1cccc(C(F)(F)F)c1)n1c2ccccc2c(=O)c2ccccc21 ZINC000016525196 570927444 /nfs/dbraw/zinc/92/74/44/570927444.db2.gz QCFAIGLWUWXYDX-UHFFFAOYSA-N 0 0 382.341 5.254 40 5 GKBBRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(C)C ZINC000223263965 570991589 /nfs/dbraw/zinc/99/15/89/570991589.db2.gz UHFWSPXSDHCEEZ-CYBMUJFWSA-N 0 0 390.867 5.180 40 5 GKBBRN Cc1noc(/C=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c1[N+](=O)[O-] ZINC000408543964 231056573 /nfs/dbraw/zinc/05/65/73/231056573.db2.gz RAYFHTGLVAIXJX-UKTHLTGXSA-N 0 0 386.407 5.794 40 5 GKBBRN Cc1noc(/C=C\c2cccc(OCc3cccc4ccccc43)c2)c1[N+](=O)[O-] ZINC000408541069 231054917 /nfs/dbraw/zinc/05/49/17/231054917.db2.gz BGEDTZKAELEPSE-SEYXRHQNSA-N 0 0 386.407 5.794 40 5 GKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000408613042 231079612 /nfs/dbraw/zinc/07/96/12/231079612.db2.gz WSEZAPZVMKKODE-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN O=[N+]([O-])c1ccc(NCc2ccccc2OCc2cccc3ccccc32)cc1 ZINC000408609141 231078281 /nfs/dbraw/zinc/07/82/81/231078281.db2.gz OHDGHDYWIGVYHP-UHFFFAOYSA-N 0 0 384.435 5.939 40 5 GKBBRN Cc1ccc(COc2ccc3ccccc3c2CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408609089 231078920 /nfs/dbraw/zinc/07/89/20/231078920.db2.gz NVEBIVCAOHSMLU-UHFFFAOYSA-N 0 0 398.462 6.248 40 5 GKBBRN Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] ZINC000408624752 231086449 /nfs/dbraw/zinc/08/64/49/231086449.db2.gz ZPZUJHCGXYCHHE-ZRDIBKRKSA-N 0 0 382.803 5.469 40 5 GKBBRN Cc1c(Cl)cccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408908695 231129762 /nfs/dbraw/zinc/12/97/62/231129762.db2.gz XYRCJYGZBPPNPE-XMHGGMMESA-N 0 0 392.842 5.736 40 5 GKBBRN O=C(Nc1ccc2ccccc2c1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408975126 231139252 /nfs/dbraw/zinc/13/92/52/231139252.db2.gz HWLDIZXMESGOJI-UHFFFAOYSA-N 0 0 388.430 5.670 40 5 GKBBRN O=c1[nH]c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCCC3 ZINC000408996856 231143568 /nfs/dbraw/zinc/14/35/68/231143568.db2.gz BATGTWGZYGFWDW-UHFFFAOYSA-N 0 0 389.864 5.285 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000408997766 231144066 /nfs/dbraw/zinc/14/40/66/231144066.db2.gz SUHCWRDXYDFBEI-AFESJLNVSA-N 0 0 392.458 6.219 40 5 GKBBRN Cc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000409115552 231164125 /nfs/dbraw/zinc/16/41/25/231164125.db2.gz JMDVJCMJOHTQHY-UHFFFAOYSA-N 0 0 393.399 5.524 40 5 GKBBRN Cc1ccc(NCc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409117931 231165640 /nfs/dbraw/zinc/16/56/40/231165640.db2.gz MDLMDJBJCGVROC-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 ZINC000409095381 231159164 /nfs/dbraw/zinc/15/91/64/231159164.db2.gz HSAAEYQHSLRZCP-ODLFYWEKSA-N 0 0 378.409 5.249 40 5 GKBBRN Cc1ccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)c([N+](=O)[O-])c1 ZINC000409101386 231160614 /nfs/dbraw/zinc/16/06/14/231160614.db2.gz BNPSOJYYCNDYAX-ODLFYWEKSA-N 0 0 378.409 5.249 40 5 GKBBRN Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000409109780 231162945 /nfs/dbraw/zinc/16/29/45/231162945.db2.gz LGTDZWSQXOCTHY-UHFFFAOYSA-N 0 0 396.874 6.056 40 5 GKBBRN O=[N+]([O-])c1cc(-c2nc3ccccc3s2)ccc1Sc1ccc(Cl)cc1 ZINC000409192660 231177154 /nfs/dbraw/zinc/17/71/54/231177154.db2.gz DMLVRIIVQJXGKH-UHFFFAOYSA-N 0 0 398.896 6.676 40 5 GKBBRN CN(C)c1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408977919 529784989 /nfs/dbraw/zinc/78/49/89/529784989.db2.gz ZIZFTIAQDLZLQI-UHFFFAOYSA-N 0 0 398.491 5.316 40 5 GKBBRN Cc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)cc1 ZINC000014577224 210121902 /nfs/dbraw/zinc/12/19/02/210121902.db2.gz HXPJFMGLDCJFRI-FQEVSTJZSA-N 0 0 380.831 5.076 40 5 GKBBRN O=[N+]([O-])c1ccccc1Sc1cccc(Sc2ccccc2[N+](=O)[O-])n1 ZINC000013213414 210055689 /nfs/dbraw/zinc/05/56/89/210055689.db2.gz HIPQXUQZXCERFH-UHFFFAOYSA-N 0 0 385.426 5.200 40 5 GKBBRN Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 ZINC000007686083 209740429 /nfs/dbraw/zinc/74/04/29/209740429.db2.gz JIQUPPVWLOLEPO-FQEVSTJZSA-N 0 0 380.831 5.076 40 5 GKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000002408613 209363108 /nfs/dbraw/zinc/36/31/08/209363108.db2.gz MADXKLXEIQKNHS-UHFFFAOYSA-N 0 0 393.424 5.438 40 5 GKBBRN O=c1c2ccccc2c2nccc3c4cc(OCc5cccc(F)c5)ccc4n1c32 ZINC000006624514 209233006 /nfs/dbraw/zinc/23/30/06/209233006.db2.gz VRAAYSGLLWGWKH-UHFFFAOYSA-N 0 0 394.405 5.310 40 5 biogenic GKBBRN O=[N+]([O-])c1ccc(C(SCc2ccccc2)SCc2ccccc2)cc1 ZINC000001712060 212254074 /nfs/dbraw/zinc/25/40/74/212254074.db2.gz CCRUNYVIZSABGB-UHFFFAOYSA-N 0 0 381.522 6.460 40 5 GKBBRN COc1ccccc1OC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000008040412 212074669 /nfs/dbraw/zinc/07/46/69/212074669.db2.gz AZXOVDBDDSTCGC-UHFFFAOYSA-N 0 0 399.786 5.268 40 5 GKBBRN O=C(c1ccccc1)[C@H](c1ccccc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003844553 204019190 /nfs/dbraw/zinc/01/91/90/204019190.db2.gz BQGRLOVNVQYFMI-LJQANCHMSA-N 0 0 396.786 5.171 40 5 GKBBRN CCOc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1 ZINC000004543522 204051004 /nfs/dbraw/zinc/05/10/04/204051004.db2.gz ZLQCRYZLFSTENA-UHFFFAOYSA-N 0 0 375.471 7.121 40 5 GKBBRN O=[N+]([O-])c1ccc(N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000016711401 204598852 /nfs/dbraw/zinc/59/88/52/204598852.db2.gz BNKJVKISUJVWMJ-LNVKXUELSA-N 0 0 388.452 5.042 40 5 GKBBRN Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000022512771 204782014 /nfs/dbraw/zinc/78/20/14/204782014.db2.gz YJYXNSPMRHSIIP-OZHVRZOASA-N 0 0 386.451 5.321 40 5 GKBBRN CCN(CC)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000072229250 205319059 /nfs/dbraw/zinc/31/90/59/205319059.db2.gz HHFXHHFLPATGOO-UHFFFAOYSA-N 0 0 382.247 5.000 40 5 GKBBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2c3ccccc3cc3ccccc32)S1 ZINC000222568955 211805376 /nfs/dbraw/zinc/80/53/76/211805376.db2.gz SNDMOXQBTGIDPK-XRJVTAMDSA-N 0 0 395.531 5.977 40 5 GKBBRN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000004893821 205754907 /nfs/dbraw/zinc/75/49/07/205754907.db2.gz CTGWZLOICHETMW-UHFFFAOYSA-N 0 0 377.183 5.414 40 5 GKBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl ZINC000225538666 206054722 /nfs/dbraw/zinc/05/47/22/206054722.db2.gz KKNHQDIOOXJVKL-UHFFFAOYSA-N 0 0 388.851 5.097 40 5 GKBBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 ZINC000225536306 206055219 /nfs/dbraw/zinc/05/52/19/206055219.db2.gz TXTALWLOOINSDN-QGZVFWFLSA-N 0 0 396.487 5.613 40 5 GKBBRN CC(C)(C)c1ccc(Cn2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc32)cc1 ZINC000024522952 206254269 /nfs/dbraw/zinc/25/42/69/206254269.db2.gz HLOSKNAFKGNRRE-UHFFFAOYSA-N 0 0 385.467 5.957 40 5 GKBBRN COc1ccccc1[C@H](Nc1cccc([N+](=O)[O-])c1)c1c(C)[nH]c2ccccc21 ZINC000001298083 206372073 /nfs/dbraw/zinc/37/20/73/206372073.db2.gz IJBXTSLHRXTUHJ-QHCPKHFHSA-N 0 0 387.439 5.595 40 5 GKBBRN O=C(NCc1ccc(Cl)cc1)OCc1c2ccccc2cc2ccccc21 ZINC000001566127 206385671 /nfs/dbraw/zinc/38/56/71/206385671.db2.gz RDKPROIPLXKWLS-UHFFFAOYSA-N 0 0 375.855 6.073 40 5 GKBBRN Brc1ccc(-c2c3ccccc3cc3c4ccccc4ccc32)cc1 ZINC000001692186 206390201 /nfs/dbraw/zinc/39/02/01/206390201.db2.gz RQHBWXFKDLJVFJ-UHFFFAOYSA-N 0 0 383.288 7.576 40 5 GKBBRN c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccccc4ccc23)cc1 ZINC000001759418 206391879 /nfs/dbraw/zinc/39/18/79/206391879.db2.gz SGNFKSXXWGYYKA-UHFFFAOYSA-N 0 0 380.490 8.480 40 5 GKBBRN COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)cc1Cl ZINC000005259551 206602821 /nfs/dbraw/zinc/60/28/21/206602821.db2.gz NAAZOUSRAVRLLT-UHFFFAOYSA-N 0 0 398.249 5.351 40 5 GKBBRN Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000030848143 207374975 /nfs/dbraw/zinc/37/49/75/207374975.db2.gz JSCYQAQHBQGSSN-FQEVSTJZSA-N 0 0 380.831 5.076 40 5 GKBBRN O=[N+]([O-])c1cccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)c1 ZINC000031716498 207384231 /nfs/dbraw/zinc/38/42/31/207384231.db2.gz HVTDXCCUTDYKSZ-BJKOFHAPSA-N 0 0 382.419 5.518 40 5 GKBBRN Cc1ccc(Oc2ccc3c4c(c([N+](=O)[O-])n3C)-c3ccccc3C(=O)c42)cc1 ZINC000085409359 208099557 /nfs/dbraw/zinc/09/95/57/208099557.db2.gz FASWLTCVERPZRR-UHFFFAOYSA-N 0 0 384.391 5.399 40 5 GKBBRN COc1ccc(Nc2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 ZINC000081217761 208077742 /nfs/dbraw/zinc/07/77/42/208077742.db2.gz QAJVOKQBHHUTAS-UHFFFAOYSA-N 0 0 380.791 5.097 40 5 GKBBRN Cc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000019932847 210309068 /nfs/dbraw/zinc/30/90/68/210309068.db2.gz JNZAXSVYXDLSSV-HXUWFJFHSA-N 0 0 380.831 5.076 40 5 GKBBRN Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c2)cc1 ZINC000005002709 208662702 /nfs/dbraw/zinc/66/27/02/208662702.db2.gz ZPUQWXJEGZRMER-UHFFFAOYSA-N 0 0 392.367 5.006 40 5 GKBBRN CC1(C)Oc2ccc3c(c2O1)[C@H]1CCCC[C@H]1O[C@@H]3c1cccc([N+](=O)[O-])c1 ZINC000012402506 221188728 /nfs/dbraw/zinc/18/87/28/221188728.db2.gz TVXJXQLIRDPFDY-XAUMDUMWSA-N 0 0 381.428 5.248 40 5 GKBBRN O=[N+]([O-])c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)s2)s1 ZINC000016488070 221363155 /nfs/dbraw/zinc/36/31/55/221363155.db2.gz XLBGCVLDIOTAKK-UHFFFAOYSA-N 0 0 378.478 6.855 40 5 GKBBRN O=c1oc2ccc3ccccc3c2cc1-c1cc2c(ccc3ccccc32)oc1=O ZINC000016526081 221364703 /nfs/dbraw/zinc/36/47/03/221364703.db2.gz QVIOBDGGEYVLBN-UHFFFAOYSA-N 0 0 390.394 5.873 40 5 GKBBRN Cc1ccc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(Cl)c1 ZINC000409055032 533610145 /nfs/dbraw/zinc/61/01/45/533610145.db2.gz XLIKAGDTNCDXTD-UHFFFAOYSA-N 0 0 398.871 5.960 40 5 GKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2F)c(Cl)cc1[N+](=O)[O-] ZINC000072229244 136167627 /nfs/dbraw/zinc/16/76/27/136167627.db2.gz LSNSCGZXPLBAQR-GFCCVEGCSA-N 0 0 391.830 5.018 40 5 GKBBRN Cc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229102 136167713 /nfs/dbraw/zinc/16/77/13/136167713.db2.gz KYOXSMZAFWRRBV-AWEZNQCLSA-N 0 0 387.867 5.188 40 5 GKBBRN Cc1ccc(CN(C)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000030855622 221704895 /nfs/dbraw/zinc/70/48/95/221704895.db2.gz IOBWZIQSAPINBQ-XQNSMLJCSA-N 0 0 386.451 5.102 40 5 GKBBRN O=[N+]([O-])c1cccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)c1 ZINC000031716503 221713768 /nfs/dbraw/zinc/71/37/68/221713768.db2.gz HVTDXCCUTDYKSZ-DNQXCXABSA-N 0 0 382.419 5.518 40 5 GKBBRN Cc1ccc(C)c(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 ZINC000409117412 533686354 /nfs/dbraw/zinc/68/63/54/533686354.db2.gz LUROJCCBRLHGCS-UHFFFAOYSA-N 0 0 393.399 5.524 40 5 GKBBRN Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc21 ZINC000408619979 533718719 /nfs/dbraw/zinc/71/87/19/533718719.db2.gz FOTOFQSIDHOKJL-UHFFFAOYSA-N 0 0 393.424 5.334 40 5 GKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 ZINC000408610004 533912648 /nfs/dbraw/zinc/91/26/48/533912648.db2.gz QALLPACVQQEYSI-UHFFFAOYSA-N 0 0 398.846 5.448 40 5 GKBBRN COc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119473 533911711 /nfs/dbraw/zinc/91/17/11/533911711.db2.gz UGVWLSZYXMXGTA-UHFFFAOYSA-N 0 0 392.455 5.411 40 5 GKBBRN COc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409114122 533915032 /nfs/dbraw/zinc/91/50/32/533915032.db2.gz CMABVUACZMIZRD-UHFFFAOYSA-N 0 0 398.846 5.448 40 5 GKBBRN Cc1c(NC(=O)c2ccc(CSc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000008331203 533918528 /nfs/dbraw/zinc/91/85/28/533918528.db2.gz BXUQUFMIUDENKB-UHFFFAOYSA-N 0 0 378.453 5.448 40 5 GKBBRN O=C(Nc1ccccc1Cl)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408977205 534391481 /nfs/dbraw/zinc/39/14/81/534391481.db2.gz VWNIOEVUXMVGAH-UHFFFAOYSA-N 0 0 389.867 5.903 40 5 GKBBRN O=C1NC(Nc2ccccc2F)S/C1=C\c1c2ccccc2cc2ccccc21 ZINC000408819200 534802688 /nfs/dbraw/zinc/80/26/88/534802688.db2.gz YOFDXIOSRNQFBD-UHFFFAOYSA-N 0 0 399.470 5.895 40 5 GKBBRN O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1 ZINC000409094946 534803999 /nfs/dbraw/zinc/80/39/99/534803999.db2.gz GPPNKIJMBJKWNM-ZDLGFXPLSA-N 0 0 382.372 5.079 40 5 GKBBRN Cc1ccccc1NCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409120748 534824029 /nfs/dbraw/zinc/82/40/29/534824029.db2.gz SOHMZALICYSMFG-UHFFFAOYSA-N 0 0 379.372 5.216 40 5 GKBBRN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccc(Cl)cc1 ZINC000059498094 534852930 /nfs/dbraw/zinc/85/29/30/534852930.db2.gz JNYLZGFRAWCUTO-FQEVSTJZSA-N 0 0 393.830 5.015 40 5 GKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408569588 534878155 /nfs/dbraw/zinc/87/81/55/534878155.db2.gz JRQANSWKYAKRRF-QFIPXVFZSA-N 0 0 390.414 5.295 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccccc2F)c1 ZINC000408556078 534886135 /nfs/dbraw/zinc/88/61/35/534886135.db2.gz HMWYGLUQTKAKRZ-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc4ccccc43)cc2)c1 ZINC000408557863 534886340 /nfs/dbraw/zinc/88/63/40/534886340.db2.gz PCSLBRWDGCFZBA-UHFFFAOYSA-N 0 0 384.435 5.939 40 5 GKBBRN CC(C)(C)c1ccc(OC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 ZINC000408976075 526784072 /nfs/dbraw/zinc/78/40/72/526784072.db2.gz PCNTWQVLWGFCSA-UHFFFAOYSA-N 0 0 395.462 5.781 40 5 GKBBRN CC(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 ZINC000409336959 528136289 /nfs/dbraw/zinc/13/62/89/528136289.db2.gz RNTXUYUYRDQYCG-HVCNVCAESA-N 0 0 384.479 6.189 40 5 GKBBRN CCCCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409208082 528183636 /nfs/dbraw/zinc/18/36/36/528183636.db2.gz ARKCTZYCBJSIFK-ATVHPVEESA-N 0 0 386.429 5.081 40 5 GKBBRN CCCC[C@H](CC)CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223425128 570246010 /nfs/dbraw/zinc/24/60/10/570246010.db2.gz NZOZTTYMMYDTRA-RMDTYCCRSA-N 0 0 380.488 5.468 40 5 GKBBRN COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3NC(C)=O)c2n1 ZINC000001558200 570264656 /nfs/dbraw/zinc/26/46/56/570264656.db2.gz XAYCWPMXKOKYBU-UHFFFAOYSA-N 0 0 392.846 5.147 40 5 GKBBRN CCOC(=O)Nc1c2ccccc2c(NC(=O)OCC)c2cc(Cl)ccc21 ZINC000001600635 570265632 /nfs/dbraw/zinc/26/56/32/570265632.db2.gz QSGVFBGIAGOGFT-UHFFFAOYSA-N 0 0 386.835 5.783 40 5 GKBBRN Cc1cc2nc3c(nc2cc1C)C(O)[C@H](c1c2ccccc2cc2ccccc21)O3 ZINC000103904797 570296944 /nfs/dbraw/zinc/29/69/44/570296944.db2.gz GMMAJESXCWPQIU-VWLOTQADSA-N 0 0 392.458 6.606 40 5 GKBBRN CCc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000226092694 570306630 /nfs/dbraw/zinc/30/66/30/570306630.db2.gz AITUNOPXNGEKHV-UHFFFAOYSA-N 0 0 397.656 5.134 40 5 GKBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cc(Br)ccc1Cl ZINC000072228642 570318864 /nfs/dbraw/zinc/31/88/64/570318864.db2.gz BLQDHMMEVLNBDG-UHFFFAOYSA-N 0 0 397.656 5.134 40 5 GKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000016346829 570326433 /nfs/dbraw/zinc/32/64/33/570326433.db2.gz FJUURJCQVYEXHA-PKNBQFBNSA-N 0 0 382.803 5.469 40 5 GKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000408575491 570331355 /nfs/dbraw/zinc/33/13/55/570331355.db2.gz VEFTVPIKHWWMMQ-CSKARUKUSA-N 0 0 382.803 5.469 40 5 