smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000107862696 843213647 /nfs/dbraw/zinc/21/36/47/843213647.db2.gz ZGKMDGWFSVUYNN-UHFFFAOYSA-N 0 0 397.412 3.990 40 5 GHBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000008560796 856259643 /nfs/dbraw/zinc/25/96/43/856259643.db2.gz MLNACHRSEOOZMM-UHFFFAOYSA-N 0 0 396.153 3.526 40 5 GHBBRN O=Cc1cc([N+](=O)[O-])c(SC2=NCCS2)cc1SC1=NCCS1 ZINC000059596940 862950744 /nfs/dbraw/zinc/95/07/44/862950744.db2.gz PMHPFFSAOHUUIS-UHFFFAOYSA-N 0 0 385.517 3.797 40 5 GHBBRN Cc1cccn2c(C[NH+]3CCC(C(=O)[O-])CC3)c(-c3ccc([N+](=O)[O-])cc3)nc12 ZINC000002599739 878065055 /nfs/dbraw/zinc/06/50/55/878065055.db2.gz SIWVFNBWCUMPMM-UHFFFAOYSA-N 0 0 394.431 3.515 40 5 GHBBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000217898423 894649253 /nfs/dbraw/zinc/64/92/53/894649253.db2.gz GZPSQRRONYMTMY-NYYWCZLTSA-N 0 0 398.806 3.970 40 5 GHBBRN Cc1ccc(-c2noc(CNC(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000218053091 894973046 /nfs/dbraw/zinc/97/30/46/894973046.db2.gz YCXGMJPBDSQKAV-UHFFFAOYSA-N 0 0 398.444 3.503 40 5 GHBBRN CCc1ccc(Cc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000020197166 900154078 /nfs/dbraw/zinc/15/40/78/900154078.db2.gz GYCPCSSETVMKIM-UHFFFAOYSA-N 0 0 398.444 3.862 40 5 GHBBRN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Cl ZINC000020611682 900175109 /nfs/dbraw/zinc/17/51/09/900175109.db2.gz SEVGFSLSEULVGS-UHFFFAOYSA-N 0 0 375.812 3.646 40 5 GHBBRN Cc1ccc([C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000030755264 900508047 /nfs/dbraw/zinc/50/80/47/900508047.db2.gz MXQILFGQQNBSEO-HXUWFJFHSA-N 0 0 382.441 3.971 40 5 GHBBRN CCCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000006051211 916331774 /nfs/dbraw/zinc/33/17/74/916331774.db2.gz TYLSKNIKDDJAEO-UHFFFAOYSA-N 0 0 387.388 3.822 40 5 GHBBRN CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000007360570 919119468 /nfs/dbraw/zinc/11/94/68/919119468.db2.gz JPWPWLZEBRRQKL-UHFFFAOYSA-N 0 0 380.422 3.501 40 5 GHBBRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008475618 921871438 /nfs/dbraw/zinc/87/14/38/921871438.db2.gz IITSGLRZBHGEHP-UHFFFAOYSA-N 0 0 378.388 3.649 40 5 GHBBRN CCc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000408628886 529687699 /nfs/dbraw/zinc/68/76/99/529687699.db2.gz XOSRDXRGARNAFF-UHFFFAOYSA-N 0 0 398.488 3.884 40 5 GHBBRN C[C@@H]1S[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(Cl)cc2)C1=O ZINC000005759338 204150148 /nfs/dbraw/zinc/15/01/48/204150148.db2.gz NCYLDWWWWRCQQZ-XYZCENFISA-N 0 0 389.820 3.522 40 5 GHBBRN CCc1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 ZINC000020034115 204697639 /nfs/dbraw/zinc/69/76/39/204697639.db2.gz XAOCGJKYJQUEQJ-UHFFFAOYSA-N 0 0 377.209 3.578 40 5 GHBBRN COc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000022532070 204782591 /nfs/dbraw/zinc/78/25/91/204782591.db2.gz XQFLODUOTCJVNS-UHFFFAOYSA-N 0 0 382.825 3.996 40 5 GHBBRN COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(OC)c1OC ZINC000218183555 205946107 /nfs/dbraw/zinc/94/61/07/205946107.db2.gz VZQMBWBLVQNNIV-WEVVVXLNSA-N 0 0 392.795 3.926 40 5 GHBBRN COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000008560759 533447324 /nfs/dbraw/zinc/44/73/24/533447324.db2.gz YGTTXBGNBJJWLV-QPJJXVBHSA-N 0 0 377.740 3.817 40 5 GHBBRN CCN(CC)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000004896629 136196697 /nfs/dbraw/zinc/19/66/97/136196697.db2.gz OKAHHADHVXGEOA-UHFFFAOYSA-N 0 0 398.463 3.530 40 5 GHBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(COc2ccccc2F)n1 ZINC000408580649 527217774 /nfs/dbraw/zinc/21/77/74/527217774.db2.gz DMPSEFJLDZASRY-UHFFFAOYSA-N 0 0 388.380 3.785 40 5 GHBBRN CCCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000039767706 527961895 /nfs/dbraw/zinc/96/18/95/527961895.db2.gz AMNHJBQJOCYRHJ-UHFFFAOYSA-N 0 0 395.375 3.636 40 5 GHBBRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000408629086 570387589 /nfs/dbraw/zinc/38/75/89/570387589.db2.gz ZCRGXFFSQSYTGJ-UHFFFAOYSA-N 0 0 389.433 3.519 40 5 GHBBRN O=[N+]([O-])c1cccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000860669 570663867 /nfs/dbraw/zinc/66/38/67/570663867.db2.gz UQWRVETVPYIPAA-OAHLLOKOSA-N 0 0 384.866 3.685 40 5 GHBBRN CC1CCN(c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])CC1 ZINC000007388861 570835234 /nfs/dbraw/zinc/83/52/34/570835234.db2.gz ZAFIYIFYNQJQOU-UHFFFAOYSA-N 0 0 384.392 3.992 40 5 GHBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000008902338 857351467 /nfs/dbraw/zinc/35/14/67/857351467.db2.gz PMOTZPDMPDQZFX-UHFFFAOYSA-N 0 0 383.448 3.981 40 5 GHBBRN O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3cccc([N+](=O)[O-])c3)c12 ZINC000022606803 861160201 /nfs/dbraw/zinc/16/02/01/861160201.db2.gz XLJIXSYKDRNSSR-UHFFFAOYSA-N 0 0 385.383 3.588 40 5 GHBBRN O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000217874411 894607133 /nfs/dbraw/zinc/60/71/33/894607133.db2.gz NEYWFEZSXUAVMJ-UHFFFAOYSA-N 0 0 393.186 3.882 40 5 GHBBRN CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 ZINC000020611851 900175243 /nfs/dbraw/zinc/17/52/43/900175243.db2.gz UMPQKDVVTOHDGQ-UHFFFAOYSA-N 0 0 399.447 3.719 40 5 GHBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 ZINC000032126768 900549979 /nfs/dbraw/zinc/54/99/79/900549979.db2.gz KBFKTLGZRHEONP-UHFFFAOYSA-N 0 0 394.416 3.630 40 5 GHBBRN CCOC(=O)C1CCN(C(=S)Nc2cc3ccncc3c3ncccc23)CC1 ZINC000006350277 916842956 /nfs/dbraw/zinc/84/29/56/916842956.db2.gz OYDIMGDUCNNXET-UHFFFAOYSA-N 0 0 394.500 3.755 40 5 GHBBRN Cc1ccc(C)c(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn2)c1 ZINC000408526681 231050248 /nfs/dbraw/zinc/05/02/48/231050248.db2.gz AECSUCFEAFXLNO-UHFFFAOYSA-N 0 0 394.343 3.796 40 5 GHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1[N+](=O)[O-] ZINC000408641117 231090217 /nfs/dbraw/zinc/09/02/17/231090217.db2.gz