GKBBRN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]3(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004854050 570348111 /nfs/dbraw/zinc/34/81/11/570348111.db2.gz VFNOCZDRPAHBAQ-UPVQGACJSA-N 0 0 399.450 5.320 40 5 GKBBRN O=[N+]([O-])c1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccccc2)cc1 ZINC000000826962 570374835 /nfs/dbraw/zinc/37/48/35/570374835.db2.gz YMWVVNRXRGIEDD-UHFFFAOYSA-N 0 0 380.407 5.800 40 5 GKBBRN Cc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(SCc2ccccc2Cl)n1 ZINC000000832564 570380615 /nfs/dbraw/zinc/38/06/15/570380615.db2.gz ZWMJQIPKOUQIRM-UHFFFAOYSA-N 0 0 387.848 5.431 40 5 GKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1cccc(C)c1 ZINC000408577373 570384625 /nfs/dbraw/zinc/38/46/25/570384625.db2.gz ZCLDFHSJHIIXHT-HXUWFJFHSA-N 0 0 396.516 5.118 40 5 GKBBRN O=Cc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000035668618 570406549 /nfs/dbraw/zinc/40/65/49/570406549.db2.gz ZPBWLQGDDNQCEZ-UHFFFAOYSA-N 0 0 380.105 5.525 40 5 GKBBRN C(=C\c1c2ccccc2nc2ccccc12)\c1c2ccccc2nc2ccccc12 ZINC000004824560 570409176 /nfs/dbraw/zinc/40/91/76/570409176.db2.gz HPHSXUJDNGYBHI-ZCXUNETKSA-N 0 0 382.466 7.260 40 5 GKBBRN Cc1cc(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)ccc1[N+](=O)[O-] ZINC000006471966 570443752 /nfs/dbraw/zinc/44/37/52/570443752.db2.gz QLKXESQSNKDCGW-UHFFFAOYSA-N 0 0 382.228 5.072 40 5 GKBBRN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc([N+](=O)[O-])o1 ZINC000006496540 570454145 /nfs/dbraw/zinc/45/41/45/570454145.db2.gz XACMOVHQIMTDDI-UHFFFAOYSA-N 0 0 399.362 5.402 40 5 GKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000006215903 570472204 /nfs/dbraw/zinc/47/22/04/570472204.db2.gz HRIIQWWZXLKBDU-UHFFFAOYSA-N 0 0 387.395 5.272 40 5 GKBBRN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000000849437 570478016 /nfs/dbraw/zinc/47/80/16/570478016.db2.gz IANQHVAZJUJJGL-UHFFFAOYSA-N 0 0 393.786 5.309 40 5 GKBBRN COc1cc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000000828110 570486056 /nfs/dbraw/zinc/48/60/56/570486056.db2.gz VGVROVFLASDDPI-QHCPKHFHSA-N 0 0 389.407 5.026 40 5 GKBBRN Cc1noc(C)c1CCC(=O)Nc1c2ccccc2n2c1c1ccccc1nc2C ZINC000032675775 570513263 /nfs/dbraw/zinc/51/32/63/570513263.db2.gz JSZYLZKOTQVBMA-UHFFFAOYSA-N 0 0 398.466 5.125 40 5 GKBBRN CCN(c1ccccc1)c1nc(C)nc(N(CC)c2ccccc2)c1[N+](=O)[O-] ZINC000005250256 570524953 /nfs/dbraw/zinc/52/49/53/570524953.db2.gz VJRAXVOZDPLTND-UHFFFAOYSA-N 0 0 377.448 5.009 40 5 GKBBRN COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(ccc4ccccc43)n2)cc1 ZINC000009239130 570553591 /nfs/dbraw/zinc/55/35/91/570553591.db2.gz VBDQKBCDMKNGIW-UHFFFAOYSA-N 0 0 391.470 6.739 40 5 GKBBRN O=C1c2ccccc2C[C@@H]1Sc1ncnc2c3cc4ccccc4nc3sc21 ZINC000001327866 570567212 /nfs/dbraw/zinc/56/72/12/570567212.db2.gz QKFUZRLINJIBDZ-KRWDZBQOSA-N 0 0 399.500 5.292 40 5 GKBBRN O=C1c2ccccc2C[C@H]1Sc1ncnc2c3cc4ccccc4nc3sc21 ZINC000001327867 570567219 /nfs/dbraw/zinc/56/72/19/570567219.db2.gz QKFUZRLINJIBDZ-QGZVFWFLSA-N 0 0 399.500 5.292 40 5 GKBBRN CCc1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000005471635 570604394 /nfs/dbraw/zinc/60/43/94/570604394.db2.gz NNJFGVHQBUCPSC-UHFFFAOYSA-N 0 0 387.395 5.218 40 5 GKBBRN Cc1c(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cccc1[N+](=O)[O-] ZINC000005532842 570626371 /nfs/dbraw/zinc/62/63/71/570626371.db2.gz WXSWKPXRYVLGEW-UHFFFAOYSA-N 0 0 389.436 5.432 40 5 GKBBRN O=c1c2cccc3cccc(c4nc5ccc6c7c(ccc(c75)n14)-c1ccccc1-6)c32 ZINC000004696708 570636193 /nfs/dbraw/zinc/63/61/93/570636193.db2.gz XOXJFSLKNOZEKO-UHFFFAOYSA-N 0 0 394.433 6.393 40 5 GKBBRN O=[N+]([O-])c1ccc(SN2CCCC[C@H]2CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000005551041 570636450 /nfs/dbraw/zinc/63/64/50/570636450.db2.gz OWOSFBGBODHDIR-HNNXBMFYSA-N 0 0 379.482 5.335 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000226333037 570643029 /nfs/dbraw/zinc/64/30/29/570643029.db2.gz NNPGXNNMHLKNCA-INWQGPQCSA-N 0 0 389.282 6.198 40 5 GKBBRN O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000004952367 570646439 /nfs/dbraw/zinc/64/64/39/570646439.db2.gz BBAPBQCNTKRJIN-UHFFFAOYSA-N 0 0 382.228 5.244 40 5 GKBBRN Cc1cccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C)c2)c1 ZINC000005003156 570652738 /nfs/dbraw/zinc/65/27/38/570652738.db2.gz LZBQRKNFMJGKCT-UHFFFAOYSA-N 0 0 392.367 5.006 40 5 GKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc2ccc(Cl)cc2s1 ZINC000006861748 570652898 /nfs/dbraw/zinc/65/28/98/570652898.db2.gz SWEUOIGKKMJVCY-QHHAFSJGSA-N 0 0 394.239 5.163 40 5 GKBBRN O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)nc3ccc(F)cc32)cc1 ZINC000004973932 570655448 /nfs/dbraw/zinc/65/54/48/570655448.db2.gz AHFHZILFHCFKCU-UHFFFAOYSA-N 0 0 391.427 5.636 40 5 GKBBRN C(=C/c1c2ccccc2cc2ccccc21)\c1c2ccccc2cc2ccccc21 ZINC000059366655 570655793 /nfs/dbraw/zinc/65/57/93/570655793.db2.gz YNYVBGMRQZNKNR-ISLYRVAYSA-N 0 0 380.490 8.470 40 5 GKBBRN Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000000856121 570662197 /nfs/dbraw/zinc/66/21/97/570662197.db2.gz PIYNZQJYBNVPMT-UHFFFAOYSA-N 0 0 383.407 5.371 40 5 GKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)N1c2ccccc2Sc2ccccc21 ZINC000013717286 570670882 /nfs/dbraw/zinc/67/08/82/570670882.db2.gz GWGJBBXHGLBEEU-UHFFFAOYSA-N 0 0 397.843 6.083 40 5 GKBBRN Cc1ccc(/N=c2\oc3c(ccc4ccccc43)nc2Nc2ccc(C)cc2)cc1 ZINC000103711092 570725924 /nfs/dbraw/zinc/72/59/24/570725924.db2.gz GSOTZVOLIKXGDS-SGEDCAFJSA-N 0 0 391.474 6.574 40 5 GKBBRN Cc1c(-c2ccc(C)cc2)n(O)c(-c2c3ccccc3cc3ccccc32)[n+]1[O-] ZINC000005617863 570734866 /nfs/dbraw/zinc/73/48/66/570734866.db2.gz KQNRWQQVZUEQCO-UHFFFAOYSA-N 0 0 380.447 5.616 40 5 GKBBRN O=[N+]([O-])c1ccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716528 570774233 /nfs/dbraw/zinc/77/42/33/570774233.db2.gz FJNDYZVORTVWMR-DNQXCXABSA-N 0 0 382.419 5.518 40 5 GKBBRN O=[N+]([O-])c1ccc([C@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716530 570774390 /nfs/dbraw/zinc/77/43/90/570774390.db2.gz FJNDYZVORTVWMR-RPWUZVMVSA-N 0 0 382.419 5.518 40 5 GKBBRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)oc2c(C)c1 ZINC000005923737 570804173 /nfs/dbraw/zinc/80/41/73/570804173.db2.gz MWRNAMWXIHUOLT-UHFFFAOYSA-N 0 0 387.395 5.272 40 5 GKBBRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1 ZINC000017081782 570927029 /nfs/dbraw/zinc/92/70/29/570927029.db2.gz FAJUVCUOVAALHC-UHFFFAOYSA-N 0 0 399.815 5.370 40 5 GKBBRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000223023639 570951300 /nfs/dbraw/zinc/95/13/00/570951300.db2.gz OXPNQTNSBKEWHS-INIZCTEOSA-N 0 0 383.231 5.006 40 5 GKBBRN O=[N+]([O-])c1ccc(Oc2ccccc2-c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000213894436 570983917 /nfs/dbraw/zinc/98/39/17/570983917.db2.gz PQDGCYGDSUKSPQ-UHFFFAOYSA-N 0 0 393.380 5.572 40 5 GKBBRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(C)C ZINC000223264024 570991541 /nfs/dbraw/zinc/99/15/41/570991541.db2.gz UHFWSPXSDHCEEZ-ZDUSSCGKSA-N 0 0 390.867 5.180 40 5 GKBBRN CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000302919627 231044684 /nfs/dbraw/zinc/04/46/84/231044684.db2.gz GAQDWFGWMGGQGK-UHFFFAOYSA-N 0 0 394.378 5.043 40 5 GKBBRN Cc1ccc(COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 ZINC000408558784 231060011 /nfs/dbraw/zinc/06/00/11/231060011.db2.gz VOIXZHGICNCUBN-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN O=[N+]([O-])c1ccc(NCc2cccc(OCc3cccc4ccccc43)c2)cc1 ZINC000408606572 231077108 /nfs/dbraw/zinc/07/71/08/231077108.db2.gz ISNWDBVXJLVVBP-UHFFFAOYSA-N 0 0 384.435 5.939 40 5 GKBBRN O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccc(F)c(Cl)c2)cc1 ZINC000408611535 231079372 /nfs/dbraw/zinc/07/93/72/231079372.db2.gz SXEXSHIPALQDPH-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000408676455 231093781 /nfs/dbraw/zinc/09/37/81/231093781.db2.gz IYGDPJFIYXQABU-UHFFFAOYSA-N 0 0 382.803 5.222 40 5 GKBBRN Cc1c(Cl)cccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408621024 231083407 /nfs/dbraw/zinc/08/34/07/231083407.db2.gz NITPAPBVJCNZOF-UHFFFAOYSA-N 0 0 391.210 5.722 40 5 GKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000408628649 231088866 /nfs/dbraw/zinc/08/88/66/231088866.db2.gz VXKPVUNEJNMNLK-UHFFFAOYSA-N 0 0 389.436 5.432 40 5 GKBBRN O=C(Nc1ccc2ccccc2c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408907520 231128189 /nfs/dbraw/zinc/12/81/89/231128189.db2.gz PYHWOIABLOQHCX-LFVJCYFKSA-N 0 0 394.430 5.927 40 5 GKBBRN O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408909866 231129335 /nfs/dbraw/zinc/12/93/35/231129335.db2.gz IOGZCXIGKXGRDP-XSFVSMFZSA-N 0 0 378.815 5.428 40 5 GKBBRN Cc1ccc(N(C)C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1C ZINC000408974572 231139434 /nfs/dbraw/zinc/13/94/34/231139434.db2.gz BMRJEXVPODRGOV-UHFFFAOYSA-N 0 0 380.451 5.158 40 5 GKBBRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408977784 231139966 /nfs/dbraw/zinc/13/99/66/231139966.db2.gz YDTKLKQWYGJBGU-AWEZNQCLSA-N 0 0 395.487 5.589 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000408997115 231143638 /nfs/dbraw/zinc/14/36/38/231143638.db2.gz RGLJNDYRDJAPEM-BVSLBCMMSA-N 0 0 376.843 5.719 40 5 GKBBRN O=C(Nc1ccc(F)c(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409025184 231148750 /nfs/dbraw/zinc/14/87/50/231148750.db2.gz NJRIIBZFMPGVNP-LDADJPATSA-N 0 0 396.805 5.567 40 5 GKBBRN Cc1ccc(Cl)cc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408921983 231131281 /nfs/dbraw/zinc/13/12/81/231131281.db2.gz NHNPASRIFGQVBG-DEDYPNTBSA-N 0 0 392.842 5.736 40 5 GKBBRN Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409119115 231166745 /nfs/dbraw/zinc/16/67/45/231166745.db2.gz VWJBDNNJHSHLAI-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN COc1cc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C(C)C ZINC000223271055 222628226 /nfs/dbraw/zinc/62/82/26/222628226.db2.gz RKUZPPFAEXTYCD-CYBMUJFWSA-N 0 0 390.867 5.180 40 5 GKBBRN C[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC2c3ccccc3C1c1ccccc12 ZINC000000825787 209269766 /nfs/dbraw/zinc/26/97/66/209269766.db2.gz NLVZYFGMLODDHV-IWAAJCSBSA-N 0 0 384.435 5.221 40 5 GKBBRN O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000001753065 212255525 /nfs/dbraw/zinc/25/55/25/212255525.db2.gz DMDLAIQDCHINAR-UHFFFAOYSA-N 0 0 382.807 5.636 40 5 GKBBRN Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C)c2)cc1 ZINC000001311253 212060672 /nfs/dbraw/zinc/06/06/72/212060672.db2.gz WIUGMERSWLRNDL-UHFFFAOYSA-N 0 0 392.367 5.006 40 5 GKBBRN O=C(COc1ccc2ccccc2c1)Nc1ccnc2c3ccccc3ccc12 ZINC000040384265 212040597 /nfs/dbraw/zinc/04/05/97/212040597.db2.gz ODJKILJAOCFFKL-UHFFFAOYSA-N 0 0 378.431 5.559 40 5 GKBBRN O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000001516072 203913097 /nfs/dbraw/zinc/91/30/97/203913097.db2.gz IGILMAPTTZQDSH-UHFFFAOYSA-N 0 0 388.301 5.057 40 5 GKBBRN O=C(O[C@@]1(c2ccccc2)C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000004945985 204096149 /nfs/dbraw/zinc/09/61/49/204096149.db2.gz NKRYLCNOHSETBE-JTLUYSSBSA-N 0 0 377.440 5.103 40 5 GKBBRN COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1c(C)[nH]c2ccccc21 ZINC000006714278 204194178 /nfs/dbraw/zinc/19/41/78/204194178.db2.gz DLWAYTQMVLGBEA-HSZRJFAPSA-N 0 0 387.439 5.595 40 5 GKBBRN Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 ZINC000007686079 204246817 /nfs/dbraw/zinc/24/68/17/204246817.db2.gz JIQUPPVWLOLEPO-HXUWFJFHSA-N 0 0 380.831 5.076 40 5 GKBBRN CC(C)(C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000328969068 209154188 /nfs/dbraw/zinc/15/41/88/209154188.db2.gz DCJUKEKEGFZEAZ-UHFFFAOYSA-N 0 0 397.866 5.081 40 5 GKBBRN O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl ZINC000032212161 204912032 /nfs/dbraw/zinc/91/20/32/204912032.db2.gz AIQYILAQFWSRNO-UHFFFAOYSA-N 0 0 380.014 5.461 40 5 GKBBRN Cc1ccccc1-c1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000072242785 205319405 /nfs/dbraw/zinc/31/94/05/205319405.db2.gz INJKLDFJHZXSBY-UHFFFAOYSA-N 0 0 386.411 5.232 40 5 GKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OCC(C)C ZINC000225507852 206053396 /nfs/dbraw/zinc/05/33/96/206053396.db2.gz ZUWUYWKJGMDMJY-UHFFFAOYSA-N 0 0 396.487 5.389 40 5 GKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OC(C)C ZINC000225537986 206055604 /nfs/dbraw/zinc/05/56/04/206055604.db2.gz FUYDGZGCXLWRSE-UHFFFAOYSA-N 0 0 396.487 5.531 40 5 GKBBRN Cc1cc(NC(=O)c2ccccc2Br)c2ccc3ccccc3c2n1 ZINC000040384508 206192975 /nfs/dbraw/zinc/19/29/75/206192975.db2.gz FOWZDTKHWHUBNM-UHFFFAOYSA-N 0 0 391.268 5.711 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 ZINC000008040521 206224006 /nfs/dbraw/zinc/22/40/06/206224006.db2.gz OBDVCHBXHYJJIH-UHFFFAOYSA-N 0 0 398.249 5.967 40 5 GKBBRN Brc1cc2ccc(I)cc2c2ccccc12 ZINC000001701619 206389919 /nfs/dbraw/zinc/38/99/19/206389919.db2.gz RPKJRZLFDWPODU-UHFFFAOYSA-N 0 0 383.026 5.360 40 5 GKBBRN Cc1c(-c2cccc(C)c2)nn(Cc2cccc([N+](=O)[O-])c2)c1-c1cccc(C)c1 ZINC000017081284 211374428 /nfs/dbraw/zinc/37/44/28/211374428.db2.gz XGTREXGCQNQNGM-UHFFFAOYSA-N 0 0 397.478 6.099 40 5 GKBBRN O=[N+]([O-])c1ccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716523 207385240 /nfs/dbraw/zinc/38/52/40/207385240.db2.gz FJNDYZVORTVWMR-BJKOFHAPSA-N 0 0 382.419 5.518 40 5 GKBBRN Cc1ccc(C(=O)c2ccc(Oc3cccc4cccnc43)c([N+](=O)[O-])c2)cc1 ZINC000000864919 208483164 /nfs/dbraw/zinc/48/31/64/208483164.db2.gz KNINHNINJRBJGR-UHFFFAOYSA-N 0 0 384.391 5.475 40 5 GKBBRN NC(=O)c1c2[nH]c3ccccc3c(=O)c2cc(-c2ccccc2)c1-c1ccccc1 ZINC000005546055 220880972 /nfs/dbraw/zinc/88/09/72/220880972.db2.gz FXFYQDVEEFEZDV-UHFFFAOYSA-N 0 0 390.442 5.114 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1c(Cl)cccc1Cl ZINC000008040522 221025230 /nfs/dbraw/zinc/02/52/30/221025230.db2.gz IAAWDBQCQBOUSE-UHFFFAOYSA-N 0 0 398.249 5.967 40 5 GKBBRN Cc1c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000008266632 221033778 /nfs/dbraw/zinc/03/37/78/221033778.db2.gz QOKOBIQDYHSLRY-UHFFFAOYSA-N 0 0 385.272 5.082 40 5 GKBBRN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 ZINC000408622708 533637853 /nfs/dbraw/zinc/63/78/53/533637853.db2.gz QZWUTYLCIBFCCN-UHFFFAOYSA-N 0 0 376.840 5.006 40 5 GKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229356 136167612 /nfs/dbraw/zinc/16/76/12/136167612.db2.gz NQDZYERXQKCTPT-LBPRGKRZSA-N 0 0 391.830 5.018 40 5 GKBBRN Cc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229103 136167712 /nfs/dbraw/zinc/16/77/12/136167712.db2.gz KYOXSMZAFWRRBV-CQSZACIVSA-N 0 0 387.867 5.188 40 5 GKBBRN CC(C)N(CSc1ccc([N+](=O)[O-])cc1)CSc1ccc([N+](=O)[O-])cc1 ZINC000031670210 221711920 /nfs/dbraw/zinc/71/19/20/221711920.db2.gz FLZJLCRNBZWOOP-UHFFFAOYSA-N 0 0 393.490 5.013 40 5 GKBBRN Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000048545449 221992932 /nfs/dbraw/zinc/99/29/32/221992932.db2.gz ABSSTPFVBWELLK-PKNBQFBNSA-N 0 0 382.803 5.469 40 5 GKBBRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408923217 533751780 /nfs/dbraw/zinc/75/17/80/533751780.db2.gz GJIDCPATGXXYLZ-UHFFFAOYSA-N 0 0 378.453 5.448 40 5 GKBBRN COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409135025 533910098 /nfs/dbraw/zinc/91/00/98/533910098.db2.gz QTLNOCSKAYFXSV-UHFFFAOYSA-N 0 0 392.455 5.411 40 5 GKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl ZINC000408557455 533916512 /nfs/dbraw/zinc/91/65/12/533916512.db2.gz NOZFJBKHRVKYFD-UHFFFAOYSA-N 0 0 398.846 5.448 40 5 GKBBRN COc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409113310 534186278 /nfs/dbraw/zinc/18/62/78/534186278.db2.gz AHMOVZQCAGOGAF-UHFFFAOYSA-N 0 0 398.846 5.448 40 5 GKBBRN COc1ccc(OC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408977776 534215462 /nfs/dbraw/zinc/21/54/62/534215462.db2.gz YAOODHCARWJNKA-UHFFFAOYSA-N 0 0 386.432 5.226 40 5 GKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 ZINC000409119012 534331062 /nfs/dbraw/zinc/33/10/62/534331062.db2.gz QVPGOUMEJXUEPW-ODLFYWEKSA-N 0 0 378.409 5.249 40 5 GKBBRN C[C@]1(c2ccccc2)CCN2CC[C@@](C)(c3ccccc3)c3c([N+](=O)[O-])ccc1c32 ZINC000059475077 518185502 /nfs/dbraw/zinc/18/55/02/518185502.db2.gz UTXMBGTUNZEMLI-FTJBHMTQSA-N 0 0 398.506 5.821 40 5 GKBBRN O=C(Nc1cccc2ccccc21)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408975208 534373393 /nfs/dbraw/zinc/37/33/93/534373393.db2.gz JEGKGFQDBJGLAQ-UHFFFAOYSA-N 0 0 388.430 5.670 40 5 GKBBRN Cc1ccc2c(Cl)c(C3=N/C(=C\c4ccccc4[N+](=O)[O-])C(=O)O3)sc2c1 ZINC000408969331 534393397 /nfs/dbraw/zinc/39/33/97/534393397.db2.gz LZAXAZSHKAIANU-LCYFTJDESA-N 0 0 398.827 5.116 40 5 GKBBRN S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)NC1CCCCC1 ZINC000408977720 534458335 /nfs/dbraw/zinc/45/83/35/534458335.db2.gz XTNIWRFNMPFPKI-UHFFFAOYSA-N 0 0 392.553 5.617 40 5 GKBBRN S=C(Nc1ccc2cc3ccccc3nc2c1)Nc1cccc2ccccc21 ZINC000409189119 534458502 /nfs/dbraw/zinc/45/85/02/534458502.db2.gz IUJLLEWTAZTBAM-UHFFFAOYSA-N 0 0 379.488 6.350 40 5 GKBBRN S=C(Nc1ccc2ccccc2c1)Nc1ccc2cc3ccccc3nc2c1 ZINC000409188167 534458990 /nfs/dbraw/zinc/45/89/90/534458990.db2.gz BNXAPYCAXSXMJG-UHFFFAOYSA-N 0 0 379.488 6.350 40 5 GKBBRN O=C(NC1CCCCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408570119 534796947 /nfs/dbraw/zinc/79/69/47/534796947.db2.gz ZHUXMRUWAIYLAP-OQKWZONESA-N 0 0 378.472 5.365 40 5 GKBBRN O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1c2ccccc2cc2ccccc21 ZINC000408837908 534803433 /nfs/dbraw/zinc/80/34/33/534803433.db2.gz APMZTNVOKNYJRO-CHLZUDKUSA-N 0 0 375.427 6.003 40 5 GKBBRN O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409095873 534803560 /nfs/dbraw/zinc/80/35/60/534803560.db2.gz DUFAREUOBVYBPP-ZDLGFXPLSA-N 0 0 398.827 5.594 40 5 GKBBRN Cc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409117212 534824250 /nfs/dbraw/zinc/82/42/50/534824250.db2.gz NSAXBLXUJLQVMQ-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1ccccc1NCc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409115149 534824467 /nfs/dbraw/zinc/82/44/67/534824467.db2.gz ISNSVYPDTDYESU-UHFFFAOYSA-N 0 0 379.372 5.216 40 5 GKBBRN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccc(Cl)cc1 ZINC000059498092 534852793 /nfs/dbraw/zinc/85/27/93/534852793.db2.gz JNYLZGFRAWCUTO-HXUWFJFHSA-N 0 0 393.830 5.015 40 5 GKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccccc1F ZINC000408567600 534878504 /nfs/dbraw/zinc/87/85/04/534878504.db2.gz GXNJISQCVJBNTG-HXUWFJFHSA-N 0 0 390.414 5.295 40 5 GKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc(F)c2)cc1 ZINC000408570705 534878528 /nfs/dbraw/zinc/87/85/28/534878528.db2.gz LXYGTMDKKFJDTC-QFIPXVFZSA-N 0 0 390.414 5.295 40 5 GKBBRN O=[N+]([O-])c1ccc(Sc2ccc(NC(=S)NC3CCCCC3)cc2)cc1 ZINC000408549574 534883003 /nfs/dbraw/zinc/88/30/03/534883003.db2.gz VBIUBTBIUKMIOK-UHFFFAOYSA-N 0 0 387.530 5.365 40 5 GKBBRN O=[N+]([O-])c1ccc(Sc2ccc(NC(=S)NCc3ccccc3)cc2)cc1 ZINC000408585045 534883127 /nfs/dbraw/zinc/88/31/27/534883127.db2.gz BBJHWRDJQFNYLE-UHFFFAOYSA-N 0 0 395.509 5.233 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)c1 ZINC000408556152 534886194 /nfs/dbraw/zinc/88/61/94/534886194.db2.gz HZLRKGSFGIMCMW-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2cccc(OCc3cccc4ccccc43)c2)c1 ZINC000408556114 534886343 /nfs/dbraw/zinc/88/63/43/534886343.db2.gz HTURYLPUVGFSGW-UHFFFAOYSA-N 0 0 384.435 5.939 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2cn(Cc3cccc(Cl)c3)c3ccccc23)c1 ZINC000408558820 534886707 /nfs/dbraw/zinc/88/67/07/534886707.db2.gz WFFHYNVBNDWMEV-UHFFFAOYSA-N 0 0 391.858 5.863 40 5 GKBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cc(-c2ccc(C)cc2)n1 ZINC000408584059 527217524 /nfs/dbraw/zinc/21/75/24/527217524.db2.gz ZUDLWABMUKUOIJ-UHFFFAOYSA-N 0 0 379.441 5.022 40 5 GKBBRN CC(C)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409137354 528192173 /nfs/dbraw/zinc/19/21/73/528192173.db2.gz WAMNWBZBKYNSKY-CJLVFECKSA-N 0 0 386.451 5.898 40 5 GKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1cccc(C)c1 ZINC000408542941 528195355 /nfs/dbraw/zinc/19/53/55/528195355.db2.gz LYOHUZPBWDPLSU-PKNBQFBNSA-N 0 0 394.427 5.348 40 5 GKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1 ZINC000021595947 528264140 /nfs/dbraw/zinc/26/41/40/528264140.db2.gz DVUFHWVTDGEVMG-UHFFFAOYSA-N 0 0 389.455 5.237 40 5 GKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000408557618 528286684 /nfs/dbraw/zinc/28/66/84/528286684.db2.gz PNTDZDDEXOFVIM-UHFFFAOYSA-N 0 0 378.428 5.185 40 5 GKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1 ZINC000408556402 528287461 /nfs/dbraw/zinc/28/74/61/528287461.db2.gz KHDIUFXAMWZJIW-UHFFFAOYSA-N 0 0 396.418 5.324 40 5 GKBBRN CCOc1ccc(NCc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409112104 528554109 /nfs/dbraw/zinc/55/41/09/528554109.db2.gz AZIAPLYYWBVNJW-UHFFFAOYSA-N 0 0 378.428 5.185 40 5 GKBBRN CCOc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 ZINC000409002295 528604048 /nfs/dbraw/zinc/60/40/48/528604048.db2.gz SVQYEQUNOONAHF-NHTMILBNSA-N 0 0 386.451 5.465 40 5 GKBBRN CCCCOc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000408619493 528669085 /nfs/dbraw/zinc/66/90/85/528669085.db2.gz CLBNBNBVSYLIHC-UHFFFAOYSA-N 0 0 397.456 5.150 40 5 GKBBRN COc1ccc2[nH]c3c(c2c1)c(C)c1c(ccn2c1cc1ccccc1c2=O)c3C ZINC000001575073 570264984 /nfs/dbraw/zinc/26/49/84/570264984.db2.gz XOCALFAHKXTSBR-UHFFFAOYSA-N 0 0 392.458 5.866 40 5 GKBBRN Cc1ccccc1OP(=O)(Nc1ccc([N+](=O)[O-])cn1)Oc1ccccc1C ZINC000004823465 570266676 /nfs/dbraw/zinc/26/66/76/570266676.db2.gz LDQOUYBMAMPLMM-UHFFFAOYSA-N 0 0 399.343 5.285 40 5 GKBBRN Cc1cc([N+](=O)[O-])cc(Br)c1N1CCC(Cc2ccccc2)CC1 ZINC000575415029 570305835 /nfs/dbraw/zinc/30/58/35/570305835.db2.gz KNMGXDSIZSUPET-UHFFFAOYSA-N 0 0 389.293 5.125 40 5 GKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 ZINC000014413139 570310652 /nfs/dbraw/zinc/31/06/52/570310652.db2.gz RGLPUNAUFFHCTA-NTCAYCPXSA-N 0 0 376.437 5.398 40 5 GKBBRN CCN(CC)c1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229345 570318762 /nfs/dbraw/zinc/31/87/62/570318762.db2.gz GDQAFDFTEQQBMU-UHFFFAOYSA-N 0 0 382.247 5.000 40 5 GKBBRN Cc1ccccc1N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000000793739 570331159 /nfs/dbraw/zinc/33/11/59/570331159.db2.gz WTJJMVHRPGLFDM-UHFFFAOYSA-N 0 0 382.419 6.035 40 5 GKBBRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000408621935 570351540 /nfs/dbraw/zinc/35/15/40/570351540.db2.gz MVYCQPSIWGFGNQ-UHFFFAOYSA-N 0 0 388.851 5.313 40 5 GKBBRN Cc1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3C)nc2c1 ZINC000000824621 570374274 /nfs/dbraw/zinc/37/42/74/570374274.db2.gz MIHONQFGNZSZCU-UHFFFAOYSA-N 0 0 387.395 5.272 40 5 GKBBRN CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 ZINC000408621957 570387570 /nfs/dbraw/zinc/38/75/70/570387570.db2.gz NPYWOLQUYNJIBP-UHFFFAOYSA-N 0 0 393.443 5.262 40 5 GKBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1Cl ZINC000408621382 570387617 /nfs/dbraw/zinc/38/76/17/570387617.db2.gz NYBKODUTHUYPIE-UHFFFAOYSA-N 0 0 391.210 5.722 40 5 GKBBRN CCCCc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 ZINC000006342778 570391592 /nfs/dbraw/zinc/39/15/92/570391592.db2.gz MUVPLLCAEMOTLA-UHFFFAOYSA-N 0 0 389.864 5.453 40 5 GKBBRN CCN(c1ccccc1)c1nc(C)c([N+](=O)[O-])c(N(CC)c2ccccc2)n1 ZINC000005006146 570393310 /nfs/dbraw/zinc/39/33/10/570393310.db2.gz AAADNRBYOHEIQS-UHFFFAOYSA-N 0 0 377.448 5.009 40 5 GKBBRN Cc1ccc(Nc2nc(C)nc(Nc3ccc(C)cc3C)c2[N+](=O)[O-])c(C)c1 ZINC000005003745 570393396 /nfs/dbraw/zinc/39/33/96/570393396.db2.gz CFQGDVHNMCXUEY-UHFFFAOYSA-N 0 0 377.448 5.414 40 5 GKBBRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2c3ccccc3cc3ccccc32)S1 ZINC000222569009 570414891 /nfs/dbraw/zinc/41/48/91/570414891.db2.gz SNDMOXQBTGIDPK-ZCWWJEROSA-N 0 0 395.531 5.977 40 5 GKBBRN Cc1noc(/C=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000006300582 570476424 /nfs/dbraw/zinc/47/64/24/570476424.db2.gz MAFNQKJCGLUQSY-WEVVVXLNSA-N 0 0 397.412 5.429 40 5 GKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000000848991 570479285 /nfs/dbraw/zinc/47/92/85/570479285.db2.gz PUPXAGKLVQMPNZ-UHFFFAOYSA-N 0 0 377.183 5.414 40 5 GKBBRN COc1cc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000000828111 570485911 /nfs/dbraw/zinc/48/59/11/570485911.db2.gz VGVROVFLASDDPI-HSZRJFAPSA-N 0 0 389.407 5.026 40 5 GKBBRN Cc1nc(Nc2cccc3ccccc32)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000005360800 570563190 /nfs/dbraw/zinc/56/31/90/570563190.db2.gz FJRPMQVTWFLDGI-UHFFFAOYSA-N 0 0 385.427 5.358 40 5 GKBBRN CCn1c2ccccc2c2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc21 ZINC000005390471 570574510 /nfs/dbraw/zinc/57/45/10/570574510.db2.gz BRZZHGSWUIVSIU-UHFFFAOYSA-N 0 0 388.427 5.675 40 5 GKBBRN Cc1ccc(C2=N[C@H]3C=CC=C[C@@H]3S[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000001463329 570581068 /nfs/dbraw/zinc/58/10/68/570581068.db2.gz HXIHDRLMICWHIA-BVSLBCMMSA-N 0 0 376.481 5.434 40 5 GKBBRN Cc1cc2sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl ZINC000006826369 570622048 /nfs/dbraw/zinc/62/20/48/570622048.db2.gz TYXYTXRWVQMCQE-UHFFFAOYSA-N 0 0 382.228 5.072 40 5 GKBBRN COc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 ZINC000004906128 570647538 /nfs/dbraw/zinc/64/75/38/570647538.db2.gz OIYABBAVGIYDCD-UHFFFAOYSA-N 0 0 399.406 5.071 40 5 GKBBRN O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000006862020 570652893 /nfs/dbraw/zinc/65/28/93/570652893.db2.gz IHBJKRITZIUDDF-UHFFFAOYSA-N 0 0 377.183 5.414 40 5 GKBBRN O=C(Nc1ccccc1Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000006884624 570674341 /nfs/dbraw/zinc/67/43/41/570674341.db2.gz WVPCDSHHXTUMFP-UHFFFAOYSA-N 0 0 377.183 5.414 40 5 GKBBRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 ZINC000007079974 570781379 /nfs/dbraw/zinc/78/13/79/570781379.db2.gz RZYPLFLKFUPUER-LBPRGKRZSA-N 0 0 376.840 5.088 40 5 GKBBRN CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 ZINC000007072908 570781456 /nfs/dbraw/zinc/78/14/56/570781456.db2.gz RZYPLFLKFUPUER-GFCCVEGCSA-N 0 0 376.840 5.088 40 5 GKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ccccc1 ZINC000007093620 570788180 /nfs/dbraw/zinc/78/81/80/570788180.db2.gz YBPYQYHTXNDWLR-UHFFFAOYSA-N 0 0 378.453 5.134 40 5 GKBBRN Cc1cc(C)c(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000035146722 230921754 /nfs/dbraw/zinc/92/17/54/230921754.db2.gz GVDNGFXHIFKNBU-UHFFFAOYSA-N 0 0 392.480 5.924 40 5 GKBBRN Cc1ccc(COc2ccc(Cl)cc2CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408612400 231079825 /nfs/dbraw/zinc/07/98/25/231079825.db2.gz VSADXMIUCQTLCZ-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000408619227 231082030 /nfs/dbraw/zinc/08/20/30/231082030.db2.gz AFKMCBWADGITGZ-UHFFFAOYSA-N 0 0 391.210 5.722 40 5 GKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000408620536 231083084 /nfs/dbraw/zinc/08/30/84/231083084.db2.gz HCVCGKWZWLYSHY-UHFFFAOYSA-N 0 0 380.831 5.327 40 5 GKBBRN CN(C(=S)Nc1cc2ncccc2c2cccnc12)c1ccc2ccccc2c1 ZINC000408974896 231139204 /nfs/dbraw/zinc/13/92/04/231139204.db2.gz IEAKGSNVKOQIHT-UHFFFAOYSA-N 0 0 394.503 5.769 40 5 GKBBRN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc2ccncc2c2ncccc12 ZINC000408975577 231140538 /nfs/dbraw/zinc/14/05/38/231140538.db2.gz NJBPAFZGLWYXSV-UHFFFAOYSA-N 0 0 382.345 5.446 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000408997771 231143514 /nfs/dbraw/zinc/14/35/14/231143514.db2.gz SUHCWRDXYDFBEI-RNXOBYDBSA-N 0 0 392.458 6.219 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000408994913 231143814 /nfs/dbraw/zinc/14/38/14/231143814.db2.gz HUQOFUAMUHUCSY-BVSLBCMMSA-N 0 0 376.843 5.719 40 5 GKBBRN O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)NC1CCCCC1 ZINC000408995076 231143913 /nfs/dbraw/zinc/14/39/13/231143913.db2.gz IMZKOJKXUPYXGO-UHFFFAOYSA-N 0 0 376.485 5.452 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000408994914 231144041 /nfs/dbraw/zinc/14/40/41/231144041.db2.gz HUQOFUAMUHUCSY-HJNYFJLDSA-N 0 0 376.843 5.719 40 5 GKBBRN Cc1ccc(NC(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1C ZINC000409000361 231144411 /nfs/dbraw/zinc/14/44/11/231144411.db2.gz YRGHYOJKUSSURW-UHFFFAOYSA-N 0 0 381.439 5.525 40 5 GKBBRN O=c1nc(-c2c3ccccc3cc3ccccc32)[nH]c2sc3c(c21)CCCCC3 ZINC000409004581 231145334 /nfs/dbraw/zinc/14/53/34/231145334.db2.gz XPXOFRQYUWAVJI-UHFFFAOYSA-N 0 0 396.515 6.639 40 5 GKBBRN Cc1ccc(Cl)cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408926987 231132699 /nfs/dbraw/zinc/13/26/99/231132699.db2.gz XCZVHYIXOGKPDD-DEDYPNTBSA-N 0 0 392.842 5.736 40 5 GKBBRN Cc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(C)c1 ZINC000409113468 231164083 /nfs/dbraw/zinc/16/40/83/231164083.db2.gz IIYGHYZAVSAVDF-UHFFFAOYSA-N 0 0 393.399 5.524 40 5 GKBBRN Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409121721 231165969 /nfs/dbraw/zinc/16/59/69/231165969.db2.gz VTDLAZYFSROOOC-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C ZINC000409111777 231163197 /nfs/dbraw/zinc/16/31/97/231163197.db2.gz CCUDJSQCKCSWJR-UHFFFAOYSA-N 0 0 396.874 6.056 40 5 GKBBRN O=C(/C=C/c1ccccc1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409177701 231175529 /nfs/dbraw/zinc/17/55/29/231175529.db2.gz GKJGMGWBWSSBNJ-NTEUORMPSA-N 0 0 375.380 5.144 40 5 GKBBRN Cc1cccc(OCc2ccc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2)c1 ZINC000409182134 231175777 /nfs/dbraw/zinc/17/57/77/231175777.db2.gz JKKGTDIGICWIDT-UHFFFAOYSA-N 0 0 376.412 5.043 40 5 GKBBRN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2-c2nc3ccccc3s2)cc1 ZINC000409191886 231177390 /nfs/dbraw/zinc/17/73/90/231177390.db2.gz PORPFBWLEGAZDG-UHFFFAOYSA-N 0 0 378.478 6.331 40 5 GKBBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(F)cc2)cc1 ZINC000409205054 231180370 /nfs/dbraw/zinc/18/03/70/231180370.db2.gz NTKCUCGXBQMASH-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3c4ccccc4cc4ccccc43)C2=O)c1 