KOGIDBZDSGKGEY-ZDUSSCGKSA-N 0 0 387.823 3.857 40 5 GHBBRN O=C(Cc1ccc(Cl)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000006969771 204227874 /nfs/dbraw/zinc/22/78/74/204227874.db2.gz HLXPJJOEBQTFOF-UHFFFAOYSA-N 0 0 394.258 3.793 40 5 GHBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c([N+](=O)[O-])c1 ZINC000009198778 204302398 /nfs/dbraw/zinc/30/23/98/204302398.db2.gz UNJDSRQHUBAEIN-UHFFFAOYSA-N 0 0 384.417 3.992 40 5 GHBBRN CC(=O)Nc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000009233134 204303389 /nfs/dbraw/zinc/30/33/89/204303389.db2.gz KBPRZZWPKHELGH-LICLKQGHSA-N 0 0 397.412 3.790 40 5 GHBBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN=Cc2cc([N+](=O)[O-])ccc21 ZINC000073642474 205031044 /nfs/dbraw/zinc/03/10/44/205031044.db2.gz NFFLWOFAXGLFJD-UHFFFAOYSA-N 0 0 387.823 3.871 40 5 GHBBRN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000004996688 205758871 /nfs/dbraw/zinc/75/88/71/205758871.db2.gz ACEPMKAJBMIHHR-ZDUSSCGKSA-N 0 0 397.460 3.818 40 5 GHBBRN CCN(c1cccc(Br)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224998795 206032800 /nfs/dbraw/zinc/03/28/00/206032800.db2.gz XYLPPRJGZUCBGZ-UHFFFAOYSA-N 0 0 385.239 3.573 40 5 GHBBRN CCCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000008902408 528692930 /nfs/dbraw/zinc/69/29/30/528692930.db2.gz IFBJBRBBFVCXSY-UHFFFAOYSA-N 0 0 399.447 3.863 40 5 GHBBRN CC(C)c1ccc(C=CC(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408626865 570387861 /nfs/dbraw/zinc/38/78/61/570387861.db2.gz IZLBPBKAQFLSMV-LFYBBSHMSA-N 0 0 384.461 3.749 40 5 GHBBRN COC(=O)c1cn(C(=O)CSCc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000222570681 570747667 /nfs/dbraw/zinc/74/76/67/570747667.db2.gz AESBCNLJFGUJOA-UHFFFAOYSA-N 0 0 384.413 3.910 40 5 GHBBRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222766671 570754259 /nfs/dbraw/zinc/75/42/59/570754259.db2.gz PIDNLSUWUJPWKG-ROUUACIJSA-N 0 0 380.429 3.852 40 5 GHBBRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000002621035 861427214 /nfs/dbraw/zinc/42/72/14/861427214.db2.gz FQRWHDFUQSNQQA-UHFFFAOYSA-N 0 0 395.337 3.703 40 5 GHBBRN O=[N+]([O-])c1cccc(-c2n[nH]c(CCNc3ccc(Br)cc3)n2)c1 ZINC000064873681 857309472 /nfs/dbraw/zinc/30/94/72/857309472.db2.gz OCEBUXVFRYYGKC-UHFFFAOYSA-N 0 0 388.225 3.797 40 5 GHBBRN O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1cccc([N+](=O)[O-])c1 ZINC000059475021 862911658 /nfs/dbraw/zinc/91/16/58/862911658.db2.gz ISDPHKZFALIRGG-UHFFFAOYSA-N 0 0 379.401 3.771 40 5 GHBBRN Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c(C[NH+]3CCC(C(=O)[O-])CC3)n2c1 ZINC000002528892 877811227 /nfs/dbraw/zinc/81/12/27/877811227.db2.gz FUNGXENDHJESRK-UHFFFAOYSA-N 0 0 394.431 3.515 40 5 GHBBRN Cc1cccc(-c2noc(CNC(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000218052987 894973329 /nfs/dbraw/zinc/97/33/29/894973329.db2.gz UPYTUSOFZKRJFC-UHFFFAOYSA-N 0 0 398.444 3.503 40 5 GHBBRN Cc1cc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)ccc1[N+](=O)[O-] ZINC000218134011 895066915 /nfs/dbraw/zinc/06/69/15/895066915.db2.gz BSELEOPGUYGOPK-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN O=[N+]([O-])c1cc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)ccc1F ZINC000328968462 898360757 /nfs/dbraw/zinc/36/07/57/898360757.db2.gz CZTALVJHFKDWMO-UHFFFAOYSA-N 0 0 394.410 3.528 40 5 GHBBRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000020491917 900167579 /nfs/dbraw/zinc/16/75/79/900167579.db2.gz UOEYNKAXIZGFGB-GOSISDBHSA-N 0 0 392.477 3.978 40 5 GHBBRN CC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000007929166 920567737 /nfs/dbraw/zinc/56/77/37/920567737.db2.gz YBMFFQBNBMPDAO-AWEZNQCLSA-N 0 0 382.416 3.851 40 5 GHBBRN CCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000009062453 922560683 /nfs/dbraw/zinc/56/06/83/922560683.db2.gz UVJBNGWTAXEZNB-UHFFFAOYSA-N 0 0 397.416 3.714 40 5 GHBBRN COc1cc2ccccc2cc1C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1 ZINC000020528442 230904159 /nfs/dbraw/zinc/90/41/59/230904159.db2.gz VMAOENHVHNVULJ-UHFFFAOYSA-N 0 0 397.343 3.926 40 5 GHBBRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000103718950 231014191 /nfs/dbraw/zinc/01/41/91/231014191.db2.gz ZJXUNDMGCQJTST-CYBMUJFWSA-N 0 0 387.823 3.857 40 5 GHBBRN Cc1ccc(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000408530645 231051713 /nfs/dbraw/zinc/05/17/13/231051713.db2.gz MKIKJEYMZOLQQM-UHFFFAOYSA-N 0 0 395.419 3.728 40 5 GHBBRN CN(C)NC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408974910 231138965 /nfs/dbraw/zinc/13/89/65/231138965.db2.gz FMKWHAKDHWFXCA-UHFFFAOYSA-N 0 0 399.483 3.642 40 5 GHBBRN COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409145916 231171084 /nfs/dbraw/zinc/17/10/84/231171084.db2.gz SMHYHVQIBSYMAJ-MHWRWJLKSA-N 0 0 388.401 3.846 40 5 GHBBRN CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624554 203827024 /nfs/dbraw/zinc/82/70/24/203827024.db2.gz YVDCKTSEMRWXNJ-AWEZNQCLSA-N 0 0 399.450 3.884 40 5 biogenic GHBBRN CCOC(=O)c1c(C)nn2c1c1cccc3c(Br)ccc(c2=O)c13 ZINC000005672847 204145309 /nfs/dbraw/zinc/14/53/09/204145309.db2.gz UDMZUKJTNOECEW-UHFFFAOYSA-N 0 0 385.217 3.686 40 5 GHBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 ZINC000006478268 204180580 /nfs/dbraw/zinc/18/05/80/204180580.db2.gz IYNKIJXEPCFNMX-UHFFFAOYSA-N 0 0 394.416 3.630 40 5 GHBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(F)cc2)N[C@H](c2ccc(F)cc2)[C@H]1[N+](=O)[O-] ZINC000033795591 204967451 /nfs/dbraw/zinc/96/74/51/204967451.db2.gz OLWNCVCXQCBLHB-TVFCKZIOSA-N 0 0 391.374 3.667 40 5 GHBBRN Cc1cc(Cl)c(Cl)cc1S(=O)(=O)n1cnc2cc([N+](=O)[O-])ccc21 ZINC000096305700 205557396 /nfs/dbraw/zinc/55/73/96/205557396.db2.gz KOZBIZBYCSDBRF-UHFFFAOYSA-N 0 0 386.216 3.797 40 5 GHBBRN CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225020436 206034474 /nfs/dbraw/zinc/03/44/74/206034474.db2.gz MLBPSLYMVPXKGW-UHFFFAOYSA-N 0 0 385.239 3.573 40 5 GHBBRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 ZINC000226092756 206089639 /nfs/dbraw/zinc/08/96/39/206089639.db2.gz ICQVTJBEEIOPEB-UHFFFAOYSA-N 0 0 384.779 3.559 40 5 GHBBRN CCC1(CC)C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000225767277 206074562 /nfs/dbraw/zinc/07/45/62/206074562.db2.gz QGDGQGWJXNXEKN-KRWDZBQOSA-N 0 0 390.461 3.956 40 5 GHBBRN COc1cc(C=C2SC(=O)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833799 533472446 /nfs/dbraw/zinc/47/24/46/533472446.db2.gz WKSPXACOWUBNAS-CXUHLZMHSA-N 0 0 386.385 3.506 40 5 GHBBRN Cc1cc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000006280463 570356042 /nfs/dbraw/zinc/35/60/42/570356042.db2.gz YKYXIVDKZFVYOQ-UHFFFAOYSA-N 0 0 398.444 3.916 40 5 GHBBRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000408625771 570387566 /nfs/dbraw/zinc/38/75/66/570387566.db2.gz FNSIVDFXICIUAF-UHFFFAOYSA-N 0 0 386.458 3.948 40 5 GHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1I ZINC000005583760 570661992 /nfs/dbraw/zinc/66/19/92/570661992.db2.gz RXXSSZYBLOHQQI-UHFFFAOYSA-N 0 0 386.120 3.591 40 5 GHBBRN Cc1ccc(C2=N/C(=C/c3cc4c(cc3Cl)OCO4)C(=O)O2)cc1[N+](=O)[O-] ZINC000001056109 570748654 /nfs/dbraw/zinc/74/86/54/570748654.db2.gz CEYUDAIGIAFLLM-YIXHJXPBSA-N 0 0 386.747 3.630 40 5 GHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1NC(C2CCCCC2)=C[C@]1(O)C(F)(F)F ZINC000032100796 570959369 /nfs/dbraw/zinc/95/93/69/570959369.db2.gz UQNKHHXRRVAYIU-INIZCTEOSA-N 0 0 385.342 3.628 40 5 GHBBRN COc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000003065981 862159981 /nfs/dbraw/zinc/15/99/81/862159981.db2.gz LPULIIWVTCZFHV-HXUWFJFHSA-N 0 0 398.440 3.671 40 5 GHBBRN O=[N+]([O-])c1ccc(-c2n[nH]c(CCNc3cccc(Br)c3)n2)cc1 ZINC000064873672 857308845 /nfs/dbraw/zinc/30/88/45/857308845.db2.gz ODRZSPNKKFHJEF-UHFFFAOYSA-N 0 0 388.225 3.797 40 5 GHBBRN CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000020410864 860565998 /nfs/dbraw/zinc/56/59/98/860565998.db2.gz KLOSCHZCUWUCRA-UHFFFAOYSA-N 0 0 399.447 3.572 40 5 GHBBRN CCCOC(=O)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000109024250 866256119 /nfs/dbraw/zinc/25/61/19/866256119.db2.gz ZEMKKDHWFVLGOV-ATVHPVEESA-N 0 0 380.356 3.506 40 5 GHBBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000217898618 894649046 /nfs/dbraw/zinc/64/90/46/894649046.db2.gz POJMNHRCBLNRLX-JXMROGBWSA-N 0 0 384.417 3.768 40 5 GHBBRN Cc1c(Nc2cc(C(F)(F)F)nc(NC3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000329044230 898368978 /nfs/dbraw/zinc/36/89/78/898368978.db2.gz SVGCSQIFHNGRQS-UHFFFAOYSA-N 0 0 381.358 3.654 40 5 GHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cccc2ccccc21 ZINC000020611797 900175002 /nfs/dbraw/zinc/17/50/02/900175002.db2.gz ZXJLSHJVRNAWBY-UHFFFAOYSA-N 0 0 377.400 3.837 40 5 GHBBRN CCOC(=O)C1CCN(C(=S)Nc2cc3cccnc3c3cccnc23)CC1 ZINC000005979578 916200455 /nfs/dbraw/zinc/20/04/55/916200455.db2.gz ZMZMUKUPPGVQNY-UHFFFAOYSA-N 0 0 394.500 3.755 40 5 GHBBRN Cc1ccc(C)n1N(CC(=O)c1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008475577 921871364 /nfs/dbraw/zinc/87/13/64/921871364.db2.gz JMCDDUKTGWMLKP-UHFFFAOYSA-N 0 0 377.400 3.674 40 5 GHBBRN Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000020196928 204705426 /nfs/dbraw/zinc/70/54/26/204705426.db2.gz DGTSYHQJOXCUGL-UHFFFAOYSA-N 0 0 398.444 3.916 40 5 GHBBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000222799261 205988089 /nfs/dbraw/zinc/98/80/89/205988089.db2.gz JLCSQRWCZVYNHI-OALUTQOASA-N 0 0 393.472 3.773 40 5 GHBBRN CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224791367 206027969 /nfs/dbraw/zinc/02/79/69/206027969.db2.gz WFOJETDZXDETHE-UHFFFAOYSA-N 0 0 399.812 3.680 40 5 GHBBRN Cc1ccccc1C(=O)Nc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1Cl ZINC000072229089 136167617 /nfs/dbraw/zinc/16/76/17/136167617.db2.gz RDCQUKKBYXSMGA-UHFFFAOYSA-N 0 0 388.855 3.561 40 5 GHBBRN CCc1ccc(C(=O)Nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229138 136167648 /nfs/dbraw/zinc/16/76/48/136167648.db2.gz BISQKSQLUCKYFD-UHFFFAOYSA-N 0 0 389.839 3.900 40 5 GHBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000020410755 136202681 /nfs/dbraw/zinc/20/26/81/136202681.db2.gz KOTIOQBRZDHFST-UHFFFAOYSA-N 0 0 396.230 3.991 40 5 GHBBRN COc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000408628350 534180673 /nfs/dbraw/zinc/18/06/73/534180673.db2.gz RMGWXQBVESDMCP-UHFFFAOYSA-N 0 0 389.433 3.517 40 5 GHBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000408628394 534781187 /nfs/dbraw/zinc/78/11/87/534781187.db2.gz SHMZRTPJAOGVEG-UHFFFAOYSA-N 0 0 385.232 3.533 40 5 GHBBRN CCCN1C(=O)C(=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)NC1=S ZINC000409088279 528162257 /nfs/dbraw/zinc/16/22/57/528162257.db2.gz WOTJFHHCNNWMQP-PDGQHHTCSA-N 0 0 397.456 3.641 40 5 GHBBRN CCOC(=O)C1CCN(C(=S)Nc2cc3cccnc3c3ncccc23)CC1 ZINC000408974808 528641388 /nfs/dbraw/zinc/64/13/88/528641388.db2.gz FANMIXCEYLLTAH-UHFFFAOYSA-N 0 0 394.500 3.755 40 5 GHBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C)n1 ZINC000225872601 528701624 /nfs/dbraw/zinc/70/16/24/528701624.db2.gz GEBOWOVZCHUBQK-UHFFFAOYSA-N 0 0 399.447 3.774 40 5 GHBBRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409826 570310798 /nfs/dbraw/zinc/31/07/98/570310798.db2.gz WSQUDCYSXBGOEG-UHFFFAOYSA-N 0 0 397.460 3.912 40 5 GHBBRN CC[C@@H](C)NC(=O)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624289 570455330 /nfs/dbraw/zinc/45/53/30/570455330.db2.gz BNNZZLGTCPGWHM-CQSZACIVSA-N 0 0 399.450 3.885 40 5 biogenic GHBBRN O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1CCOc1ccc(F)cc1 ZINC000409053607 570696477 /nfs/dbraw/zinc/69/64/77/570696477.db2.gz NNQCKXZEGIVTGO-WJDWOHSUSA-N 0 0 388.376 3.849 40 5 GHBBRN O=[N+]([O-])c1cc(Br)cc2c3ccccc3c(NCCCO)nc21 ZINC000031719597 570774212 /nfs/dbraw/zinc/77/42/12/570774212.db2.gz HCCGHDNMXQFLHU-UHFFFAOYSA-N 