ZINC000409239914 231185374 /nfs/dbraw/zinc/18/53/74/231185374.db2.gz OICHXBBUSVXBID-BUVRLJJBSA-N 0 0 392.458 5.394 40 5 GKBBRN CCc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409112943 529600966 /nfs/dbraw/zinc/60/09/66/529600966.db2.gz CVERVPFFFQGCEO-UHFFFAOYSA-N 0 0 396.874 6.002 40 5 GKBBRN CCc1ccccc1NCc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409112907 529601392 /nfs/dbraw/zinc/60/13/92/529601392.db2.gz CQHCGRKWIXTPMY-UHFFFAOYSA-N 0 0 396.874 6.002 40 5 GKBBRN CCc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409111512 529601459 /nfs/dbraw/zinc/60/14/59/529601459.db2.gz JCQGKYRSWHAOLC-UHFFFAOYSA-N 0 0 392.455 5.357 40 5 GKBBRN CCc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409117834 529688381 /nfs/dbraw/zinc/68/83/81/529688381.db2.gz OOOMDNYANXOLEL-UHFFFAOYSA-N 0 0 392.455 5.357 40 5 GKBBRN CCc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000409117281 529688337 /nfs/dbraw/zinc/68/83/37/529688337.db2.gz LFIQTWFOMROBKA-UHFFFAOYSA-N 0 0 393.399 5.470 40 5 GKBBRN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000016493022 210191042 /nfs/dbraw/zinc/19/10/42/210191042.db2.gz WITCWHJRRHBIQD-UHFFFAOYSA-N 0 0 389.436 5.113 40 5 GKBBRN CCC1(CC)C[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000225329687 222674297 /nfs/dbraw/zinc/67/42/97/222674297.db2.gz GNZAWBBPXOVMOS-MRXNPFEDSA-N 0 0 388.851 5.061 40 5 GKBBRN c1ccc2oc3nc4cc5nc6oc7ccccc7oc6nc5cc4nc3oc2c1 ZINC000003843486 209454763 /nfs/dbraw/zinc/45/47/63/209454763.db2.gz OCURXTQKMLEUHZ-UHFFFAOYSA-N 0 0 394.346 5.682 40 5 GKBBRN O=[N+]([O-])c1ccc(Oc2ccc(CCCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000001867122 212259117 /nfs/dbraw/zinc/25/91/17/212259117.db2.gz FIQDHPCNYNUWAP-UHFFFAOYSA-N 0 0 378.384 5.471 40 5 GKBBRN O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc2c1-c1ccccc1C2 ZINC000001717013 212253892 /nfs/dbraw/zinc/25/38/92/212253892.db2.gz WMXXOJAQWJEPDW-UHFFFAOYSA-N 0 0 387.438 5.075 40 5 GKBBRN CC(C)c1ccc2oc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000226294781 212114561 /nfs/dbraw/zinc/11/45/61/212114561.db2.gz ZVASCPSXWNCVRZ-UHFFFAOYSA-N 0 0 388.423 6.105 40 5 GKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccnc2c3ccccc3ccc12 ZINC000040384312 212041343 /nfs/dbraw/zinc/04/13/43/212041343.db2.gz YBNWTCYXQOVDAL-UHFFFAOYSA-N 0 0 397.261 5.712 40 5 GKBBRN Cc1cc(NC(=O)COc2ccc3ccccc3c2)c2ccc3ccccc3c2n1 ZINC000040384412 212041116 /nfs/dbraw/zinc/04/11/16/212041116.db2.gz LRYPYUYAEZQVGR-UHFFFAOYSA-N 0 0 392.458 5.867 40 5 GKBBRN O=c1c2ccccc2c2c3c(cccc13)c1cccc3c(=O)c4ccccc4c2c13 ZINC000001555810 203913071 /nfs/dbraw/zinc/91/30/71/203913071.db2.gz CJADAVIATOALFB-UHFFFAOYSA-N 0 0 382.418 6.202 40 5 GKBBRN COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1)c1c(C)[nH]c2ccccc21 ZINC000006714280 204194366 /nfs/dbraw/zinc/19/43/66/204194366.db2.gz DLWAYTQMVLGBEA-QHCPKHFHSA-N 0 0 387.439 5.595 40 5 GKBBRN O=[N+]([O-])c1ccc(Nc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000328994465 209155264 /nfs/dbraw/zinc/15/52/64/209155264.db2.gz JECXLVRYTGAOAZ-UHFFFAOYSA-N 0 0 394.740 5.468 40 5 GKBBRN Cc1ccccc1[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000030866060 204899169 /nfs/dbraw/zinc/89/91/69/204899169.db2.gz ZQCTZXBQKLLEMD-HXUWFJFHSA-N 0 0 380.831 5.076 40 5 GKBBRN Cc1ccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229125 205318754 /nfs/dbraw/zinc/31/87/54/205318754.db2.gz LNGKUFCGMXUKSP-UHFFFAOYSA-N 0 0 387.867 5.554 40 5 GKBBRN Cc1ccc(CSc2ncnc3c(-c4ccc([N+](=O)[O-])cc4)nsc32)cc1 ZINC000004886066 205755602 /nfs/dbraw/zinc/75/56/02/205755602.db2.gz LXOBAKIJPLWNMN-UHFFFAOYSA-N 0 0 394.481 5.262 40 5 GKBBRN O=C(CCCSc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000222689156 205985542 /nfs/dbraw/zinc/98/55/42/205985542.db2.gz JCEYJTYVPKCQFQ-UHFFFAOYSA-N 0 0 385.272 5.413 40 5 GKBBRN CCC1(CC)C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2O1 ZINC000225117146 206037424 /nfs/dbraw/zinc/03/74/24/206037424.db2.gz DAVNMMXGLKGJIU-QGZVFWFLSA-N 0 0 388.851 5.061 40 5 GKBBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 ZINC000225536345 206054584 /nfs/dbraw/zinc/05/45/84/206054584.db2.gz TXTALWLOOINSDN-KRWDZBQOSA-N 0 0 396.487 5.613 40 5 GKBBRN CCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000225508077 206053777 /nfs/dbraw/zinc/05/37/77/206053777.db2.gz KYPUMRCFUQSNRJ-UHFFFAOYSA-N 0 0 396.487 5.451 40 5 GKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(COc2cccc3ccccc32)o1 ZINC000032647584 206090949 /nfs/dbraw/zinc/09/09/49/206090949.db2.gz PKJSOJSQQLAWIX-UHFFFAOYSA-N 0 0 388.379 5.172 40 5 GKBBRN Cc1ccc(C)c(S(=O)(=O)Nc2cc(C)nc3c4ccccc4ccc23)c1 ZINC000040384458 206193077 /nfs/dbraw/zinc/19/30/77/206193077.db2.gz BPRPINXRJAEMAS-UHFFFAOYSA-N 0 0 376.481 5.114 40 5 GKBBRN O=c1c2ccccc2c2ncc(-c3c(F)cccc3Cl)c3c4ccccc4n1c32 ZINC000006624647 206294481 /nfs/dbraw/zinc/29/44/81/206294481.db2.gz KVXNXNVAZOVMBI-UHFFFAOYSA-N 0 0 398.824 6.051 40 5 biogenic GKBBRN Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc3c(c2)OCO3)nc1-c1ccccc1 ZINC000000860667 206328741 /nfs/dbraw/zinc/32/87/41/206328741.db2.gz SMKBYQAHFJPUAE-UHFFFAOYSA-N 0 0 399.406 5.356 40 5 GKBBRN Cc1cc(OC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(Br)cc1Cl ZINC000001560700 206385685 /nfs/dbraw/zinc/38/56/85/206385685.db2.gz UZVRJBQNSIKFLC-UHFFFAOYSA-N 0 0 399.628 5.238 40 5 GKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000072229227 211083730 /nfs/dbraw/zinc/08/37/30/211083730.db2.gz QWMIFGFGMOZNFB-UHFFFAOYSA-N 0 0 391.830 5.384 40 5 GKBBRN CCN(CC)c1cc(NC(=O)c2ccc(C(C)C)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229133 211083816 /nfs/dbraw/zinc/08/38/16/211083816.db2.gz XDZVANKQAHWGLX-UHFFFAOYSA-N 0 0 389.883 5.470 40 5 GKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000001324351 208493073 /nfs/dbraw/zinc/49/30/73/208493073.db2.gz ZLQWXRDVFXIQCV-UHFFFAOYSA-N 0 0 395.415 5.051 40 5 GKBBRN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]3(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004854052 208546408 /nfs/dbraw/zinc/54/64/08/208546408.db2.gz VFNOCZDRPAHBAQ-VWNXMTODSA-N 0 0 399.450 5.320 40 5 GKBBRN COc1cc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C(C)C ZINC000223270979 208897191 /nfs/dbraw/zinc/89/71/91/208897191.db2.gz DTAHHKHSFVPXFW-ZDUSSCGKSA-N 0 0 390.867 5.180 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000226333043 208987618 /nfs/dbraw/zinc/98/76/18/208987618.db2.gz NNPGXNNMHLKNCA-IKEVUCQUSA-N 0 0 389.282 6.198 40 5 GKBBRN CC(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cc1 ZINC000004322754 220705429 /nfs/dbraw/zinc/70/54/29/220705429.db2.gz SEQBUVKAGGDRLD-XMMPIXPASA-N 0 0 385.467 6.074 40 5 GKBBRN C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC2c3ccccc3C1c1ccccc12 ZINC000004831888 220770696 /nfs/dbraw/zinc/77/06/96/220770696.db2.gz IIKAEZYRORGRLZ-IWAAJCSBSA-N 0 0 384.435 5.221 40 5 GKBBRN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccc3ccccc3c2n1 ZINC000040384465 209093420 /nfs/dbraw/zinc/09/34/20/209093420.db2.gz SIIQDIBCTJSMCS-UHFFFAOYSA-N 0 0 382.872 5.151 40 5 GKBBRN CCCCSCCSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000006204050 220923714 /nfs/dbraw/zinc/92/37/14/220923714.db2.gz DHBMOACLIVPCII-UHFFFAOYSA-N 0 0 384.401 5.147 40 5 GKBBRN O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c32)c1 ZINC000009235275 221074891 /nfs/dbraw/zinc/07/48/91/221074891.db2.gz PKDOHMIZCLOLKI-UHFFFAOYSA-N 0 0 376.415 6.630 40 5 GKBBRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000408620623 533422381 /nfs/dbraw/zinc/42/23/81/533422381.db2.gz HWTYAZLNQTYBQI-UHFFFAOYSA-N 0 0 389.622 5.124 40 5 GKBBRN Cc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1Cl ZINC000072229098 136167625 /nfs/dbraw/zinc/16/76/25/136167625.db2.gz NEYRNJUNDRENCH-UHFFFAOYSA-N 0 0 387.867 5.045 40 5 GKBBRN Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000061432032 222060703 /nfs/dbraw/zinc/06/07/03/222060703.db2.gz XUXAGEUCBKVUDZ-UHFFFAOYSA-N 0 0 399.406 5.478 40 5 GKBBRN Cc1ccc(C)c(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409115789 533685528 /nfs/dbraw/zinc/68/55/28/533685528.db2.gz HIPNMEMIJBRKAK-UHFFFAOYSA-N 0 0 393.399 5.524 40 5 GKBBRN Cc1cc2sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c(C)c1 ZINC000408623926 534151090 /nfs/dbraw/zinc/15/10/90/534151090.db2.gz VHPWAAHRNUUWMX-GQCTYLIASA-N 0 0 387.848 5.127 40 5 GKBBRN O=C(Nc1cccc(Br)c1)Nc1cc2ccncc2c2ncccc12 ZINC000408976594 534323705 /nfs/dbraw/zinc/32/37/05/534323705.db2.gz RUJOTXNJGZQCJM-UHFFFAOYSA-N 0 0 393.244 5.190 40 5 GKBBRN Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc([N+](=O)[O-])cc4)C(=O)O3)sc2c1 ZINC000408840840 534393776 /nfs/dbraw/zinc/39/37/76/534393776.db2.gz CEZZLBRKBUSVTI-NTEUORMPSA-N 0 0 398.827 5.116 40 5 GKBBRN S=C(Nc1cccc2ccccc21)Nc1cc2ccncc2c2ncccc12 ZINC000408978126 534459125 /nfs/dbraw/zinc/45/91/25/534459125.db2.gz YEPRPJJAYVDVAX-UHFFFAOYSA-N 0 0 380.476 5.745 40 5 GKBBRN S=C(Nc1ccc2ccccc2c1)Nc1cc2cccnc2c2cccnc12 ZINC000408973485 534459216 /nfs/dbraw/zinc/45/92/16/534459216.db2.gz BCVSVMQBEIBEGG-UHFFFAOYSA-N 0 0 380.476 5.745 40 5 GKBBRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc([N+](=O)[O-])cc1 ZINC000017080060 534563917 /nfs/dbraw/zinc/56/39/17/534563917.db2.gz RXVJEDXXWLAVEY-UHFFFAOYSA-N 0 0 392.194 5.519 40 5 GKBBRN O=C(CSc1ccc(Cl)cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409411309 534670495 /nfs/dbraw/zinc/67/04/95/534670495.db2.gz FUEWQZKFFLBXLL-UHFFFAOYSA-N 0 0 391.663 5.286 40 5 GKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1CNc1ccccc1 ZINC000409114144 534879567 /nfs/dbraw/zinc/87/95/67/534879567.db2.gz JBPHVYQVVGKRPC-UHFFFAOYSA-N 0 0 388.345 6.018 40 5 GKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(CO)cc1Cl ZINC000409112589 534880021 /nfs/dbraw/zinc/88/00/21/534880021.db2.gz FDRFUOVLVVQBIE-UHFFFAOYSA-N 0 0 382.121 5.205 40 5 GKBBRN O=[N+]([O-])c1ccc(Sc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000408882221 534882836 /nfs/dbraw/zinc/88/28/36/534882836.db2.gz LVTVIHSSHMUAOS-UHFFFAOYSA-N 0 0 398.227 5.015 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2c(OCc3ccccc3)ccc3ccccc32)c1 ZINC000408557160 534886689 /nfs/dbraw/zinc/88/66/89/534886689.db2.gz NGENCNHVRHHGTJ-UHFFFAOYSA-N 0 0 384.435 5.939 40 5 GKBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cc(-c2ccc(Cl)cc2)n1 ZINC000408583152 527217385 /nfs/dbraw/zinc/21/73/85/527217385.db2.gz RXTWBTZDPWJVNU-UHFFFAOYSA-N 0 0 399.859 5.367 40 5 GKBBRN CC(=O)c1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408975781 527314480 /nfs/dbraw/zinc/31/44/80/527314480.db2.gz NGHREVCWMPYGBG-UHFFFAOYSA-N 0 0 397.459 5.453 40 5 GKBBRN CCCN(Cc1ccccc1)C(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408974479 528145002 /nfs/dbraw/zinc/14/50/02/528145002.db2.gz AHFYDVBVKMZKLX-UHFFFAOYSA-N 0 0 394.478 5.317 40 5 GKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 ZINC000408613206 528285696 /nfs/dbraw/zinc/28/56/96/528285696.db2.gz XZTNSMANUJBHGK-UHFFFAOYSA-N 0 0 392.455 5.493 40 5 GKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000408606622 528285987 /nfs/dbraw/zinc/28/59/87/528285987.db2.gz JFZAVAMGFYHNPT-UHFFFAOYSA-N 0 0 378.428 5.185 40 5 GKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1 ZINC000408603199 528286116 /nfs/dbraw/zinc/28/61/16/528286116.db2.gz BLHVGGIGLULCJJ-UHFFFAOYSA-N 0 0 396.418 5.324 40 5 GKBBRN CCOc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 ZINC000409002300 528603712 /nfs/dbraw/zinc/60/37/12/528603712.db2.gz SVQYEQUNOONAHF-XWGVYQGASA-N 0 0 386.451 5.465 40 5 GKBBRN CCOc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)cc1 ZINC000409002292 528603904 /nfs/dbraw/zinc/60/39/04/528603904.db2.gz SVQYEQUNOONAHF-JRFVFWCSSA-N 0 0 386.451 5.465 40 5 GKBBRN CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(C)c(C)c1 ZINC000408823485 528807627 /nfs/dbraw/zinc/80/76/27/528807627.db2.gz DOZCWIXLPJSHTQ-UHFFFAOYSA-N 0 0 395.484 5.540 40 5 GKBBRN Cc1c2c3ccccc3n(CCOC(=O)c3ccccc3)c2c(C)c2ccncc12 ZINC000001635676 560183240 /nfs/dbraw/zinc/18/32/40/560183240.db2.gz PPANGFXMJDUHNG-UHFFFAOYSA-N 0 0 394.474 5.817 40 5 in-vitro GKBBRN CC(C)=CCC/C(C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 ZINC000014821965 560226850 /nfs/dbraw/zinc/22/68/50/560226850.db2.gz WOPKDKPJTJHLPB-OQLLNIDSSA-N 0 0 380.440 5.429 40 5 biogenic,in-vitro GKBBRN COc1ccc(Cl)cc1N/C=C(\O)c1cc2c(ccc3ccccc32)oc1=O ZINC000101174629 570281540 /nfs/dbraw/zinc/28/15/40/570281540.db2.gz AIXYDITUOAHAGI-UNOMPAQXSA-N 0 0 393.826 5.577 40 5 GKBBRN O=C(Nc1c(F)cccc1F)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000014410775 570310634 /nfs/dbraw/zinc/31/06/34/570310634.db2.gz KRCAOAXFQBYGRK-GHRIWEEISA-N 0 0 380.350 5.052 40 5 GKBBRN O=C1S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 ZINC000210199939 570321048 /nfs/dbraw/zinc/32/10/48/570321048.db2.gz YAAKJXXFTVNYJK-BOPDVPAVSA-N 0 0 386.816 5.045 40 5 GKBBRN COc1ccc(C(=O)C[C@@H](c2ccccc2)C(c2ccccc2)[N+](=O)[O-])cc1 ZINC000001715099 570341458 /nfs/dbraw/zinc/34/14/58/570341458.db2.gz BQYGWJZQQPXFAJ-JTHBVZDNSA-N 0 0 375.424 5.070 40 5 GKBBRN O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000408626505 570348661 /nfs/dbraw/zinc/34/86/61/570348661.db2.gz HQRWSMUEHSUGCT-UHFFFAOYSA-N 0 0 392.802 5.044 40 5 GKBBRN O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408618283 570351295 /nfs/dbraw/zinc/35/12/95/570351295.db2.gz FQKNMGSPCFFMMK-UHFFFAOYSA-N 0 0 377.183 5.414 40 5 GKBBRN COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000006282490 570360305 /nfs/dbraw/zinc/36/03/05/570360305.db2.gz MGRAXOUSPSMIJX-UHFFFAOYSA-N 0 0 389.386 5.467 40 5 GKBBRN O=[N+]([O-])c1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 ZINC000006328975 570381007 /nfs/dbraw/zinc/38/10/07/570381007.db2.gz KPSYDOTWAWIAPE-UHFFFAOYSA-N 0 0 381.822 5.058 40 5 GKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccc(F)cc1 ZINC000408574026 570384321 /nfs/dbraw/zinc/38/43/21/570384321.db2.gz UKNJMSGXOLTOBQ-OAQYLSRUSA-N 0 0 390.414 5.295 40 5 GKBBRN COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2O)cc1 ZINC000004720972 570397552 /nfs/dbraw/zinc/39/75/52/570397552.db2.gz HRNSEOMPRWUKQL-UHFFFAOYSA-N 0 0 382.419 5.441 40 5 GKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000006449850 570423407 /nfs/dbraw/zinc/42/34/07/570423407.db2.gz KFDUUNMSZQSVPD-CSKARUKUSA-N 0 0 382.803 5.469 40 5 GKBBRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000842775 570430899 /nfs/dbraw/zinc/43/08/99/570430899.db2.gz GSJSCBFVHNABFS-UHFFFAOYSA-N 0 0 376.290 5.126 40 5 GKBBRN Cc1c2ccccc2c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc12 ZINC000039557473 570445262 /nfs/dbraw/zinc/44/52/62/570445262.db2.gz YJJLGSHPQPHDQT-UCQKPKSFSA-N 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378.478 6.331 40 5 GKBBRN