0 0 376.210 3.853 40 5 GHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000016129466 570887809 /nfs/dbraw/zinc/88/78/09/570887809.db2.gz CWTUYXBUVHAZIB-UHFFFAOYSA-N 0 0 389.202 3.606 40 5 GHBBRN CO[C@@H](COC[C@@H](OC)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000604938974 862445928 /nfs/dbraw/zinc/44/59/28/862445928.db2.gz DGVDSTVGIBQGTI-HDICACEKSA-N 0 0 376.365 3.595 40 5 GHBBRN O=C(Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2s1)c1ccco1 ZINC000008902739 857351590 /nfs/dbraw/zinc/35/15/90/857351590.db2.gz ACBWTUHNRZBBPB-UHFFFAOYSA-N 0 0 398.356 3.895 40 5 GHBBRN COc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000020759913 860641346 /nfs/dbraw/zinc/64/13/46/860641346.db2.gz MBVAYKDSSMPKRU-UHFFFAOYSA-N 0 0 387.417 3.878 40 5 GHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000217891197 894637604 /nfs/dbraw/zinc/63/76/04/894637604.db2.gz JFTOTTVNJSWEEF-RUDMXATFSA-N 0 0 384.779 3.628 40 5 GHBBRN O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc([N+](=O)[O-])cc1Cl ZINC000218122073 895053421 /nfs/dbraw/zinc/05/34/21/895053421.db2.gz UHHJZXZSWSKGKF-UHFFFAOYSA-N 0 0 393.186 3.882 40 5 GHBBRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1Cl ZINC000032118635 900548558 /nfs/dbraw/zinc/54/85/58/900548558.db2.gz QDPNBKAWHWKVPA-UHFFFAOYSA-N 0 0 393.896 3.677 40 5 GHBBRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032118742 900548646 /nfs/dbraw/zinc/54/86/46/900548646.db2.gz HNTJKRQCSKZKQF-UHFFFAOYSA-N 0 0 393.896 3.677 40 5 GHBBRN O=C(Nc1ccc2ccccc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000006152858 916509300 /nfs/dbraw/zinc/50/93/00/916509300.db2.gz AURNXIUBICIMJQ-UHFFFAOYSA-N 0 0 377.400 3.837 40 5 GHBBRN Cc1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006479634 917046294 /nfs/dbraw/zinc/04/62/94/917046294.db2.gz WJYORKJLDWNXNR-UHFFFAOYSA-N 0 0 397.408 3.955 40 5 GHBBRN CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927947 920568627 /nfs/dbraw/zinc/56/86/27/920568627.db2.gz VJICAWZOANESBK-MRXNPFEDSA-N 0 0 381.432 3.711 40 5 GHBBRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2=O)c1C ZINC000069525083 230949214 /nfs/dbraw/zinc/94/92/14/230949214.db2.gz XKYQHLVFLONUGG-ZDUSSCGKSA-N 0 0 387.823 3.857 40 5 GHBBRN NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409023435 231148769 /nfs/dbraw/zinc/14/87/69/231148769.db2.gz XFSASBKKFGRXRK-XMHGGMMESA-N 0 0 387.395 3.873 40 5 GHBBRN COCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O ZINC000409136206 231170170 /nfs/dbraw/zinc/17/01/70/231170170.db2.gz RPLJWQHRSVVOEC-MHWRWJLKSA-N 0 0 388.401 3.846 40 5 GHBBRN COCCCN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409232557 231184757 /nfs/dbraw/zinc/18/47/57/231184757.db2.gz RCHTZICMHOJDDS-LFIBNONCSA-N 0 0 388.401 3.928 40 5 GHBBRN Cc1c(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000329007240 203769093 /nfs/dbraw/zinc/76/90/93/203769093.db2.gz LJVLHJDKJJDPBP-UHFFFAOYSA-N 0 0 390.447 3.697 40 5 GHBBRN O=C1CCC(=O)N1CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000004744640 204071834 /nfs/dbraw/zinc/07/18/34/204071834.db2.gz VOIXQIKYSLPQTP-UHFFFAOYSA-N 0 0 378.819 3.540 40 5 GHBBRN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000009199178 204301878 /nfs/dbraw/zinc/30/18/78/204301878.db2.gz MXZGXDGADQQBMR-UHFFFAOYSA-N 0 0 398.444 3.916 40 5 GHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 ZINC000022515946 204783329 /nfs/dbraw/zinc/78/33/29/204783329.db2.gz VRVMSRHWYFSFMT-LLVKDONJSA-N 0 0 392.433 3.740 40 5 GHBBRN COc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000065086191 205210003 /nfs/dbraw/zinc/21/00/03/205210003.db2.gz HHNYVUSZIURQJC-UHFFFAOYSA-N 0 0 378.812 3.628 40 5 GHBBRN COc1cc(OCC(=O)Nc2ccc(Br)cc2F)ccc1[N+](=O)[O-] ZINC000066013706 205240024 /nfs/dbraw/zinc/24/00/24/205240024.db2.gz WCECQQJUGOPPKL-UHFFFAOYSA-N 0 0 399.172 3.523 40 5 GHBBRN CCN(c1ccccc1Br)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225001747 206032392 /nfs/dbraw/zinc/03/23/92/206032392.db2.gz XBKOTEZPYICGTL-UHFFFAOYSA-N 0 0 385.239 3.573 40 5 GHBBRN O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000028284694 206041330 /nfs/dbraw/zinc/04/13/30/206041330.db2.gz DMDSDXBMYBGJAS-UHFFFAOYSA-N 0 0 388.339 3.869 40 5 GHBBRN COc1cc2c(cc1C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1OC)CCCC2 ZINC000255187986 206150413 /nfs/dbraw/zinc/15/04/13/206150413.db2.gz IDMMBTILKJAJRR-UHFFFAOYSA-N 0 0 386.404 3.752 40 5 GHBBRN COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=C2\SC(=N)NC2=O)o1 ZINC000408972468 533132292 /nfs/dbraw/zinc/13/22/92/533132292.db2.gz CFRPJQWRKDGCMN-PQMHYQBVSA-N 0 0 379.781 3.655 40 5 GHBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000020528730 533447459 /nfs/dbraw/zinc/44/74/59/533447459.db2.gz MWQBGSZIXUFFCB-UHFFFAOYSA-N 0 0 396.153 3.526 40 5 GHBBRN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000020410748 136202645 /nfs/dbraw/zinc/20/26/45/136202645.db2.gz VORRYHQOUAJIPT-UHFFFAOYSA-N 0 0 375.812 3.646 40 5 GHBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000020410754 136202660 /nfs/dbraw/zinc/20/26/60/136202660.db2.gz UDVGCOCTPFGZDT-UHFFFAOYSA-N 0 0 396.230 3.991 40 5 GHBBRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)cc1F ZINC000160141022 534672362 /nfs/dbraw/zinc/67/23/62/534672362.db2.gz IORSHMACUVWCRO-UHFFFAOYSA-N 0 0 386.202 3.622 40 5 GHBBRN CCOc1ccc(-c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nn2)cc1 ZINC000408534563 528351078 /nfs/dbraw/zinc/35/10/78/528351078.db2.gz VNOIAOIVAOVKIT-UHFFFAOYSA-N 0 0 395.371 3.678 40 5 GHBBRN CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409814 570310756 /nfs/dbraw/zinc/31/07/56/570310756.db2.gz GYPBQKTXSVBNGO-UHFFFAOYSA-N 0 0 397.460 3.912 40 5 GHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000016127586 570317313 /nfs/dbraw/zinc/31/73/13/570317313.db2.gz STKHUVAUOLNXRT-UHFFFAOYSA-N 0 0 376.312 3.603 40 5 GHBBRN COC(=O)c1cccn1C(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-] ZINC000001725237 570341827 /nfs/dbraw/zinc/34/18/27/570341827.db2.gz XEMVLUYNDKACBU-UHFFFAOYSA-N 0 0 394.383 3.759 40 5 GHBBRN CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc(F)cc2)N[C@H](c2ccc(F)cc2)[C@@H]1[N+](=O)[O-] ZINC000033795592 570419394 /nfs/dbraw/zinc/41/93/94/570419394.db2.gz OLWNCVCXQCBLHB-BDXSIMOUSA-N 0 0 391.374 3.667 40 5 GHBBRN CCc1[nH+]c(N)nc(N)c1-c1ccc(N[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006294619 570475997 /nfs/dbraw/zinc/47/59/97/570475997.db2.gz MKDIUOVQPQWTBF-GFCCVEGCSA-N 0 0 378.436 3.952 40 5 GHBBRN Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1 ZINC000000850969 570494443 /nfs/dbraw/zinc/49/44/43/570494443.db2.gz STYRTVCLSVZEQE-AQTBWJFISA-N 0 0 391.383 3.906 40 5 GHBBRN COc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000005527024 570625937 /nfs/dbraw/zinc/62/59/37/570625937.db2.gz JXYCCBRRUISGOH-UHFFFAOYSA-N 0 0 375.431 3.944 40 5 GHBBRN CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc12 ZINC000004130172 862812467 /nfs/dbraw/zinc/81/24/67/862812467.db2.gz TVELOQVLHPVBCH-ORAYPTAESA-N 0 0 399.476 3.686 40 5 GHBBRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)c1 ZINC000022010573 869361011 /nfs/dbraw/zinc/36/10/11/869361011.db2.gz YRUWOAVAXJZNNN-UHFFFAOYSA-N 0 0 397.460 3.738 40 5 GHBBRN CC(C)(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccn2)n1 ZINC000328964919 898360402 /nfs/dbraw/zinc/36/04/02/898360402.db2.gz BYFRQXNRSLTTSN-UHFFFAOYSA-N 0 0 378.436 3.691 40 5 GHBBRN CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329011478 898364861 /nfs/dbraw/zinc/36/48/61/898364861.db2.gz MEZSYAWTNRUPSX-QMMMGPOBSA-N 0 0 389.765 3.855 40 5 GHBBRN O=[N+]([O-])c1ccc(CNc2cc(-c3ccccc3)nc(NC3CCCC3)n2)cc1 ZINC000329019288 898365848 /nfs/dbraw/zinc/36/58/48/898365848.db2.gz NVYMDWQELMGSCI-UHFFFAOYSA-N 0 0 389.459 3.862 40 5 GHBBRN CCOC(=O)C1CCN(C(=S)Nc2cc3ncccc3c3cccnc23)CC1 ZINC000006570066 917211452 /nfs/dbraw/zinc/21/14/52/917211452.db2.gz VKERHAIAMFDMJY-UHFFFAOYSA-N 0 0 394.500 3.755 40 5 GHBBRN Nn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000409098315 231159979 /nfs/dbraw/zinc/15/99/79/231159979.db2.gz PVIALWPGDWOYMO-UHFFFAOYSA-N 0 0 381.339 3.737 40 5 GHBBRN O=[N+]([O-])c1cccc(CNc2cc(-c3ccccc3)nc(NC3CCCC3)n2)c1 ZINC000328961012 203766818 /nfs/dbraw/zinc/76/68/18/203766818.db2.gz AZYPQJYYIDXKDM-UHFFFAOYSA-N 0 0 389.459 3.862 40 5 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Cc1c(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cccc1[N+](=O)[O-] ZINC000017077930 570927042 /nfs/dbraw/zinc/92/70/42/570927042.db2.gz AWROLMNHRVOUOW-UHFFFAOYSA-N 0 0 381.413 3.889 40 5 GHBBRN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000045938800 571003098 /nfs/dbraw/zinc/00/30/98/571003098.db2.gz QQQLMDPVSZSGAW-UHFFFAOYSA-N 0 0 395.337 3.703 40 5 GHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000008286498 856095905 /nfs/dbraw/zinc/09/59/05/856095905.db2.gz DDOKODUAZXJQRB-UHFFFAOYSA-N 0 0 387.823 3.739 40 5 GHBBRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000020611107 860619794 /nfs/dbraw/zinc/61/97/94/860619794.db2.gz RIXYOQIBMYOGKE-UHFFFAOYSA-N 0 0 381.323 3.622 40 5 GHBBRN CC(C)(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000328961525 898358838 /nfs/dbraw/zinc/35/88/38/898358838.db2.gz BDOHTTZOQREZHG-UHFFFAOYSA-N 0 0 378.436 3.691 40 5 GHBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(C(F)(F)F)nc(NC2CCCCC2)n1 ZINC000328968501 898360798 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ZINC000008434714 921806592 /nfs/dbraw/zinc/80/65/92/921806592.db2.gz LTCRIJSSGIOSRC-UHFFFAOYSA-N 0 0 393.355 3.511 40 5 GHBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccco1 ZINC000006356597 230846465 /nfs/dbraw/zinc/84/64/65/230846465.db2.gz GXMGNJIPTJETAZ-UHFFFAOYSA-N 0 0 387.421 3.505 40 5 GHBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000008902474 230869174 /nfs/dbraw/zinc/86/91/74/230869174.db2.gz APIFWRLGXNRZKK-UHFFFAOYSA-N 0 0 377.400 3.837 40 5 GHBBRN Cc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409310612 231189321 /nfs/dbraw/zinc/18/93/21/231189321.db2.gz BKTGPORRFOBLDQ-LICLKQGHSA-N 0 0 382.397 3.822 40 5 GHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1 ZINC000223737296 222641905 /nfs/dbraw/zinc/64/19/05/222641905.db2.gz RCPAXMOZHCCZFK-UHFFFAOYSA-N 0 0 384.413 3.866 40 5 GHBBRN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000003844215 204019314 /nfs/dbraw/zinc/01/93/14/204019314.db2.gz 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COc1ccc(C2=Nc3nc(SC)nn3[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000100068442 205603846 /nfs/dbraw/zinc/60/38/46/205603846.db2.gz XBTVAWSISYNXJL-KRWDZBQOSA-N 0 0 395.444 3.973 40 5 GHBBRN COc1cccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000000928990 205702426 /nfs/dbraw/zinc/70/24/26/205702426.db2.gz FNJBHEWKDFILEI-UHFFFAOYSA-N 0 0 386.433 3.603 40 5 GHBBRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000025357512 205983572 /nfs/dbraw/zinc/98/35/72/205983572.db2.gz UDDSAOHHBQLLFQ-DAYGRLMNSA-N 0 0 393.436 3.521 40 5 GHBBRN CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224744372 206027075 /nfs/dbraw/zinc/02/70/75/206027075.db2.gz LQQIGVDSVVTBLY-UHFFFAOYSA-N 0 0 385.239 3.573 40 5 GHBBRN CCC1(CC)C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000225767259 206074371 /nfs/dbraw/zinc/07/43/71/206074371.db2.gz QGDGQGWJXNXEKN-QGZVFWFLSA-N 0 0 390.461 3.956 40 5 GHBBRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408623769 533406671 /nfs/dbraw/zinc/40/66/71/533406671.db2.gz RXPOJIXEAHAZOA-UHFFFAOYSA-N 0 0 379.825 3.692 40 5 GHBBRN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1C ZINC000013633068 136201434 /nfs/dbraw/zinc/20/14/34/136201434.db2.gz AGWQNEPHUHMQMZ-UHFFFAOYSA-N 