O=C(Nc1ccc(F)c(F)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409265329 231188425 /nfs/dbraw/zinc/18/84/25/231188425.db2.gz HOWVINYRPFISNU-LDADJPATSA-N 0 0 380.350 5.052 40 5 GKBBRN FC(F)(F)c1cccc(NC(=S)Nc2cc3cccnc3c3ncccc23)c1 ZINC000409330483 231190849 /nfs/dbraw/zinc/19/08/49/231190849.db2.gz ARDOGYNSILLYKE-UHFFFAOYSA-N 0 0 398.413 5.611 40 5 GKBBRN CCC1(CC)C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000225329726 222674443 /nfs/dbraw/zinc/67/44/43/222674443.db2.gz GNZAWBBPXOVMOS-INIZCTEOSA-N 0 0 388.851 5.061 40 5 GKBBRN O=C(Nc1ccccc1Sc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991708 222704427 /nfs/dbraw/zinc/70/44/27/222704427.db2.gz QUULBKPEUWPMAU-UHFFFAOYSA-N 0 0 390.464 5.416 40 5 GKBBRN CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000006515640 209652936 /nfs/dbraw/zinc/65/29/36/209652936.db2.gz LVAPNXAXEYIPAW-YCRREMRBSA-N 0 0 399.878 5.136 40 5 GKBBRN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000002339769 209357158 /nfs/dbraw/zinc/35/71/58/209357158.db2.gz MHCIYPCPVBEOEN-UHFFFAOYSA-N 0 0 399.815 5.370 40 5 GKBBRN COc1ccc(C(=O)C[C@H](c2ccccc2)C(c2ccccc2)[N+](=O)[O-])cc1 ZINC000001715102 209337026 /nfs/dbraw/zinc/33/70/26/209337026.db2.gz BQYGWJZQQPXFAJ-GGAORHGYSA-N 0 0 375.424 5.070 40 5 GKBBRN O=C(Nc1ccc(Cl)cc1)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000001737355 209336662 /nfs/dbraw/zinc/33/66/62/209336662.db2.gz XEYNDINQFLTEIQ-UHFFFAOYSA-N 0 0 396.013 5.819 40 5 GKBBRN C[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC2c3ccccc3C1c1ccccc12 ZINC000000825786 209268987 /nfs/dbraw/zinc/26/89/87/209268987.db2.gz NLVZYFGMLODDHV-UBVWURDFSA-N 0 0 384.435 5.221 40 5 GKBBRN O=C(O[C@]1(c2ccccc2)C[C@H]2C[C@@H]1c1ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000001674647 212254700 /nfs/dbraw/zinc/25/47/00/212254700.db2.gz PRIWSLOSTPBIKX-BSDZUQITSA-N 0 0 385.419 5.322 40 5 GKBBRN c1ccc2c(c1)ccc1cc3cc4cc5c(ccc6ccccc65)cc4cc3cc12 ZINC000001580750 212250821 /nfs/dbraw/zinc/25/08/21/212250821.db2.gz 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ZINC000006885018 209128702 /nfs/dbraw/zinc/12/87/02/209128702.db2.gz JZUIKHKHSHPCGU-NRFANRHFSA-N 0 0 377.831 5.604 40 5 GKBBRN c1cc2ccc3cc4ccc5ccc6ccc7cc8ccc1c1c2c3c2c4c5c6c7c2c81 ZINC000064622643 205192194 /nfs/dbraw/zinc/19/21/94/205192194.db2.gz LSQODMMMSXHVCN-UHFFFAOYSA-N 0 0 398.464 9.254 40 5 in-vitro GKBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl ZINC000225508651 206052514 /nfs/dbraw/zinc/05/25/14/206052514.db2.gz DCJCDERVJTVROR-UHFFFAOYSA-N 0 0 388.851 5.097 40 5 GKBBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000225507765 206053989 /nfs/dbraw/zinc/05/39/89/206053989.db2.gz GYSYEIIXXJRCIV-QGZVFWFLSA-N 0 0 396.487 5.531 40 5 GKBBRN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000001861249 206212439 /nfs/dbraw/zinc/21/24/39/206212439.db2.gz UQYGJULPOHMPLB-UHFFFAOYSA-N 0 0 398.418 5.475 40 5 GKBBRN CCOc1cc(C=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008254197 206743266 /nfs/dbraw/zinc/74/32/66/206743266.db2.gz 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ZINC000015410515 221336401 /nfs/dbraw/zinc/33/64/01/221336401.db2.gz UHJQTJZRIDDLHL-UHFFFAOYSA-N 0 0 385.272 5.082 40 5 GKBBRN Cc1c(-c2ccc(C)cc2)nn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccc(C)cc1 ZINC000017078291 221377668 /nfs/dbraw/zinc/37/76/68/221377668.db2.gz LXXTUXQAJQHOBJ-UHFFFAOYSA-N 0 0 383.451 6.040 40 5 GKBBRN Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1[N+](=O)[O-] ZINC000409025677 533608153 /nfs/dbraw/zinc/60/81/53/533608153.db2.gz YEYQWTNGWSMYOB-UHFFFAOYSA-N 0 0 390.483 5.623 40 5 GKBBRN Cc1ccccc1C(=O)Nc1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1Cl ZINC000072229108 136167660 /nfs/dbraw/zinc/16/76/60/136167660.db2.gz ZFMSOSXOIMAALO-AWEZNQCLSA-N 0 0 387.867 5.188 40 5 GKBBRN O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000072229274 136167671 /nfs/dbraw/zinc/16/76/71/136167671.db2.gz MDNKFFVTMSTLDW-UHFFFAOYSA-N 0 0 394.258 5.144 40 5 GKBBRN CCc1ccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229143 136167709 /nfs/dbraw/zinc/16/77/09/136167709.db2.gz 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ZINC000408618917 534373108 /nfs/dbraw/zinc/37/31/08/534373108.db2.gz IHZSRGDWTNHMPH-UHFFFAOYSA-N 0 0 392.798 5.914 40 5 GKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(Cl)ccc1O ZINC000409178981 534564047 /nfs/dbraw/zinc/56/40/47/534564047.db2.gz LYPSRYIYPUWISN-UHFFFAOYSA-N 0 0 399.786 5.103 40 5 GKBBRN O=C1Nc2ccccc2S/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1 ZINC000409094149 534803815 /nfs/dbraw/zinc/80/38/15/534803815.db2.gz CJAZXOKBJHXKFM-XSFVSMFZSA-N 0 0 395.484 5.061 40 5 GKBBRN O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000409101085 534804045 /nfs/dbraw/zinc/80/40/45/534804045.db2.gz PMGCCWQGOUIIDC-ZDLGFXPLSA-N 0 0 398.827 5.594 40 5 GKBBRN O=C1OC(c2ccccc2Cl)=N/C1=C\c1c2ccccc2cc2ccccc21 ZINC000013925070 534805072 /nfs/dbraw/zinc/80/50/72/534805072.db2.gz LFURSLNDTNGUHS-HMAPJEAMSA-N 0 0 383.834 5.991 40 5 GKBBRN Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119555 534824449 /nfs/dbraw/zinc/82/44/49/534824449.db2.gz QBYJLLUXZNJRDQ-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2F)cc1 ZINC000408570618 534878073 /nfs/dbraw/zinc/87/80/73/534878073.db2.gz LPZRXWGPDFKVOU-NRFANRHFSA-N 0 0 390.414 5.295 40 5 GKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2F)cc1 ZINC000408570620 534878075 /nfs/dbraw/zinc/87/80/75/534878075.db2.gz LPZRXWGPDFKVOU-OAQYLSRUSA-N 0 0 390.414 5.295 40 5 GKBBRN CC(C)(C)c1ccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000059475465 526785552 /nfs/dbraw/zinc/78/55/52/526785552.db2.gz ZCHBAABHFPMRCL-UHFFFAOYSA-N 0 0 382.382 5.402 40 5 GKBBRN CCCN(Cc1ccccc1)C(=S)Nc1ccc2cc3ccccc3nc2c1 ZINC000409188198 528146366 /nfs/dbraw/zinc/14/63/66/528146366.db2.gz BQHFGJRGUYSMMR-UHFFFAOYSA-N 0 0 385.536 5.997 40 5 GKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000408542196 528200162 /nfs/dbraw/zinc/20/01/62/528200162.db2.gz HZBSPGFLESYRNK-BENRWUELSA-N 0 0 380.400 5.039 40 5 GKBBRN CCOc1cc(CNc2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409113304 528286781 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570341484 /nfs/dbraw/zinc/34/14/84/570341484.db2.gz BQYGWJZQQPXFAJ-GMAHTHKFSA-N 0 0 375.424 5.070 40 5 GKBBRN CC1CCN(c2ccc(C(=O)Nc3cccc4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000006245780 570347571 /nfs/dbraw/zinc/34/75/71/570347571.db2.gz MIBAYPYIFBJAEG-UHFFFAOYSA-N 0 0 389.455 5.237 40 5 GKBBRN Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000408629021 570348679 /nfs/dbraw/zinc/34/86/79/570348679.db2.gz IDRMSSUVYXNGPH-UHFFFAOYSA-N 0 0 387.867 5.045 40 5 GKBBRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000057312773 570356279 /nfs/dbraw/zinc/35/62/79/570356279.db2.gz QREAHNFFEYSWKH-UHFFFAOYSA-N 0 0 390.867 5.342 40 5 GKBBRN Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000825782 570374650 /nfs/dbraw/zinc/37/46/50/570374650.db2.gz FIOWJTDDHQFNPO-QFIPXVFZSA-N 0 0 386.451 5.156 40 5 GKBBRN C[C@]12CC[C@@H]3c4ccc(Cc5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004946137 570377035 /nfs/dbraw/zinc/37/70/35/570377035.db2.gz QABYAMHXIHGLLY-FVEXOFTDSA-N 0 0 389.495 5.611 40 5 GKBBRN O=c1cc(-c2ccccc2)c2nc3cc(Cl)ccc3sc-2c1-c1ccccc1 ZINC000005119268 570429770 /nfs/dbraw/zinc/42/97/70/570429770.db2.gz NAJYOFNXOAHJTR-UHFFFAOYSA-N 0 0 399.902 6.749 40 5 GKBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl ZINC000007949544 570437798 /nfs/dbraw/zinc/43/77/98/570437798.db2.gz IBKGYFPVMRIGDT-UHFFFAOYSA-N 0 0 385.203 5.508 40 5 GKBBRN Cc1ccc(NP(=O)(Nc2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001870325 570438066 /nfs/dbraw/zinc/43/80/66/570438066.db2.gz SKZYBVICRJONCO-UHFFFAOYSA-N 0 0 381.372 5.254 40 5 GKBBRN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000849438 570483055 /nfs/dbraw/zinc/48/30/55/570483055.db2.gz ZVBPGEZRAHJERS-UHFFFAOYSA-N 0 0 393.786 5.309 40 5 GKBBRN O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)c1ccccc1 ZINC000001327804 570567093 /nfs/dbraw/zinc/56/70/93/570567093.db2.gz HIDAPTOIJNGCQK-UHFFFAOYSA-N 0 0 387.489 5.368 40 5 GKBBRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 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ZINC000014601672 570893118 /nfs/dbraw/zinc/89/31/18/570893118.db2.gz AHNNOCNFPODBCO-UHFFFAOYSA-N 0 0 379.121 5.173 40 5 GKBBRN CC1(C)CCC2=C(C1)Nc1ccc(Cl)cc1N[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000104155300 570896670 /nfs/dbraw/zinc/89/66/70/570896670.db2.gz SEZYNTUGGDUUHM-FQEVSTJZSA-N 0 0 383.879 6.291 40 5 GKBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccc2Cl)c1 ZINC000216571859 222578249 /nfs/dbraw/zinc/57/82/49/222578249.db2.gz CRXSKUPGCCOXOV-UHFFFAOYSA-N 0 0 382.803 5.080 40 5 GKBBRN CCn1c2ccccc2c2cc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)ccc21 ZINC000006248922 230844490 /nfs/dbraw/zinc/84/44/90/230844490.db2.gz XBKGAOUMPPULLR-JLHYYAGUSA-N 0 0 385.423 5.375 40 5 GKBBRN Cc1cc(Cl)cc(Cl)c1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000059474554 230945010 /nfs/dbraw/zinc/94/50/10/230945010.db2.gz PQJXDLIQTYMHKM-UHFFFAOYSA-N 0 0 379.165 5.841 40 5 GKBBRN Cc1noc(/C=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)c1[N+](=O)[O-] ZINC000408542777 231055835 /nfs/dbraw/zinc/05/58/35/231055835.db2.gz LAWYGVFXTDKPHS-VAWYXSNFSA-N 0 0 391.402 5.512 40 5 GKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000408613048 231080033 /nfs/dbraw/zinc/08/00/33/231080033.db2.gz WWBAMYZHSUETKD-UHFFFAOYSA-N 0 0 384.435 5.939 40 5 GKBBRN O=C(NCc1ccc(Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408908693 231129178 /nfs/dbraw/zinc/12/91/78/231129178.db2.gz XXHMZFJSNSEFGP-KGENOOAVSA-N 0 0 392.842 5.105 40 5 GKBBRN Cc1sc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)[nH]c(=O)c2c1C ZINC000408735788 231108499 /nfs/dbraw/zinc/10/84/99/231108499.db2.gz XSKIWUOUOYIQEQ-UHFFFAOYSA-N 0 0 381.413 5.157 40 5 GKBBRN Cc1ccc(N(C)C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1C ZINC000408974507 231139108 /nfs/dbraw/zinc/13/91/08/231139108.db2.gz ARQYFJMVGSHWMU-UHFFFAOYSA-N 0 0 397.503 5.891 40 5 GKBBRN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc2ncccc2c2cccnc12 ZINC000408974985 231139154 /nfs/dbraw/zinc/13/91/54/231139154.db2.gz IFYKWVJBZJVDTA-UHFFFAOYSA-N 0 0 382.345 5.446 40 5 GKBBRN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc2cccnc2c2cccnc12 ZINC000408976192 231139923 /nfs/dbraw/zinc/13/99/23/231139923.db2.gz QHECSMMRRUJAKO-UHFFFAOYSA-N 0 0 382.345 5.446 40 5 GKBBRN O=C(Nc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccc2ccccc2c1 ZINC000408978422 231141299 /nfs/dbraw/zinc/14/12/99/231141299.db2.gz ZRHNKDJCWOYEBC-UHFFFAOYSA-N 0 0 388.430 5.670 40 5 GKBBRN O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCCCCC1 ZINC000408995749 231143738 /nfs/dbraw/zinc/14/37/38/231143738.db2.gz NELDFCOYMCLADR-UHFFFAOYSA-N 0 0 376.485 5.406 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000408997117 231143868 /nfs/dbraw/zinc/14/38/68/231143868.db2.gz RGLJNDYRDJAPEM-ILWGZMRPSA-N 0 0 376.843 5.719 40 5 GKBBRN Cc1ccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408997406 231144126 /nfs/dbraw/zinc/14/41/26/231144126.db2.gz OILXVZSHGWYBPY-UHFFFAOYSA-N 0 0 384.464 5.950 40 5 GKBBRN O=C(NCc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408925319 231132515 /nfs/dbraw/zinc/13/25/15/231132515.db2.gz PBAZSIDXEVEZRH-KGENOOAVSA-N 0 0 392.842 5.105 40 5 GKBBRN O=C(Nc1ccccc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408923639 231132768 /nfs/dbraw/zinc/13/27/68/231132768.db2.gz YVQJSRVQAUPUAG-NBVRZTHBSA-N 0 0 378.815 5.428 40 5 GKBBRN Cc1cccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409110354 231163746 /nfs/dbraw/zinc/16/37/46/231163746.db2.gz VBGQRUIMQDDQIU-UHFFFAOYSA-N 0 0 379.372 5.216 40 5 GKBBRN Cc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000409117318 231165017 /nfs/dbraw/zinc/16/50/17/231165017.db2.gz MXYIVXKFFWYADK-UHFFFAOYSA-N 0 0 379.372 5.216 40 5 GKBBRN Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409116273 231165331 /nfs/dbraw/zinc/16/53/31/231165331.db2.gz PBMIYVRNQVXNAG-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 ZINC000409112246 231163536 /nfs/dbraw/zinc/16/35/36/231163536.db2.gz KXGKQJHURQAXMW-UHFFFAOYSA-N 0 0 396.874 6.056 40 5 GKBBRN O=C(Cc1ccc(Cl)cc1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409176369 231174948 /nfs/dbraw/zinc/17/49/48/231174948.db2.gz LQVQGXAZSQYSHP-UHFFFAOYSA-N 0 0 397.814 5.326 40 5 GKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000409179958 231175829 /nfs/dbraw/zinc/17/58/29/231175829.db2.gz QZSHMFCOYPBDOI-HXUWFJFHSA-N 0 0 395.798 5.029 40 5 GKBBRN O=[N+]([O-])c1cc(Cl)c(-c2ccc(-c3nc4ccccc4s3)o2)cc1Cl ZINC000409191844 231177303 /nfs/dbraw/zinc/17/73/03/231177303.db2.gz OQPRNJLVYZYMTQ-UHFFFAOYSA-N 0 0 391.235 6.438 40 5 GKBBRN O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccccc4s3)c2)c([N+](=O)[O-])c1 ZINC000409249388 231187917 /nfs/dbraw/zinc/18/79/17/231187917.db2.gz HSXHLFYTQIIDEY-UHFFFAOYSA-N 0 0 393.380 5.572 40 5 GKBBRN CCc1ccccc1NCc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409117341 529601203 /nfs/dbraw/zinc/60/12/03/529601203.db2.gz QXRNHBYRLRXENJ-UHFFFAOYSA-N 0 0 393.399 5.470 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000006276689 209640781 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O=[N+]([O-])c1ccc(Oc2ccc(CSc3nc4ccccc4s3)cc2)cc1 ZINC000001864277 203922016 /nfs/dbraw/zinc/92/20/16/203922016.db2.gz BEEVWCKDQSFJNN-UHFFFAOYSA-N 0 0 394.477 6.289 40 5 GKBBRN CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000001867103 203922444 /nfs/dbraw/zinc/92/24/44/203922444.db2.gz JFIRJXUIOIRUGR-UHFFFAOYSA-N 0 0 395.209 5.355 40 5 GKBBRN CC(=O)Oc1c2cc(/C=C/c3ccccc3)c([N+](=O)[O-])cc2[nH]c1-c1ccccc1 ZINC000003845211 204019379 /nfs/dbraw/zinc/01/93/79/204019379.db2.gz RKCNYNPBRKEFSK-OUKQBFOZSA-N 0 0 398.418 5.839 40 5 GKBBRN COc1ccc(-c2ccc3cc4ccc(-c5ccc(OC)cc5)nc4cc3n2)cc1 ZINC000003845046 204019413 /nfs/dbraw/zinc/01/94/13/204019413.db2.gz UQTZDQZAUVDUHT-UHFFFAOYSA-N 0 0 392.458 6.134 40 5 GKBBRN O=[N+]([O-])c1cccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000005902291 204157388 /nfs/dbraw/zinc/15/73/88/204157388.db2.gz PWJFPUINKVIMLF-UHFFFAOYSA-N 0 0 388.448 6.209 40 5 GKBBRN COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000005550293 204138568 /nfs/dbraw/zinc/13/85/68/204138568.db2.gz ONFACZBYJYEOFX-UHFFFAOYSA-N 0 0 396.855 6.109 40 5 GKBBRN CC(=O)Nc1c(Cl)c(Cl)c2[nH]c(=O)c3cc(Cl)ccc3c2c1Cl ZINC000008627893 204281794 /nfs/dbraw/zinc/28/17/94/204281794.db2.gz VFMMLYIWOCSVKB-UHFFFAOYSA-N 0 0 390.053 5.666 40 5 GKBBRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000020493086 204723050 /nfs/dbraw/zinc/72/30/50/204723050.db2.gz VZTLKNZLYZZYBP-HNNXBMFYSA-N 0 0 385.272 