0 0 394.475 3.748 40 5 GHBBRN O=C(NC[C@@H]1CCCO1)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O ZINC000006624328 570455675 /nfs/dbraw/zinc/45/56/75/570455675.db2.gz ORVPILFMZWKZNY-AWEZNQCLSA-N 0 0 397.434 3.501 40 5 biogenic GHBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(CO)c3ccccc32)o1 ZINC000226768999 570461364 /nfs/dbraw/zinc/46/13/64/570461364.db2.gz YVUFLUYAZJORGK-UHFFFAOYSA-N 0 0 392.367 3.999 40 5 GHBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000214764167 570903453 /nfs/dbraw/zinc/90/34/53/570903453.db2.gz GVGPGEOXWDGABO-MHWRWJLKSA-N 0 0 397.412 3.578 40 5 GHBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(Cl)c1 ZINC000017080294 570918586 /nfs/dbraw/zinc/91/85/86/570918586.db2.gz RUSZWHBOTTWWDH-UHFFFAOYSA-N 0 0 392.849 3.985 40 5 GHBBRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000017079052 570927002 /nfs/dbraw/zinc/92/70/02/570927002.db2.gz LIIWCVOKGVJMGU-UHFFFAOYSA-N 0 0 387.351 3.648 40 5 GHBBRN O=C(NC(=S)Nc1ccccc1O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107723923 842947917 /nfs/dbraw/zinc/94/79/17/842947917.db2.gz KCWAJOCACADMGS-UHFFFAOYSA-N 0 0 383.385 3.687 40 5 GHBBRN O=[N+]([O-])c1ccc(NCCOc2nonc2-c2ccccc2)c2ncccc12 ZINC000059384012 862882765 /nfs/dbraw/zinc/88/27/65/862882765.db2.gz OOBJDNKZHMSHRM-UHFFFAOYSA-N 0 0 377.360 3.684 40 5 GHBBRN CC(C)(C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccncc2)n1 ZINC000328963782 898359637 /nfs/dbraw/zinc/35/96/37/898359637.db2.gz BRDDXJABDRFFSK-UHFFFAOYSA-N 0 0 378.436 3.691 40 5 GHBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccncc2)n1 ZINC000329066621 898372209 /nfs/dbraw/zinc/37/22/09/898372209.db2.gz YCLMIRUEZUOPCX-GOSISDBHSA-N 0 0 394.435 3.619 40 5 GHBBRN CC(C)(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329065762 898372585 /nfs/dbraw/zinc/37/25/85/898372585.db2.gz XUNGVJXLYQPVFR-UHFFFAOYSA-N 0 0 378.436 3.691 40 5 GHBBRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000030867888 900514803 /nfs/dbraw/zinc/51/48/03/900514803.db2.gz CVCMCPNTOAXJQG-IBGZPJMESA-N 0 0 392.477 3.810 40 5 GHBBRN Cc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc32)cc1[N+](=O)[O-] ZINC000006546827 917175704 /nfs/dbraw/zinc/17/57/04/917175704.db2.gz VTJBWIVBOMVSRA-UHFFFAOYSA-N 0 0 381.413 3.889 40 5 GHBBRN Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1 ZINC000005793127 204151881 /nfs/dbraw/zinc/15/18/81/204151881.db2.gz CMGLCNFXEJLAKH-UHFFFAOYSA-N 0 0 395.371 3.766 40 5 GHBBRN Cc1cccc(-c2noc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 ZINC000007759337 204248473 /nfs/dbraw/zinc/24/84/73/204248473.db2.gz ZRWBRLZTEBSJCK-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl ZINC000223649118 206004166 /nfs/dbraw/zinc/00/41/66/206004166.db2.gz ONYYBBUZJKBXNM-UHFFFAOYSA-N 0 0 377.205 3.711 40 5 GHBBRN CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224752847 206026984 /nfs/dbraw/zinc/02/69/84/206026984.db2.gz GIFQPKWOFUSZPT-UHFFFAOYSA-N 0 0 398.440 3.999 40 5 GHBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Br)c1OC ZINC000408620284 533558597 /nfs/dbraw/zinc/55/85/97/533558597.db2.gz LOCFSCLBPQJAHX-UHFFFAOYSA-N 0 0 395.209 3.935 40 5 GHBBRN O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000409054124 534390021 /nfs/dbraw/zinc/39/00/21/534390021.db2.gz ROBIRKUWVFNNJY-UHFFFAOYSA-N 0 0 387.823 3.739 40 5 GHBBRN O=C(NC(=S)NCc1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408628208 534782002 /nfs/dbraw/zinc/78/20/02/534782002.db2.gz QVTPZBHQKKQUSM-UHFFFAOYSA-N 0 0 381.413 3.659 40 5 GHBBRN CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000408628196 528268549 /nfs/dbraw/zinc/26/85/49/528268549.db2.gz QOLNDCVLLMFLBM-UHFFFAOYSA-N 0 0 398.488 3.958 40 5 GHBBRN CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1 ZINC000020528637 528668761 /nfs/dbraw/zinc/66/87/61/528668761.db2.gz GCILNVOVAKTJNB-UHFFFAOYSA-N 0 0 389.364 3.943 40 5 GHBBRN CC[C@@H](C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000329062736 529356542 /nfs/dbraw/zinc/35/65/42/529356542.db2.gz WYGIQERVCVLSEZ-OAHLLOKOSA-N 0 0 377.448 3.718 40 5 GHBBRN CCNc1cc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000013633072 535523040 /nfs/dbraw/zinc/52/30/40/535523040.db2.gz ZXKKQHUBZARARG-UHFFFAOYSA-N 0 0 382.464 3.606 40 5 GHBBRN Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccncc1 ZINC000024770841 570292035 /nfs/dbraw/zinc/29/20/35/570292035.db2.gz XEVDJQVKZUICPF-UHFFFAOYSA-N 0 0 381.339 3.955 40 5 GHBBRN CCOC(=O)[C@H]1C[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@H]12 ZINC000006242313 570347429 /nfs/dbraw/zinc/34/74/29/570347429.db2.gz IKFVSVFHVALILA-DFQSSKMNSA-N 0 0 392.411 3.631 40 5 GHBBRN O=C(NC(=S)Nc1nc2c(cccc2Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000408625747 570387573 /nfs/dbraw/zinc/38/75/73/570387573.db2.gz FKYHTCOFSCMXAH-UHFFFAOYSA-N 0 0 392.849 3.985 40 5 GHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000005184772 570495446 /nfs/dbraw/zinc/49/54/46/570495446.db2.gz CQNZATFWOGJWID-UHFFFAOYSA-N 0 0 397.412 3.648 40 5 GHBBRN COc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000013549718 570654708 /nfs/dbraw/zinc/65/47/08/570654708.db2.gz QCFCOWMWNMFLQQ-SXGWCWSVSA-N 0 0 386.385 3.506 40 5 GHBBRN Cc1ccccc1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000059095460 862784294 /nfs/dbraw/zinc/78/42/94/862784294.db2.gz OEKNXKOKVBWOKN-UHFFFAOYSA-N 0 0 398.444 3.586 40 5 GHBBRN COc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1ccc(Br)cc1 ZINC000033469569 893083090 /nfs/dbraw/zinc/08/30/90/893083090.db2.gz LQBAYQVLNNHHOV-HJWRWDBZSA-N 0 0 378.178 3.924 40 5 GHBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccccc2Cl)no1 ZINC000217897356 894649295 /nfs/dbraw/zinc/64/92/95/894649295.db2.gz ZMWWWASSZZQXSO-JXMROGBWSA-N 0 0 384.779 3.628 40 5 GHBBRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000020108911 900151416 /nfs/dbraw/zinc/15/14/16/900151416.db2.gz DHKXKQBGGLJEJZ-SFHVURJKSA-N 0 0 378.450 3.669 40 5 GHBBRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 ZINC000020611850 900174867 /nfs/dbraw/zinc/17/48/67/900174867.db2.gz YVOLAIQLIIKRCL-HNNXBMFYSA-N 0 0 399.447 3.861 40 5 GHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000020611709 900174885 /nfs/dbraw/zinc/17/48/85/900174885.db2.gz VKTFCSOMXYAECW-UHFFFAOYSA-N 0 0 396.230 3.991 40 5 GHBBRN Cc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006525648 917132469 /nfs/dbraw/zinc/13/24/69/917132469.db2.gz CUSZIABLBRJXOH-UHFFFAOYSA-N 0 0 396.424 3.988 40 5 GHBBRN CCCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009062413 922560903 /nfs/dbraw/zinc/56/09/03/922560903.db2.gz NKUFYVGXDSLIJK-UHFFFAOYSA-N 0 0 395.375 3.636 40 5 GHBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1Cl ZINC000408638971 231090480 /nfs/dbraw/zinc/09/04/80/231090480.db2.gz DUWHOFGPXOTPQN-CYBMUJFWSA-N 0 0 387.823 3.857 40 5 GHBBRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Br ZINC000006846890 204214462 /nfs/dbraw/zinc/21/44/62/204214462.db2.gz HZZSTUHRCJBSFW-UHFFFAOYSA-N 0 0 396.153 3.526 40 5 GHBBRN CCCc1nnc(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])n1CC ZINC000020033953 204696841 /nfs/dbraw/zinc/69/68/41/204696841.db2.gz XNBMIXZWRGXASD-UHFFFAOYSA-N 0 0 377.470 3.506 40 5 GHBBRN Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1[N+](=O)[O-] ZINC000217944707 205943223 /nfs/dbraw/zinc/94/32/23/205943223.db2.gz DERQDTIXIXHXPW-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000224959066 206032621 /nfs/dbraw/zinc/03/26/21/206032621.db2.gz DOKVRZRECOZCEE-UHFFFAOYSA-N 0 0 375.450 3.694 40 5 GHBBRN C[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1C2CC3CC(C2)CC1C3 ZINC000005234565 206216274 /nfs/dbraw/zinc/21/62/74/206216274.db2.gz WXYQBDUESZGSKL-SYSDIAMWSA-N 0 0 398.912 3.987 40 5 GHBBRN O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004896577 136196675 /nfs/dbraw/zinc/19/66/75/136196675.db2.gz DMKBGDMVFMATHT-UHFFFAOYSA-N 0 0 396.230 3.991 40 5 GHBBRN Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)ccc1Br ZINC000160212783 533952746 /nfs/dbraw/zinc/95/27/46/533952746.db2.gz KQBQQBFTTUCOOW-UHFFFAOYSA-N 0 0 382.239 3.792 40 5 GHBBRN CCOc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1[N+](=O)[O-] ZINC000020142458 520919053 /nfs/dbraw/zinc/91/90/53/520919053.db2.gz RBFKPQSHAZMZSJ-UHFFFAOYSA-N 0 0 382.372 3.998 40 5 GHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000000754252 570312920 /nfs/dbraw/zinc/31/29/20/570312920.db2.gz PTCRQEKCTPNWBH-UHFFFAOYSA-N 0 0 382.441 3.986 40 5 GHBBRN O=C(NC(=S)Nc1ccccc1O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408625120 570376185 /nfs/dbraw/zinc/37/61/85/570376185.db2.gz WKMZCFKESXYLDJ-UHFFFAOYSA-N 0 0 383.385 3.687 40 5 GHBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(O)c1 ZINC000408625254 570387553 /nfs/dbraw/zinc/38/75/53/570387553.db2.gz XBERBJFDNSBUMG-UHFFFAOYSA-N 0 0 397.412 3.996 40 5 GHBBRN Cc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000006256788 570474268 /nfs/dbraw/zinc/47/42/68/570474268.db2.gz HGTZEXSOOLAYLJ-UHFFFAOYSA-N 0 0 382.401 3.685 40 5 GHBBRN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(Br)o1 ZINC000013924081 570740740 /nfs/dbraw/zinc/74/07/40/570740740.db2.gz PHJTYHXUTZYXII-POHAHGRESA-N 0 0 397.568 3.948 40 5 GHBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])ccc3OC)N21 ZINC000222655226 570750173 /nfs/dbraw/zinc/75/01/73/570750173.db2.gz QYCZXBPGYMDNDQ-OCBCSQNSSA-N 0 0 384.461 3.978 40 5 GHBBRN CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000005950758 570808214 /nfs/dbraw/zinc/80/82/14/570808214.db2.gz TTZARHCVISKIQK-UHFFFAOYSA-N 0 0 392.209 3.958 40 5 GHBBRN O=[N+]([O-])c1ccc(C(O)(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104058859 570894885 /nfs/dbraw/zinc/89/48/85/570894885.db2.gz 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3.774 40 5 GHBBRN COc1cc(OCC(=O)NCCSc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000066017470 900988215 /nfs/dbraw/zinc/98/82/15/900988215.db2.gz YQEZMNFPKWLHME-UHFFFAOYSA-N 0 0 396.852 3.544 40 5 GHBBRN CCOC(=O)C1CCN(C(=O)Nc2cc3ncccc3c3cccnc23)CC1 ZINC000006891686 917939661 /nfs/dbraw/zinc/93/96/61/917939661.db2.gz YPXLXXMZHBNGOZ-UHFFFAOYSA-N 0 0 378.432 3.590 40 5 GHBBRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008475632 921871048 /nfs/dbraw/zinc/87/10/48/921871048.db2.gz DHYUSBJUNSILTJ-UHFFFAOYSA-N 0 0 378.388 3.649 40 5 GHBBRN Nn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409092429 231157910 /nfs/dbraw/zinc/15/79/10/231157910.db2.gz XYZIRYACYFNOLE-UHFFFAOYSA-N 0 0 395.366 3.661 40 5 GHBBRN O=C1NC(=Cc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409174424 231174756 /nfs/dbraw/zinc/17/47/56/231174756.db2.gz SUNXTGLAXLQIPJ-NTUHNPAUSA-N 0 0 378.171 3.999 40 5 GHBBRN CC[C@H](C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000329062734 529702092 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GHBBRN O=C(Oc1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409180095 534570419 /nfs/dbraw/zinc/57/04/19/534570419.db2.gz WKWIRPDDJMYJRO-UHFFFAOYSA-N 0 0 383.381 3.647 40 5 GHBBRN O=C(CSc1nnc(COc2ccccc2F)o1)c1cccc([N+](=O)[O-])c1 ZINC000409386588 534677251 /nfs/dbraw/zinc/67/72/51/534677251.db2.gz VIIROFZFMILHOX-UHFFFAOYSA-N 0 0 389.364 3.671 40 5 GHBBRN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408643727 534818395 /nfs/dbraw/zinc/81/83/95/534818395.db2.gz RJLRFLCAAHNQKA-SNVBAGLBSA-N 0 0 394.214 3.893 40 5 GHBBRN COc1cc(Br)c(C[N@@+](C)([O-])CCc2ccc(O)cc2)cc1O ZINC000247923793 570228485 /nfs/dbraw/zinc/22/84/85/570228485.db2.gz CYABSRBQSSENLQ-IBGZPJMESA-N 0 0 382.254 3.556 40 5 GHBBRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(Cl)c2)c1 ZINC000005568779 570646115 /nfs/dbraw/zinc/64/61/15/570646115.db2.gz