5.411 40 5 GKBBRN Cc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c([N+](=O)[O-])c1 ZINC000022258309 204777244 /nfs/dbraw/zinc/77/72/44/204777244.db2.gz GKRGLNWHUAGOQA-UHFFFAOYSA-N 0 0 396.830 5.388 40 5 GKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000225507727 211903246 /nfs/dbraw/zinc/90/32/46/211903246.db2.gz JSLWPBJTJLWCGO-UHFFFAOYSA-N 0 0 396.487 5.533 40 5 GKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OC(C)C ZINC000225507682 211903094 /nfs/dbraw/zinc/90/30/94/211903094.db2.gz ZMPPIONHIPSJBD-UHFFFAOYSA-N 0 0 382.460 5.141 40 5 GKBBRN O=[N+]([O-])c1ccc(/C=C2\c3cc(Cl)ccc3-c3c2cc(Cl)cc3Cl)o1 ZINC000031716915 204903908 /nfs/dbraw/zinc/90/39/08/204903908.db2.gz OJFLASZOMATZFH-RIYZIHGNSA-N 0 0 392.625 6.717 40 5 GKBBRN c1cc2cccc3c4ccc5c6cccc7cccc(c8ccc(c(c1)c23)c4c85)c76 ZINC000064624846 205191695 /nfs/dbraw/zinc/19/16/95/205191695.db2.gz BIGSSBUECAXJBO-UHFFFAOYSA-N 0 0 376.458 8.635 40 5 in-vitro GKBBRN O=[N+]([O-])c1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)c1 ZINC000000868878 205699252 /nfs/dbraw/zinc/69/92/52/205699252.db2.gz WOYRTSGEVPUISB-UHFFFAOYSA-N 0 0 382.228 5.244 40 5 GKBBRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C(C)C ZINC000223270921 205994627 /nfs/dbraw/zinc/99/46/27/205994627.db2.gz DTAHHKHSFVPXFW-CYBMUJFWSA-N 0 0 390.867 5.180 40 5 GKBBRN COc1cc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C(C)C ZINC000223271124 205995265 /nfs/dbraw/zinc/99/52/65/205995265.db2.gz RKUZPPFAEXTYCD-ZDUSSCGKSA-N 0 0 390.867 5.180 40 5 GKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000223408271 206000491 /nfs/dbraw/zinc/00/04/91/206000491.db2.gz QHBDUGAWVIZLLE-UHFFFAOYSA-N 0 0 392.436 5.366 40 5 GKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000225507639 206053290 /nfs/dbraw/zinc/05/32/90/206053290.db2.gz KEULKWVEZMPSON-UHFFFAOYSA-N 0 0 382.460 5.143 40 5 GKBBRN CCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] ZINC000004837944 211549547 /nfs/dbraw/zinc/54/95/47/211549547.db2.gz LYJNOYFEKVIPGO-UHFFFAOYSA-N 0 0 376.368 5.145 40 5 GKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000004917498 211557454 /nfs/dbraw/zinc/55/74/54/211557454.db2.gz MMFSXAQUXDFMFD-UHFFFAOYSA-N 0 0 397.239 5.377 40 5 GKBBRN O=c1c2ccccc2c2nccc3c4cc(OCc5ccccc5F)ccc4n1c32 ZINC000006624652 206294271 /nfs/dbraw/zinc/29/42/71/206294271.db2.gz RRLLZBLAEFUUOI-UHFFFAOYSA-N 0 0 394.405 5.310 40 5 biogenic GKBBRN Cc1ccc(C)c(-c2cnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)c1 ZINC000000811293 206323080 /nfs/dbraw/zinc/32/30/80/206323080.db2.gz WMVSGYQPTSQKMW-UHFFFAOYSA-N 0 0 387.848 5.241 40 5 GKBBRN CCOc1ccc(Nc2nc(Nc3cccc(C)c3C)nc(C)c2[N+](=O)[O-])cc1 ZINC000005393488 206610703 /nfs/dbraw/zinc/61/07/03/206610703.db2.gz FBEDRMCBNGGQHQ-UHFFFAOYSA-N 0 0 393.447 5.196 40 5 GKBBRN O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000005901190 206632746 /nfs/dbraw/zinc/63/27/46/206632746.db2.gz FZGKCNRLYZNICR-UHFFFAOYSA-N 0 0 392.455 5.542 40 5 GKBBRN CCCCOc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229466 211083220 /nfs/dbraw/zinc/08/32/20/211083220.db2.gz RFNIHXGRKQXNSI-UHFFFAOYSA-N 0 0 383.231 5.333 40 5 GKBBRN O=C(N[C@H]1CCCc2ccccc21)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000020457863 207195238 /nfs/dbraw/zinc/19/52/38/207195238.db2.gz KNRBMSIEZMDQOU-ICBIFTLVSA-N 0 0 398.462 5.329 40 5 GKBBRN CC(C)(C)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000040882676 208371894 /nfs/dbraw/zinc/37/18/94/208371894.db2.gz DCLMAHCNXGFCIF-UHFFFAOYSA-N 0 0 381.457 5.268 40 5 GKBBRN O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026780058 208909091 /nfs/dbraw/zinc/90/90/91/208909091.db2.gz TVAKVCZHOZFCDT-UHFFFAOYSA-N 0 0 399.410 5.092 40 5 GKBBRN CC(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cc1 ZINC000004322753 220705269 /nfs/dbraw/zinc/70/52/69/220705269.db2.gz SEQBUVKAGGDRLD-DEOSSOPVSA-N 0 0 385.467 6.074 40 5 GKBBRN C[C@]12CC[C@H]3c4ccc(Cc5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004946139 220797047 /nfs/dbraw/zinc/79/70/47/220797047.db2.gz QABYAMHXIHGLLY-LCXINAFSSA-N 0 0 389.495 5.611 40 5 GKBBRN O=[N+]([O-])c1cc(NC(=S)Nc2ccc(Cl)cc2Cl)ccc1Cl ZINC000013812089 221290913 /nfs/dbraw/zinc/29/09/13/221290913.db2.gz SHZNTQWHQQJODU-UHFFFAOYSA-N 0 0 376.652 5.364 40 5 GKBBRN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000016249832 221359517 /nfs/dbraw/zinc/35/95/17/221359517.db2.gz NWSBOSZKUUECSH-UHFFFAOYSA-N 0 0 398.418 5.475 40 5 GKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229355 136167634 /nfs/dbraw/zinc/16/76/34/136167634.db2.gz NQDZYERXQKCTPT-GFCCVEGCSA-N 0 0 391.830 5.018 40 5 GKBBRN Cc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229101 136167635 /nfs/dbraw/zinc/16/76/35/136167635.db2.gz NJLHTWVTCRBSNK-UHFFFAOYSA-N 0 0 387.867 5.045 40 5 GKBBRN Cc1cccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229107 136167657 /nfs/dbraw/zinc/16/76/57/136167657.db2.gz YTAKDJBPASBZOG-CQSZACIVSA-N 0 0 387.867 5.188 40 5 GKBBRN Cc1cccc(C(=O)Nc2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229100 136167675 /nfs/dbraw/zinc/16/76/75/136167675.db2.gz KROXXPDVZKEEBT-UHFFFAOYSA-N 0 0 387.867 5.045 40 5 GKBBRN Cc1cccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229106 136167710 /nfs/dbraw/zinc/16/77/10/136167710.db2.gz YTAKDJBPASBZOG-AWEZNQCLSA-N 0 0 387.867 5.188 40 5 GKBBRN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3o2)cc1 ZINC000068603165 222171668 /nfs/dbraw/zinc/17/16/68/222171668.db2.gz SJVUFRDQBFGACL-UHFFFAOYSA-N 0 0 382.379 5.256 40 5 GKBBRN Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21 ZINC000408624659 533719568 /nfs/dbraw/zinc/71/95/68/533719568.db2.gz YSHHSPABWKLPQX-UHFFFAOYSA-N 0 0 393.424 5.334 40 5 GKBBRN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000408563444 533751259 /nfs/dbraw/zinc/75/12/59/533751259.db2.gz AKEMKBHWESUMMV-UHFFFAOYSA-N 0 0 392.480 5.756 40 5 GKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl ZINC000408603248 533912824 /nfs/dbraw/zinc/91/28/24/533912824.db2.gz BRFKKHDTGKFVOH-UHFFFAOYSA-N 0 0 398.846 5.448 40 5 GKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000409221507 533909407 /nfs/dbraw/zinc/90/94/07/533909407.db2.gz RFKHARPZCLLWKS-BUVRLJJBSA-N 0 0 392.458 5.394 40 5 GKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC000408555758 533915398 /nfs/dbraw/zinc/91/53/98/533915398.db2.gz IGSNPHRYCVGUSC-UHFFFAOYSA-N 0 0 398.846 5.448 40 5 GKBBRN COc1cc(CNc2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409122543 533916154 /nfs/dbraw/zinc/91/61/54/533916154.db2.gz ZIYWUQJNJQHUIM-UHFFFAOYSA-N 0 0 378.428 5.103 40 5 GKBBRN COc1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408975432 534173790 /nfs/dbraw/zinc/17/37/90/534173790.db2.gz KFHVLCUMWWYZRV-UHFFFAOYSA-N 0 0 385.448 5.259 40 5 GKBBRN S=C(Nc1cccc2ccccc21)Nc1cc2ncccc2c2cccnc12 ZINC000408975552 534458345 /nfs/dbraw/zinc/45/83/45/534458345.db2.gz MXNNUJCKHUXEMG-UHFFFAOYSA-N 0 0 380.476 5.745 40 5 GKBBRN S=C(Nc1cccc2ccccc21)Nc1cc2cccnc2c2cccnc12 ZINC000408977570 534458487 /nfs/dbraw/zinc/45/84/87/534458487.db2.gz WRNCHABYRKPYQY-UHFFFAOYSA-N 0 0 380.476 5.745 40 5 GKBBRN Cc1cccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229124 534625202 /nfs/dbraw/zinc/62/52/02/534625202.db2.gz ANIZKIPCRDIUDJ-UHFFFAOYSA-N 0 0 387.867 5.554 40 5 GKBBRN O=C(NCc1ccccc1)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408989075 534678507 /nfs/dbraw/zinc/67/85/07/534678507.db2.gz GUSRJJFGCFCTBP-UHFFFAOYSA-N 0 0 384.464 5.319 40 5 GKBBRN O=C1Nc2ccccc2S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000409099911 534803474 /nfs/dbraw/zinc/80/34/74/534803474.db2.gz RLRFZYSSKGDMMM-ZDLGFXPLSA-N 0 0 398.827 5.594 40 5 GKBBRN O=C1S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000409209199 534823462 /nfs/dbraw/zinc/82/34/62/534823462.db2.gz HQMRUFNZMMISGI-VGOFMYFVSA-N 0 0 395.223 5.143 40 5 GKBBRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc([N+](=O)[O-])c1 ZINC000059960953 534824227 /nfs/dbraw/zinc/82/42/27/534824227.db2.gz GYVFZMCQXWBUNR-UHFFFAOYSA-N 0 0 376.456 5.315 40 5 GKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408569585 534878118 /nfs/dbraw/zinc/87/81/18/534878118.db2.gz JRQANSWKYAKRRF-JOCHJYFZSA-N 0 0 390.414 5.295 40 5 GKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccccc1F ZINC000408567597 534878454 /nfs/dbraw/zinc/87/84/54/534878454.db2.gz GXNJISQCVJBNTG-FQEVSTJZSA-N 0 0 390.414 5.295 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1 ZINC000408557093 534886218 /nfs/dbraw/zinc/88/62/18/534886218.db2.gz MWCQLEBGXFWCKF-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3F)c(Cl)c2)c1 ZINC000408554851 534886459 /nfs/dbraw/zinc/88/64/59/534886459.db2.gz DOHRMKMXXGVBJO-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1 ZINC000008902964 528053764 /nfs/dbraw/zinc/05/37/64/528053764.db2.gz PXXDZVANZZFAMF-UHFFFAOYSA-N 0 0 391.383 5.372 40 5 GKBBRN CC(C)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000408906925 528109938 /nfs/dbraw/zinc/10/99/38/528109938.db2.gz KPYSZCXQXBIHNC-XQNSMLJCSA-N 0 0 386.451 5.898 40 5 GKBBRN CCCN(Cc1ccccc1)C(=S)Nc1cc2ncccc2c2cccnc12 ZINC000408977378 528145968 /nfs/dbraw/zinc/14/59/68/528145968.db2.gz VQQCSQJBMULJQD-UHFFFAOYSA-N 0 0 386.524 5.392 40 5 GKBBRN CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1Cl ZINC000408571137 528173399 /nfs/dbraw/zinc/17/33/99/528173399.db2.gz NTAWANRKHPTJEA-CQSZACIVSA-N 0 0 379.243 5.282 40 5 GKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1F ZINC000408541206 528199517 /nfs/dbraw/zinc/19/95/17/528199517.db2.gz CAADFNDJDLPZSJ-LUAWRHEFSA-N 0 0 398.390 5.178 40 5 GKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 ZINC000408554826 528287411 /nfs/dbraw/zinc/28/74/11/528287411.db2.gz FWENSKLSZKLMRW-UHFFFAOYSA-N 0 0 392.455 5.493 40 5 GKBBRN CCOc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000408925818 528485079 /nfs/dbraw/zinc/48/50/79/528485079.db2.gz QPVKKSCZQAIECF-CJLVFECKSA-N 0 0 388.423 5.173 40 5 GKBBRN CCOc1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408974903 528550630 /nfs/dbraw/zinc/55/06/30/528550630.db2.gz FGJHTAWPTPLMPA-UHFFFAOYSA-N 0 0 399.475 5.649 40 5 GKBBRN C[C@@H](CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000223425432 570246056 /nfs/dbraw/zinc/24/60/56/570246056.db2.gz HEKQWPILMUKJFU-RPNTZMPASA-N 0 0 386.451 5.055 40 5 GKBBRN Cc1cc2nc3c(nc2cc1C)C(O)[C@@H](c1c2ccccc2cc2ccccc21)O3 ZINC000103904800 570297032 /nfs/dbraw/zinc/29/70/32/570297032.db2.gz GMMAJESXCWPQIU-RUZDIDTESA-N 0 0 392.458 6.606 40 5 GKBBRN C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC2c3ccccc3C1c1ccccc12 ZINC000004831889 570305480 /nfs/dbraw/zinc/30/54/80/570305480.db2.gz IIKAEZYRORGRLZ-UBVWURDFSA-N 0 0 384.435 5.221 40 5 GKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000014413105 570310682 /nfs/dbraw/zinc/31/06/82/570310682.db2.gz QEDTYBFDWOZNLL-FMIVXFBMSA-N 0 0 394.814 5.692 40 5 GKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000014412742 570310724 /nfs/dbraw/zinc/31/07/24/570310724.db2.gz LADQNLWHPYCMHZ-MDWZMJQESA-N 0 0 394.814 5.692 40 5 GKBBRN O=C(Nc1ccccc1Sc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000014411383 570310762 /nfs/dbraw/zinc/31/07/62/570310762.db2.gz IEMMXRXSPYOBRK-UHFFFAOYSA-N 0 0 384.844 5.652 40 5 GKBBRN O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl ZINC000072229436 570318941 /nfs/dbraw/zinc/31/89/41/570318941.db2.gz WZROOXLFUWCHBH-UHFFFAOYSA-N 0 0 380.014 5.461 40 5 GKBBRN CCN(CC)c1cc(NC(=O)c2cccc(Cl)c2)c(Cl)cc1[N+](=O)[O-] ZINC000072229273 570318986 /nfs/dbraw/zinc/31/89/86/570318986.db2.gz UCEROCCYRACGIV-UHFFFAOYSA-N 0 0 382.247 5.000 40 5 GKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1Cl ZINC000016346675 570326380 /nfs/dbraw/zinc/32/63/80/570326380.db2.gz DBIWBPGYAKLQIZ-JXMROGBWSA-N 0 0 396.830 5.777 40 5 GKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccc(F)cc1 ZINC000408574025 570327418 /nfs/dbraw/zinc/32/74/18/570327418.db2.gz UKNJMSGXOLTOBQ-NRFANRHFSA-N 0 0 390.414 5.295 40 5 GKBBRN Cc1c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cccc1[N+](=O)[O-] ZINC000219839509 570339252 /nfs/dbraw/zinc/33/92/52/570339252.db2.gz QPUFEDBWASPJMZ-UHFFFAOYSA-N 0 0 396.830 5.388 40 5 GKBBRN C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000408629203 570348911 /nfs/dbraw/zinc/34/89/11/570348911.db2.gz POPYAWRWEQQKLU-MFMIUCCHSA-N 0 0 399.878 5.279 40 5 GKBBRN O=C(Nc1cccc(Cl)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408618766 570351338 /nfs/dbraw/zinc/35/13/38/570351338.db2.gz GKICNMUBEICGCV-UHFFFAOYSA-N 0 0 377.183 5.414 40 5 GKBBRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408621354 570351686 /nfs/dbraw/zinc/35/16/86/570351686.db2.gz MAJHSUMZGXEULV-UHFFFAOYSA-N 0 0 388.851 5.313 40 5 GKBBRN Cc1ccc(S(=O)(=O)N(c2cc(C)ccc2C)c2ccccc2[N+](=O)[O-])cc1 ZINC000004946359 570376913 /nfs/dbraw/zinc/37/69/13/570376913.db2.gz IEOGJQJLEOEOTI-UHFFFAOYSA-N 0 0 396.468 5.047 40 5 GKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccc(C)cc1 ZINC000408573971 570384287 /nfs/dbraw/zinc/38/42/87/570384287.db2.gz UHWBOUGKMDLAAQ-FQEVSTJZSA-N 0 0 396.516 5.118 40 5 GKBBRN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)oc2c1 ZINC000408625905 570387608 /nfs/dbraw/zinc/38/76/08/570387608.db2.gz GAIGUAJBTXIIKB-UHFFFAOYSA-N 0 0 387.395 5.272 40 5 GKBBRN CCCCc1ccc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000006342789 570391583 /nfs/dbraw/zinc/39/15/83/570391583.db2.gz NLYDJVYHIPWVLU-PKNBQFBNSA-N 0 0 381.457 5.199 40 5 GKBBRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2c3ccccc3cc3ccccc32)S1 ZINC000222569134 570415104 /nfs/dbraw/zinc/41/51/04/570415104.db2.gz SNDMOXQBTGIDPK-GHEQTVGYSA-N 0 0 395.531 5.977 40 5 GKBBRN CC(C)c1ccc(/C=C/C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000001945797 570450451 /nfs/dbraw/zinc/45/04/51/570450451.db2.gz DYWXXZYBLVHPNB-DHZHZOJOSA-N 0 0 393.468 5.494 40 5 GKBBRN O=C(Oc1c(Cl)cc(Cl)c2cccnc21)c1cc([N+](=O)[O-])ccc1Cl ZINC000005799524 570457502 /nfs/dbraw/zinc/45/75/02/570457502.db2.gz WIZXVMJXVJJSJG-UHFFFAOYSA-N 0 0 397.601 5.322 40 5 GKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(Cl)ccc1O ZINC000006526753 570465211 /nfs/dbraw/zinc/46/52/11/570465211.db2.gz YGDOIWRFESXLDN-UHFFFAOYSA-N 0 0 399.786 5.103 40 5 GKBBRN O=[N+]([O-])c1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000005172913 570491144 /nfs/dbraw/zinc/49/11/44/570491144.db2.gz PXOZRBGGHQEYRJ-UHFFFAOYSA-N 0 0 380.447 5.999 40 5 GKBBRN O=C(Nc1ccccc1C1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006615617 570504132 /nfs/dbraw/zinc/50/41/32/570504132.db2.gz UNDHZYREZAJUAL-UHFFFAOYSA-N 0 0 379.460 5.105 40 5 GKBBRN Clc1ccc(CSc2ncnc3c4cc5ccccc5nc4sc32)cc1 ZINC000004898282 570637553 /nfs/dbraw/zinc/63/75/53/570637553.db2.gz FHAKCGWLWCUSFO-UHFFFAOYSA-N 0 0 393.924 6.338 40 5 GKBBRN COc1c2ccc3oc4ccccc4c4ccc(c(=O)c1-c1ccccc1)c2c34 ZINC000005003743 570652731 /nfs/dbraw/zinc/65/27/31/570652731.db2.gz PFGQZNOSVXTBFR-UHFFFAOYSA-N 0 0 376.411 6.366 40 5 GKBBRN O=C(Cc1cc2cc3ccccc3cc2oc1=O)c1ccc(-c2ccccc2)cc1 ZINC000059474347 570657315 /nfs/dbraw/zinc/65/73/15/570657315.db2.gz FVPFNEBDZFGBAG-UHFFFAOYSA-N 0 0 390.438 6.039 40 5 GKBBRN O=[N+]([O-])c1ccc2nc(SCc3ccc(Br)cc3)sc2c1 ZINC000006332814 570742878 /nfs/dbraw/zinc/74/28/78/570742878.db2.gz FLKLJKNOLDRAEB-UHFFFAOYSA-N 0 0 381.276 5.259 40 5 GKBBRN O=[N+]([O-])c1ccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716526 570774348 /nfs/dbraw/zinc/77/43/48/570774348.db2.gz FJNDYZVORTVWMR-ZEQRLZLVSA-N 0 0 382.419 5.518 40 5 GKBBRN O=[N+]([O-])c1ccc([C@H]2N(c3ccc(Br)cc3)C2(Cl)Cl)cc1 ZINC000004455897 570789932 /nfs/dbraw/zinc/78/99/32/570789932.db2.gz HSXCHUFKXIJYEP-YJJYDOSJSA-N 0 0 388.048 5.050 40 5 GKBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000005900472 570801856 /nfs/dbraw/zinc/80/18/56/570801856.db2.gz HQFOAMFGHAYQOS-UHFFFAOYSA-N 0 0 382.803 5.080 40 5 GKBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccccc2)c1 ZINC000024522691 570887438 /nfs/dbraw/zinc/88/74/38/570887438.db2.gz DDQUMUXGOPPCFY-BUHFOSPRSA-N 0 0 383.407 5.287 40 5 GKBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017081781 570926508 /nfs/dbraw/zinc/92/65/08/570926508.db2.gz NKFWFXNGCTXQHC-UHFFFAOYSA-N 0 0 399.815 5.370 40 5 GKBBRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000391666172 570998186 /nfs/dbraw/zinc/99/81/86/570998186.db2.gz SCARSXXOTZWFIZ-UHFFFAOYSA-N 0 0 379.121 5.173 40 5 GKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699444 571017254 /nfs/dbraw/zinc/01/72/54/571017254.db2.gz DELOXVMAPGRITF-UHFFFAOYSA-N 0 0 396.830 5.388 40 5 GKBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000006322377 230845983 /nfs/dbraw/zinc/84/59/83/230845983.db2.gz HVFPBVJERKIZRF-UHFFFAOYSA-N 0 0 399.815 5.370 40 5 GKBBRN Cc1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1Cl ZINC000021595587 230907993 /nfs/dbraw/zinc/90/79/93/230907993.db2.gz QJDZEIMWHWTOJS-UHFFFAOYSA-N 0 0 381.240 5.677 40 5 GKBBRN O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(F)c(Cl)c3)c2)cc1 ZINC000408611570 231079921 /nfs/dbraw/zinc/07/99/21/231079921.db2.gz TYIXPKNNFDWPCS-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000408588503 231070511 /nfs/dbraw/zinc/07/05/11/231070511.db2.gz WQECXGOSLAJNJK-UHFFFAOYSA-N 0 0 382.803 5.080 40 5 GKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000408603899 231076046 /nfs/dbraw/zinc/07/60/46/231076046.db2.gz CANXPGXXGIFPCD-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN O=[N+]([O-])c1ccc(NCc2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000408603961 231076088 /nfs/dbraw/zinc/07/60/88/231076088.db2.gz CILLQHQXZROMIW-UHFFFAOYSA-N 0 0 384.435 5.939 40 5 GKBBRN Cc1ccc(COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 ZINC000408605914 231077384 /nfs/dbraw/zinc/07/73/84/231077384.db2.gz HHFQDJMTJFWJCH-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN O=[N+]([O-])c1ccc(NCc2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 ZINC000408608136 231078456 /nfs/dbraw/zinc/07/84/56/231078456.db2.gz MSIDAVDMSCEMFG-UHFFFAOYSA-N 0 0 391.858 5.863 40 5 GKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000408627952 231088021 /nfs/dbraw/zinc/08/80/21/231088021.db2.gz OQZCKJQHCVNMMY-UHFFFAOYSA-N 0 0 379.397 5.025 40 5 GKBBRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000222926885 222619988 /nfs/dbraw/zinc/61/99/88/222619988.db2.gz LWVDYMFZZRGRLE-GOSISDBHSA-N 0 0 390.867 5.342 40 5 GKBBRN Cc1ccc(/C=C2/N=C(c3sc4cc([N+](=O)[O-])ccc4c3Cl)OC2=O)cc1 ZINC000408842034 231120813 /nfs/dbraw/zinc/12/08/13/231120813.db2.gz HYFOQGSBSSRSHZ-RIYZIHGNSA-N 0 0 398.827 5.116 40 5 GKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(CSc2ccccc2)cc1 ZINC000408907164 231128314 /nfs/dbraw/zinc/12/83/14/231128314.db2.gz LTSHMDJMQYLIDL-SDNWHVSQSA-N 0 0 390.464 5.539 40 5 GKBBRN FC(F)(F)c1cccc(NC(=S)Nc2cc3ncccc3c3cccnc23)c1 ZINC000408975570 231139979 /nfs/dbraw/zinc/13/99/79/231139979.db2.gz NECVFFGZQKYEMI-UHFFFAOYSA-N 0 0 398.413 5.611 40 5 GKBBRN FC(F)(F)c1cccc(NC(=S)Nc2cc3ccncc3c3ncccc23)c1 ZINC000408975818 231140343 /nfs/dbraw/zinc/14/03/43/231140343.db2.gz NWVBIGADHCOJDP-UHFFFAOYSA-N 0 0 398.413 5.611 40 5 GKBBRN O=C(NCCC1=CCCCC1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408996187 231143647 /nfs/dbraw/zinc/14/36/47/231143647.db2.gz OQRFFCSQCSKHRN-UHFFFAOYSA-N 0 0 385.471 5.276 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000408994912 231143787 /nfs/dbraw/zinc/14/37/87/231143787.db2.gz HUQOFUAMUHUCSY-BAGYTPMASA-N 0 0 376.843 5.719 40 5 GKBBRN Cc1ccc(NC(=O)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1C ZINC000409001333 231144456 /nfs/dbraw/zinc/14/44/56/231144456.db2.gz PDSZMVFJCYQSIX-UHFFFAOYSA-N 0 0 398.491 6.259 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000409000969 231144610 /nfs/dbraw/zinc/14/46/10/231144610.db2.gz OFOQECLEJFTHFB-NYVOZVTQSA-N 0 0 376.843 5.719 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000409000971 231144761 /nfs/dbraw/zinc/14/47/61/231144761.db2.gz OFOQECLEJFTHFB-YUXAGFNASA-N 0 0 376.843 5.719 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000409000965 231145112 /nfs/dbraw/zinc/14/51/12/231145112.db2.gz OFOQECLEJFTHFB-BVYCBKJFSA-N 0 0 376.843 5.719 40 5 GKBBRN Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000409113763 231164241 /nfs/dbraw/zinc/16/42/41/231164241.db2.gz NRWGWOMFYUKGPG-UHFFFAOYSA-N 0 0 396.874 6.056 40 5 GKBBRN Cc1ccc(NCc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1Cl ZINC000409113882 231164839 /nfs/dbraw/zinc/16/48/39/231164839.db2.gz JHNYJAVVYQTTAQ-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1C ZINC000409118348 231165198 /nfs/dbraw/zinc/16/51/98/231165198.db2.gz PFIBPVHNXDCVSF-UHFFFAOYSA-N 0 0 393.399 5.524 40 5 GKBBRN Cc1c(Cl)cccc1NCc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409116883 231165372 /nfs/dbraw/zinc/16/53/72/231165372.db2.gz MJGVOCKLRUVUDN-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409120479 231166435 /nfs/dbraw/zinc/16/64/35/231166435.db2.gz WFADRXVGYSMYKN-UHFFFAOYSA-N 0 0 379.372 5.216 40 5 GKBBRN Cc1ccc(Cl)cc1NCc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409122001 231167650 /nfs/dbraw/zinc/16/76/50/231167650.db2.gz WJHNIEJRLNZQIE-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN O=C1NC(=Cc2c3ccccc3cc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000409063793 231153239 /nfs/dbraw/zinc/15/32/39/231153239.db2.gz DSRVVGOUEJPZQP-HYARGMPZSA-N 0 0 398.849 5.744 40 5 GKBBRN Cc1cc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)cc([N+](=O)[O-])c1C ZINC000409108874 231162243 /nfs/dbraw/zinc/16/22/43/231162243.db2.gz YOSZNESAFXYHOZ-JAIQZWGSSA-N 0 0 392.436 5.557 40 5 GKBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 ZINC000409174013 231174704 /nfs/dbraw/zinc/17/47/04/231174704.db2.gz PPLILYJKDXCHKJ-UHFFFAOYSA-N 0 0 390.483 5.316 40 5 GKBBRN CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008071972 529430658 /nfs/dbraw/zinc/43/06/58/529430658.db2.gz OSRNHWBTBSLOOJ-QJPKHSJYSA-N 0 0 390.439 6.020 40 5 GKBBRN CCc1ccccc1NCc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409116861 529601270 /nfs/dbraw/zinc/60/12/70/529601270.db2.gz NELUMTRIQXJBJW-UHFFFAOYSA-N 0 0 393.399 5.470 40 5 GKBBRN CCc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409110826 529688596 /nfs/dbraw/zinc/68/85/96/529688596.db2.gz YXYMOZABYFXTOK-UHFFFAOYSA-N 0 0 393.399 5.470 40 5 GKBBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000225507804 222681361 /nfs/dbraw/zinc/68/13/61/222681361.db2.gz GYSYEIIXXJRCIV-KRWDZBQOSA-N 0 0 396.487 5.531 40 5 GKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013717213 210082334 /nfs/dbraw/zinc/08/23/34/210082334.db2.gz JRIUMQVUTCHJMD-UHFFFAOYSA-N 0 0 377.425 5.738 40 5 GKBBRN Cc1c(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cccc1[N+](=O)[O-] ZINC000013687757 210080149 /nfs/dbraw/zinc/08/01/49/210080149.db2.gz ZAWYIZDCNUGMPZ-UHFFFAOYSA-N 0 0 396.830 5.388 40 5 GKBBRN Cc1nn(-c2ccc(F)c(Cl)c2)c(C)c1-c1cc([N+](=O)[O-])ccc1Cl ZINC000005724267 209611725 /nfs/dbraw/zinc/61/17/25/209611725.db2.gz FGXQINXXKRZSAO-UHFFFAOYSA-N 0 0 380.206 5.510 40 5 GKBBRN COc1ccc2nc3cc(Cl)ccc3c(Sc3ccccc3[N+](=O)[O-])c2c1 ZINC000005550294 209602360 /nfs/dbraw/zinc/60/23/60/209602360.db2.gz WPNFXZXCEGGGHQ-UHFFFAOYSA-N 0 0 396.855 6.109 40 5 GKBBRN O=[N+]([O-])c1ccc([C@@H]2N(c3ccc(Br)cc3)C2(Cl)Cl)cc1 ZINC000004455898 209488115 /nfs/dbraw/zinc/48/81/15/209488115.db2.gz HSXCHUFKXIJYEP-FVRDMJKUSA-N 0 0 388.048 5.050 40 5 GKBBRN O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc2c1Cc1ccccc1-2 ZINC000001717009 209336853 /nfs/dbraw/zinc/33/68/53/209336853.db2.gz SJWYOXYKQMQJOX-UHFFFAOYSA-N 0 0 387.438 5.075 40 5 GKBBRN O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)c(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000001711044 209336408 /nfs/dbraw/zinc/33/64/08/209336408.db2.gz BXSUFOUEJTZPFY-UHFFFAOYSA-N 0 0 397.985 5.909 40 5 GKBBRN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1-c1ccc(C)cc1 ZINC000000947321 209282365 /nfs/dbraw/zinc/28/23/65/209282365.db2.gz NHWGCCSBBXAQLD-UHFFFAOYSA-N 0 0 387.848 5.241 40 5 GKBBRN COc1ccc(-c2cnc3c4c2c2ccccc2n4c(=O)c2ccccc23)cc1 ZINC000006624576 209233169 /nfs/dbraw/zinc/23/31/69/209233169.db2.gz DAEHREHEUNUIHD-UHFFFAOYSA-N 0 0 376.415 5.268 40 5 biogenic GKBBRN O=[N+]([O-])c1ccc(/C=C2/c3cc(Cl)ccc3-c3c2cc(Cl)cc3Cl)o1 ZINC000001723753 212254063 /nfs/dbraw/zinc/25/40/63/212254063.db2.gz OJFLASZOMATZFH-ZSOIEALJSA-N 0 0 392.625 6.717 40 5 GKBBRN CN(C)c1ccc(-c2cnc3c4c2c2ccccc2n4c(=O)c2ccccc23)cc1 ZINC000006624386 212148155 /nfs/dbraw/zinc/14/81/55/212148155.db2.gz VYMBNMHJCVMMRW-UHFFFAOYSA-N 0 0 389.458 5.325 40 5 biogenic GKBBRN CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)c2c(ccc3ccccc32)n1 ZINC000003618006 212063565 /nfs/dbraw/zinc/06/35/65/212063565.db2.gz GMLVFBSIXGNMKP-UHFFFAOYSA-N 0 0 383.491 6.529 40 5 GKBBRN Cc1cc(Oc2ccccc2)c2c(ccc3nc(C)cc(Oc4ccccc4)c32)n1 ZINC000001655996 203916498 /nfs/dbraw/zinc/91/64/98/203916498.db2.gz GVMGSIONBDYVGY-UHFFFAOYSA-N 0 0 392.458 6.984 40 5 GKBBRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000005865787 204154326 /nfs/dbraw/zinc/15/43/26/204154326.db2.gz AQUCOVIHTDNQOI-QHHAFSJGSA-N 0 0 394.239 5.163 40 5 GKBBRN O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N(c1ccccc1)c1ccccc1 ZINC000005947283 204158930 /nfs/dbraw/zinc/15/89/30/204158930.db2.gz VALTXIZCEKQUEJ-UHFFFAOYSA-N 0 0 384.391 5.833 40 5 GKBBRN Cc1cccc(C)c1Nc1nc(C)c([N+](=O)[O-])c(Nc2c(C)cccc2C)n1 ZINC000005390607 204130216 /nfs/dbraw/zinc/13/02/16/204130216.db2.gz JZRDZDBZAOVQFT-UHFFFAOYSA-N 0 0 377.448 5.414 40 5 GKBBRN Cn1c2cc3ccccc3cc2nc2cc3c(cc21)c(Cl)c(=O)c1ccccc31 ZINC000005389917 204130267 /nfs/dbraw/zinc/13/02/67/204130267.db2.gz OLWJVUJWXIRGGN-UHFFFAOYSA-N 0 0 394.861 6.200 40 5 GKBBRN Cc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000019932844 204692880 /nfs/dbraw/zinc/69/28/80/204692880.db2.gz JNZAXSVYXDLSSV-FQEVSTJZSA-N 0 0 380.831 5.076 40 5 GKBBRN C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(F)cc1 ZINC000022527491 204782848 /nfs/dbraw/zinc/78/28/48/204782848.db2.gz IXQOHDSRPLWIER-QFNCUCFLSA-N 0 0 390.414 5.152 40 5 GKBBRN CC[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000038755697 205039425 /nfs/dbraw/zinc/03/94/25/205039425.db2.gz BZADETXZRLKZKO-UCPLLFFYSA-N 0 0 386.451 5.403 40 5 GKBBRN Cc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000044849924 205087620 /nfs/dbraw/zinc/08/76/20/205087620.db2.gz JUSMFNWAGYHMPD-FQEVSTJZSA-N 0 0 380.831 5.076 40 5 GKBBRN Cc1c(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cccc1[N+](=O)[O-] ZINC000219765332 211778241 /nfs/dbraw/zinc/77/82/41/211778241.db2.gz HGUBOHAUJLTUJI-UHFFFAOYSA-N 0 0 396.830 5.388 40 5 GKBBRN Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000825783 205698218 /nfs/dbraw/zinc/69/82/18/205698218.db2.gz FIOWJTDDHQFNPO-JOCHJYFZSA-N 0 0 386.451 5.156 40 5 GKBBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 ZINC000225505838 206053471 /nfs/dbraw/zinc/05/34/71/206053471.db2.gz GCLFUWXHDOSTIA-INIZCTEOSA-N 0 0 382.460 5.223 40 5 GKBBRN CCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225538327 206055169 /nfs/dbraw/zinc/05/51/69/206055169.db2.gz WNHISCAZUSWXEN-UHFFFAOYSA-N 0 0 396.487 5.451 40 5 GKBBRN Cc1ccc(S(=O)(=O)Nc2cc(C)nc3c4ccccc4ccc23)c(C)c1 ZINC000040384488 206194352 /nfs/dbraw/zinc/19/43/52/206194352.db2.gz OYIJYMJLYVZENM-UHFFFAOYSA-N 0 0 376.481 5.114 40 5 GKBBRN O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1c2ccccc2cc2ccccc21 ZINC000004548631 206215187 /nfs/dbraw/zinc/21/51/87/206215187.db2.gz AYFABOQSQRDIKQ-STZFKDTASA-N 0 0 394.386 5.246 40 5 GKBBRN O=c1c2ccccc2c2ncc(-c3ccc(Cl)cc3)c3c4ccccc4n1c32 ZINC000006624302 206295309 /nfs/dbraw/zinc/29/53/09/206295309.db2.gz OBVROWWKNWIHIE-UHFFFAOYSA-N 0 0 380.834 5.912 40 5 biogenic GKBBRN COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3ccccc32)cc1 ZINC000001633337 206387084 /nfs/dbraw/zinc/38/70/84/206387084.db2.gz KTYCXBAOXVVIMM-UHFFFAOYSA-N 0 0 390.482 7.344 40 5 GKBBRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000001741685 206389865 /nfs/dbraw/zinc/38/98/65/206389865.db2.gz DTXGEXVSOFSVOG-UHFFFAOYSA-N 0 0 377.681 5.050 40 5 GKBBRN O=[N+]([O-])c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000001708966 206390669 /nfs/dbraw/zinc/39/06/69/206390669.db2.gz WKLIHOSVOZNJHC-UHFFFAOYSA-N 0 0 386.540 6.366 40 5 GKBBRN Cc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc3ccc4ccccc4c32)cc1 ZINC000009239115 206778929 /nfs/dbraw/zinc/77/89/29/206778929.db2.gz BYISHSVZQYBNCM-UHFFFAOYSA-N 0 0 390.442 6.939 40 5 GKBBRN Cc1ccccc1-c1cc(-c2ccccc2C)n(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000017078289 208363851 /nfs/dbraw/zinc/36/38/51/208363851.db2.gz MGVVOBBPHSQNEH-UHFFFAOYSA-N 0 0 383.451 5.790 40 5 GKBBRN C[C@@H](CC[C@H](COc1ccccc1[N+](=O)[O-])[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000002165934 220506231 /nfs/dbraw/zinc/50/62/31/220506231.db2.gz VOWXGOGQMZSMGZ-SLFFLAALSA-N 0 0 391.596 7.515 40 5 GKBBRN Nc1ccccc1/C=C/c1cc(/C=C/c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003845212 220667225 /nfs/dbraw/zinc/66/72/25/220667225.db2.gz VYZGKCNDYZARRL-AQASXUMVSA-N 0 0 387.395 5.426 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1c(F)cccc1Cl ZINC000008040517 221024556 /nfs/dbraw/zinc/02/45/56/221024556.db2.gz UMEILEVFHHELIO-UHFFFAOYSA-N 0 0 381.794 5.452 40 5 GKBBRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000020493085 221494139 /nfs/dbraw/zinc/49/41/39/221494139.db2.gz VZTLKNZLYZZYBP-OAHLLOKOSA-N 0 0 385.272 5.411 40 5 GKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000409138178 533229177 /nfs/dbraw/zinc/22/91/77/533229177.db2.gz YPCCPTDLVUHRNF-UHFFFAOYSA-N 0 0 394.452 5.148 40 5 GKBBRN COc1ccc(C)cc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408923925 533392887 /nfs/dbraw/zinc/39/28/87/533392887.db2.gz IFWMEVXZLHFNBQ-HMMYKYKNSA-N 0 0 388.423 5.091 40 5 GKBBRN Cc1ccc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl ZINC000409055246 533609897 /nfs/dbraw/zinc/60/98/97/533609897.db2.gz XYZLWZQHSALLDW-UHFFFAOYSA-N 0 0 398.871 5.960 40 5 GKBBRN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229510 533637831 /nfs/dbraw/zinc/63/78/31/533637831.db2.gz FJANWTBNIZSKIB-UHFFFAOYSA-N 0 0 397.258 5.351 40 5 GKBBRN Cc1ccc(C(C)C)c(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000059475462 533639066 /nfs/dbraw/zinc/63/90/66/533639066.db2.gz DTSWYQVXIKBXSY-UHFFFAOYSA-N 0 0 382.382 5.536 40 5 GKBBRN O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000072229352 136167649 /nfs/dbraw/zinc/16/76/49/136167649.db2.gz JCCPBWIBGRQEQN-UHFFFAOYSA-N 0 0 394.258 5.144 40 5 GKBBRN COc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118659 533914104 /nfs/dbraw/zinc/91/41/04/533914104.db2.gz QEWUIUHWMFONFS-UHFFFAOYSA-N 0 0 392.455 5.411 40 5 GKBBRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409110473 533911661 /nfs/dbraw/zinc/91/16/61/533911661.db2.gz WHSSXIYGSMRACO-UHFFFAOYSA-N 0 0 392.455 5.411 40 5 GKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 ZINC000408557613 533916016 /nfs/dbraw/zinc/91/60/16/533916016.db2.gz PKUDIDZWVHEFCJ-UHFFFAOYSA-N 0 0 398.846 5.448 40 5 GKBBRN COc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409119088 534186420 /nfs/dbraw/zinc/18/64/20/534186420.db2.gz PMQVKSLOOKIUNM-UHFFFAOYSA-N 0 0 398.846 5.448 40 5 GKBBRN O=C(Nc1cccc(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408911868 534343234 /nfs/dbraw/zinc/34/32/34/534343234.db2.gz OTVLPMVJZDJDOT-DEDYPNTBSA-N 0 0 378.815 5.428 40 5 GKBBRN S=C(Nc1ccc2ccccc2c1)Nc1cc2ncccc2c2cccnc12 ZINC000408977989 534459031 /nfs/dbraw/zinc/45/90/31/534459031.db2.gz XMDPOEHFCGCXJS-UHFFFAOYSA-N 0 0 380.476 5.745 40 5 GKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Cl)c1 ZINC000409179663 534564376 /nfs/dbraw/zinc/56/43/76/534564376.db2.gz TZKBNNWMQVQRKJ-UHFFFAOYSA-N 0 0 383.787 5.398 40 5 GKBBRN Cc1cccc(Cl)c1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408623209 534734195 /nfs/dbraw/zinc/73/41/95/534734195.db2.gz RPUUXHZDYQXSKU-UHFFFAOYSA-N 0 0 391.210 5.722 40 5 GKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(CSc2ccccc2)cc1 ZINC000408908110 534777136 /nfs/dbraw/zinc/77/71/36/534777136.db2.gz TXUZKZGIISMHMZ-XNTDXEJSSA-N 0 0 390.464 5.539 40 5 GKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc(F)c2)cc1 ZINC000408570703 534878283 /nfs/dbraw/zinc/87/82/83/534878283.db2.gz LXYGTMDKKFJDTC-JOCHJYFZSA-N 0 0 390.414 5.295 40 5 GKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)c1 ZINC000408556399 534886066 /nfs/dbraw/zinc/88/60/66/534886066.db2.gz KGOBBXGXYCUMJC-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN CC(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 ZINC000409336960 528136856 /nfs/dbraw/zinc/13/68/56/528136856.db2.gz RNTXUYUYRDQYCG-VJTSUQJLSA-N 0 0 384.479 6.189 40 5 GKBBRN CCCN(Cc1ccccc1)C(=S)Nc1cc2ccncc2c2ncccc12 ZINC000408974233 528146162 /nfs/dbraw/zinc/14/61/62/528146162.db2.gz DNGCNOOOZKECTJ-UHFFFAOYSA-N 0 0 386.524 5.392 40 5 GKBBRN CCOc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409110346 528285430 /nfs/dbraw/zinc/28/54/30/528285430.db2.gz UWASRJDLAXWAQF-UHFFFAOYSA-N 0 0 392.455 5.493 40 5 GKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(F)c1 ZINC000408554760 528287124 /nfs/dbraw/zinc/28/71/24/528287124.db2.gz DEJGNIBMMJNQNV-UHFFFAOYSA-N 0 0 396.418 5.324 40 5 GKBBRN CCOc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)cc1 ZINC000409002298 528603304 /nfs/dbraw/zinc/60/33/04/528603304.db2.gz SVQYEQUNOONAHF-QTJGBDASSA-N 0 0 386.451 5.465 40 5 GKBBRN CCOc1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408911365 528739036 /nfs/dbraw/zinc/73/90/36/528739036.db2.gz NEPKBIRJLLCHHR-CAPFRKAQSA-N 0 0 388.423 5.173 40 5 GKBBRN CC(C)N(C(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)C(C)C ZINC000408975739 528791673 /nfs/dbraw/zinc/79/16/73/528791673.db2.gz MGVMCXPXGCMQAX-UHFFFAOYSA-N 0 0 377.517 5.080 40 5 GKBBRN CCCC[C@@H](CC)CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223425074 570246017 /nfs/dbraw/zinc/24/60/17/570246017.db2.gz NZOZTTYMMYDTRA-IPEVAPCJSA-N 0 0 380.488 5.468 40 5 GKBBRN Cc1c2c(c3ccccc3n2Cc2ccccc2)c(C)c2c1ccnc2C(N)=O ZINC000001572502 570265055 /nfs/dbraw/zinc/26/50/55/570265055.db2.gz VODKCENRSZZLTO-UHFFFAOYSA-N 0 0 379.463 5.107 40 5 GKBBRN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc2c(c1)-c1ccccc1C2 ZINC000001717011 570267555 /nfs/dbraw/zinc/26/75/55/570267555.db2.gz XTPFNUMVJGNERO-UHFFFAOYSA-N 0 0 387.438 5.075 40 5 GKBBRN CC[C@@H](C)c1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1 ZINC000021595581 570306958 /nfs/dbraw/zinc/30/69/58/570306958.db2.gz LZCBDDUYRPYPPH-LLVKDONJSA-N 0 0 388.876 6.229 40 5 GKBBRN Cc1cc(C)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000021595770 570307038 /nfs/dbraw/zinc/30/70/38/570307038.db2.gz DYFMLQBHQRDTRF-UHFFFAOYSA-N 0 0 381.476 5.009 40 5 GKBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000072228878 570318983 /nfs/dbraw/zinc/31/89/83/570318983.db2.gz XNUCVEWWDVZJPH-NSHDSACASA-N 0 0 397.258 5.178 40 5 GKBBRN O=C1S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000210202336 570320892 /nfs/dbraw/zinc/32/08/92/570320892.db2.gz YJEYIYGOIBHLJH-FWPHUCDGSA-N 0 0 386.816 5.045 40 5 GKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccccc1OCc1cccc(F)c1 ZINC000408573586 570326613 /nfs/dbraw/zinc/32/66/13/570326613.db2.gz TXFNOIQFOYFDIU-OAQYLSRUSA-N 0 0 390.414 5.295 40 5 GKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1cccc(C)c1 ZINC000408577372 570330303 /nfs/dbraw/zinc/33/03/03/570330303.db2.gz ZCLDFHSJHIIXHT-FQEVSTJZSA-N 0 0 396.516 5.118 40 5 GKBBRN C[C@@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000408629202 570348971 /nfs/dbraw/zinc/34/89/71/570348971.db2.gz POPYAWRWEQQKLU-KXCGHJCSSA-N 0 0 399.878 5.279 40 5 GKBBRN Cc1c(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000408629289 570349265 /nfs/dbraw/zinc/34/92/65/570349265.db2.gz VLRBFGKXSQZCRU-UHFFFAOYSA-N 0 0 387.867 5.045 40 5 GKBBRN CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3n(-c3ccccc3)c2c1 ZINC000004366947 570371470 /nfs/dbraw/zinc/37/14/70/570371470.db2.gz RRPZIPGTVAQGNK-UHFFFAOYSA-N 0 0 393.490 5.490 40 5 GKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000408621319 570387516 /nfs/dbraw/zinc/38/75/16/570387516.db2.gz LQSUMVOSLLSXPD-UHFFFAOYSA-N 0 0 396.830 5.388 40 5 GKBBRN O=C(Nc1ccc2nc(-c3ccccc3)sc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000006344833 570391390 /nfs/dbraw/zinc/39/13/90/570391390.db2.gz RCJZNYPENKGICD-UHFFFAOYSA-N 0 0 375.409 5.124 40 5 GKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccccc1 ZINC000224328002 570440074 /nfs/dbraw/zinc/44/00/74/570440074.db2.gz KGMQXUHEGKONEU-UHFFFAOYSA-N 0 0 394.452 5.148 40 5 GKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 ZINC000006322134 570476832 /nfs/dbraw/zinc/47/68/32/570476832.db2.gz GSETURSCBFMRJN-UHFFFAOYSA-N 0 0 383.787 5.398 40 5 GKBBRN Oc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(ccc4ccccc43)n2)cc1 ZINC000009233527 570553103 /nfs/dbraw/zinc/55/31/03/570553103.db2.gz MKBZLZNNDXQNHF-UHFFFAOYSA-N 0 0 381.862 7.081 40 5 GKBBRN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3ccc4ccccc4c32)cc1 ZINC000009239141 570553402 /nfs/dbraw/zinc/55/34/02/570553402.db2.gz QRPUBAUEHVXZPT-UHFFFAOYSA-N 0 0 379.890 7.684 40 5 GKBBRN Cc1nc(Nc2ccc3ccccc3c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000005360789 570563335 /nfs/dbraw/zinc/56/33/35/570563335.db2.gz ZSJWCTATWMXVEM-UHFFFAOYSA-N 0 0 385.427 5.358 40 5 GKBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1cccc(C(F)(F)F)c1 ZINC000005390804 570575748 /nfs/dbraw/zinc/57/57/48/570575748.db2.gz UFBVJRIQOIEUPW-UHFFFAOYSA-N 0 0 395.215 5.284 40 5 GKBBRN Cc1ccc(C2=N[C@H]3C=CC=C[C@H]3S[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000004071796 570615136 /nfs/dbraw/zinc/61/51/36/570615136.db2.gz HXIHDRLMICWHIA-NNWRFLSQSA-N 0 0 376.481 5.434 40 5 GKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(Cl)c1 ZINC000033735135 570646382 /nfs/dbraw/zinc/64/63/82/570646382.db2.gz RAAWADMISQAIKN-UHFFFAOYSA-N 0 0 383.787 5.398 40 5 GKBBRN C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111760 570806168 /nfs/dbraw/zinc/80/61/68/570806168.db2.gz GZXQKHZQOREQTC-OAHLLOKOSA-N 0 0 386.517 5.003 40 5 GKBBRN CCCCCOP(=O)(OCCCCC)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005699833 570812835 /nfs/dbraw/zinc/81/28/35/570812835.db2.gz RWSWYGMCDAPGDB-UHFFFAOYSA-N 0 0 386.385 5.733 40 5 GKBBRN Cc1c(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cccc1[N+](=O)[O-] ZINC000059960961 570825639 /nfs/dbraw/zinc/82/56/39/570825639.db2.gz WZIUFFPUUHYNTO-UHFFFAOYSA-N 0 0 390.483 5.623 40 5 GKBBRN CN(C)c1ccc([C@]2(Cl)c3ccccc3N(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000004522510 570840989 /nfs/dbraw/zinc/84/09/89/570840989.db2.gz JRTKCQUIHQNKSO-QFIPXVFZSA-N 0 0 393.874 5.273 40 5 GKBBRN CC1(C)CCC2=C(C1)Nc1ccc(Cl)cc1N[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000104155296 570896524 /nfs/dbraw/zinc/89/65/24/570896524.db2.gz SEZYNTUGGDUUHM-HXUWFJFHSA-N 0 0 383.879 6.291 40 5 GKBBRN CCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1cccc([N+](=O)[O-])c1 ZINC000016711351 570907441 /nfs/dbraw/zinc/90/74/41/570907441.db2.gz OZUTWPAXVYMTJQ-DQRAZIAOSA-N 0 0 375.453 5.530 40 5 GKBBRN c1ccc2cc(NCCSCc3nc4ccccc4c4ccccc34)ccc2c1 ZINC000015922225 570908729 /nfs/dbraw/zinc/90/87/29/570908729.db2.gz ZKKKAPSCTDAMQQ-UHFFFAOYSA-N 0 0 394.543 6.887 40 5 GKBBRN C[C@@H](CC[C@@H](COc1ccccc1[N+](=O)[O-])[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000004582841 570910859 /nfs/dbraw/zinc/91/08/59/570910859.db2.gz VOWXGOGQMZSMGZ-UFYCRDLUSA-N 0 0 391.596 7.515 40 5 GKBBRN Cc1cc([N+](=O)[O-])ccc1Oc1ccc(SC(Cl)(Cl)Cl)cc1 ZINC000072232645 570920461 /nfs/dbraw/zinc/92/04/61/570920461.db2.gz NSKWIMRIVBAHOO-UHFFFAOYSA-N 0 0 378.664 6.115 40 5 GKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225537949 570956471 /nfs/dbraw/zinc/95/64/71/570956471.db2.gz UPQKSVKOORGOSC-UHFFFAOYSA-N 0 0 396.487 5.533 40 5 GKBBRN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000787556 571002682 /nfs/dbraw/zinc/00/26/82/571002682.db2.gz CMOOHRSXPUWGIQ-UHFFFAOYSA-N 0 0 380.014 5.461 40 5 GKBBRN Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000017081185 230899047 /nfs/dbraw/zinc/89/90/47/230899047.db2.gz JHHBRSCRAGTOJH-JXMROGBWSA-N 0 0 396.830 5.777 40 5 GKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1Cl ZINC000017081177 230899236 /nfs/dbraw/zinc/89/92/36/230899236.db2.gz DIVIAPNWQSGWCG-CSKARUKUSA-N 0 0 396.830 5.777 40 5 GKBBRN Cc1noc(/C=C/c2ccccc2OCc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000408543230 231056213 /nfs/dbraw/zinc/05/62/13/231056213.db2.gz NXISLMJLKLKTNW-BUHFOSPRSA-N 0 0 386.407 5.794 40 5 GKBBRN O=[N+]([O-])c1ccc(NCc2cn(Cc3ccccc3F)c3ccccc23)cc1 ZINC000408611593 231079991 /nfs/dbraw/zinc/07/99/91/231079991.db2.gz UEOKTMMKIHJNHC-UHFFFAOYSA-N 0 0 375.403 5.349 40 5 GKBBRN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408601600 231075476 /nfs/dbraw/zinc/07/54/76/231075476.db2.gz KRZRNNRTVVQUDD-LZWSPWQCSA-N 0 0 394.427 5.537 40 5 GKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408608164 231078651 /nfs/dbraw/zinc/07/86/51/231078651.db2.gz MVDVUYSVAQYXRI-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccccc2F)cc1 ZINC000408608036 231079038 /nfs/dbraw/zinc/07/90/38/231079038.db2.gz MDTBHCVFFUCKOU-UHFFFAOYSA-N 0 0 386.810 5.578 40 5 GKBBRN O=C(Nc1nc2c(cccc2Cl)s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408620610 231083043 /nfs/dbraw/zinc/08/30/43/231083043.db2.gz HSSQZLBQQKRXFP-UHFFFAOYSA-N 0 0 399.815 5.370 40 5 GKBBRN Cc1c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cccc1[N+](=O)[O-] ZINC000408620258 231083320 /nfs/dbraw/zinc/08/33/20/231083320.db2.gz LIRKPOPKKLULDO-UHFFFAOYSA-N 0 0 391.210 5.722 40 5 GKBBRN CN(C(=S)Nc1cc2cccnc2c2cccnc12)c1ccc2ccccc2c1 ZINC000408976793 231140172 /nfs/dbraw/zinc/14/01/72/231140172.db2.gz SEZHOIWMCFSIHX-UHFFFAOYSA-N 0 0 394.503 5.769 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000408997116 231143629 /nfs/dbraw/zinc/14/36/29/231143629.db2.gz RGLJNDYRDJAPEM-HJNYFJLDSA-N 0 0 376.843 5.719 40 5 GKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000408997768 231143934 /nfs/dbraw/zinc/14/39/34/231143934.db2.gz SUHCWRDXYDFBEI-AYRHNUGRSA-N 0 0 392.458 6.219 40 5 GKBBRN O=C(Nc1cccc2ccccc21)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408926587 231132250 /nfs/dbraw/zinc/13/22/50/231132250.db2.gz UUBYOARVCDOMAU-HAVVHWLPSA-N 0 0 394.430 5.927 40 5 GKBBRN Cc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000409112965 231163742 /nfs/dbraw/zinc/16/37/42/231163742.db2.gz MTEJGPFRBYFRHB-UHFFFAOYSA-N 0 0 393.399 5.524 40 5 GKBBRN Cc1cccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000409115918 231164208 /nfs/dbraw/zinc/16/42/08/231164208.db2.gz IMEIZHXURYCMGW-UHFFFAOYSA-N 0 0 393.399 5.524 40 5 GKBBRN Cc1c(Cl)cccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409115527 231164329 /nfs/dbraw/zinc/16/43/29/231164329.db2.gz JOMPZMZWSQZFSK-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409116791 231165298 /nfs/dbraw/zinc/16/52/98/231165298.db2.gz LHIOXYJMPGDLOI-UHFFFAOYSA-N 0 0 382.847 5.748 40 5 GKBBRN Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C ZINC000409119268 231165997 /nfs/dbraw/zinc/16/59/97/231165997.db2.gz SHRZWVVCJYRVFE-UHFFFAOYSA-N 0 0 396.874 6.056 40 5 GKBBRN O=Cc1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081677 231156160 /nfs/dbraw/zinc/15/61/60/231156160.db2.gz HNYFBZTVESDQTE-UHFFFAOYSA-N 0 0 380.105 5.525 40 5 GKBBRN Cc1ccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)cc1[N+](=O)[O-] ZINC000409105829 231161284 /nfs/dbraw/zinc/16/12/84/231161284.db2.gz PALKFGYJXRBSIA-ODLFYWEKSA-N 0 0 378.409 5.249 40 5 GKBBRN Cc1cccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 ZINC000409111727 231163204 /nfs/dbraw/zinc/16/32/04/231163204.db2.gz BVMQGHGFUAKRIC-UHFFFAOYSA-N 0 0 379.372 5.216 40 5 GKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000409179957 231175562 /nfs/dbraw/zinc/17/55/62/231175562.db2.gz QZSHMFCOYPBDOI-FQEVSTJZSA-N 0 0 395.798 5.029 40 5 GKBBRN CCc1ccc(NCc2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409135028 529688374 /nfs/dbraw/zinc/68/83/74/529688374.db2.gz QUETVYQZARLTRP-UHFFFAOYSA-N 0 0 396.874 6.002 40 5 GKBBRN O=C(CSc1nc2ccccc2c2ccccc21)c1cc2ccccc2oc1=O ZINC000016525586 210191624 /nfs/dbraw/zinc/19/16/24/210191624.db2.gz SZHQAMGXHCXAPL-UHFFFAOYSA-N 0 0 397.455 5.469 40 5 GKBBRN