DICDPZMSNHWHJI-OAHLLOKOSA-N 0 0 384.866 3.685 40 5 GHBBRN O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 ZINC000005583919 570661922 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COc1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033750965 885577487 /nfs/dbraw/zinc/57/74/87/885577487.db2.gz ISVHCZNIAVKXQL-UHFFFAOYSA-N 0 0 397.412 3.990 40 5 GHBBRN Cc1cc(C(F)F)nc(SCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])o2)n1 ZINC000002806201 898145083 /nfs/dbraw/zinc/14/50/83/898145083.db2.gz KUJOZHOYEZCACT-HWKANZROSA-N 0 0 398.391 3.536 40 5 GHBBRN CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000328958472 898357286 /nfs/dbraw/zinc/35/72/86/898357286.db2.gz APBRCFMZEWDZCS-LBPRGKRZSA-N 0 0 398.854 3.898 40 5 GHBBRN COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000225305454 898687782 /nfs/dbraw/zinc/68/77/82/898687782.db2.gz JLVJMASADSNKEP-NYYWCZLTSA-N 0 0 382.401 3.774 40 5 GHBBRN Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000013211847 899101764 /nfs/dbraw/zinc/10/17/64/899101764.db2.gz NHNOPIDBCZBAKJ-UHFFFAOYSA-N 0 0 390.428 3.999 40 5 GHBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1Cl ZINC000007928484 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PWNWAEISUGOKOH-UHFFFAOYSA-N 0 0 398.488 3.939 40 5 GHBBRN CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1[N+](=O)[O-] ZINC000020142471 520917064 /nfs/dbraw/zinc/91/70/64/520917064.db2.gz OQUGNHNGSPNZCO-UHFFFAOYSA-N 0 0 382.372 3.998 40 5 GHBBRN O=c1nc(-c2cc3c(cc2[N+](=O)[O-])OCO3)[nH]c2sc3c(c21)CCCCC3 ZINC000408987700 534880350 /nfs/dbraw/zinc/88/03/50/534880350.db2.gz GJMYFJBZJOQWHX-UHFFFAOYSA-N 0 0 385.401 3.970 40 5 GHBBRN CCCOC(=O)c1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000408732316 528579712 /nfs/dbraw/zinc/57/97/12/528579712.db2.gz UJWSYCPHXGSFSC-BOPFTXTBSA-N 0 0 394.383 3.815 40 5 GHBBRN CCOc1ccccc1-c1nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000408528195 528700373 /nfs/dbraw/zinc/70/03/73/528700373.db2.gz UGGBPHZWRHEUCS-UHFFFAOYSA-N 0 0 387.377 3.838 40 5 GHBBRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])c(C)c3)nn12 ZINC000057313070 570356130 /nfs/dbraw/zinc/35/61/30/570356130.db2.gz JGYQEHFIMDHNCY-UHFFFAOYSA-N 0 0 394.416 3.630 40 5 GHBBRN 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395.459 3.882 40 5 GHBBRN Cc1cccn2c(C[NH+]3CCC(C(=O)[O-])CC3)c(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000002599740 206291695 /nfs/dbraw/zinc/29/16/95/206291695.db2.gz AUTGLURJJUQMSO-UHFFFAOYSA-N 0 0 394.431 3.515 40 5 GHBBRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001635318 206388775 /nfs/dbraw/zinc/38/87/75/206388775.db2.gz BMCHGTVACZAQDJ-UHFFFAOYSA-N 0 0 377.161 3.643 40 5 GHBBRN COc1ccc(Cc2nnc(SCc3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000019929159 207171584 /nfs/dbraw/zinc/17/15/84/207171584.db2.gz LJQFUYPCSCLYJC-UHFFFAOYSA-N 0 0 387.417 3.878 40 5 GHBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1 ZINC000003057458 208507201 /nfs/dbraw/zinc/50/72/01/208507201.db2.gz ABNMHKNTYXGUOX-GOSISDBHSA-N 0 0 390.395 3.844 40 5 GHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718431 534838413 /nfs/dbraw/zinc/83/84/13/534838413.db2.gz IQULYZCHPIAJAO-JTQLQIEISA-N 0 0 394.214 3.893 40 5 GHBBRN CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000014409829 570310729 /nfs/dbraw/zinc/31/07/29/570310729.db2.gz AVHRHAMHZPWYPH-UHFFFAOYSA-N 0 0 397.460 3.912 40 5 GHBBRN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000006316449 570376364 /nfs/dbraw/zinc/37/63/64/570376364.db2.gz ZHEBHKZYXUKMBV-UHFFFAOYSA-N 0 0 389.202 3.606 40 5 GHBBRN CCCCOC(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1 ZINC000006629064 570376970 /nfs/dbraw/zinc/37/69/70/570376970.db2.gz XGYGIVAJCGJJGR-UHFFFAOYSA-N 0 0 389.433 3.678 40 5 GHBBRN CC[C@]1(c2ccc(NSc3ccccc3[N+](=O)[O-])cc2)CCC(=O)NC1=O ZINC000005468344 570441190 /nfs/dbraw/zinc/44/11/90/570441190.db2.gz QIDNINWAPUIDMC-LJQANCHMSA-N 0 0 385.445 3.798 40 5 GHBBRN Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000006316373 570476850 /nfs/dbraw/zinc/47/68/50/570476850.db2.gz IPWDBCPDRVTNND-UHFFFAOYSA-N 0 0 376.312 3.603 40 5 GHBBRN COC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1 ZINC000005330504 570553082 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O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(COc2ccccc2F)o1 ZINC000409386779 231199619 /nfs/dbraw/zinc/19/96/19/231199619.db2.gz XPQCPQGZHVQAED-UHFFFAOYSA-N 0 0 375.337 3.660 40 5 GHBBRN COc1ccc(Nc2cc(-c3ccncc3)nc(NC(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000329029705 206241512 /nfs/dbraw/zinc/24/15/12/206241512.db2.gz QAIYMDMQZFLVPZ-UHFFFAOYSA-N 0 0 394.435 3.831 40 5 GHBBRN CC(C)(C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329041273 206242493 /nfs/dbraw/zinc/24/24/93/206242493.db2.gz SHMDYEOLIJHIHA-UHFFFAOYSA-N 0 0 382.399 3.962 40 5 GHBBRN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])ccc1Cl ZINC000032119222 207394848 /nfs/dbraw/zinc/39/48/48/207394848.db2.gz YOHNEECODHYHIN-UHFFFAOYSA-N 0 0 393.896 3.677 40 5 GHBBRN Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1C1CCCCC1 ZINC000006658423 208682632 /nfs/dbraw/zinc/68/26/32/208682632.db2.gz ASDATCVBKADONA-UHFFFAOYSA-N 0 0 375.454 3.502 40 5 GHBBRN CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222766829 208882978 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Cc1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 ZINC000003196987 570595975 /nfs/dbraw/zinc/59/59/75/570595975.db2.gz QDHLBRHTTWOCTG-UHFFFAOYSA-N 0 0 386.363 3.935 40 5 GHBBRN Cc1ccc(-c2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n[nH]2)cc1 ZINC000005865918 570735431 /nfs/dbraw/zinc/73/54/31/570735431.db2.gz ZTNUHRRWIZMYKG-UHFFFAOYSA-N 0 0 383.433 3.728 40 5 GHBBRN O=C(Nc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000015010801 570805799 /nfs/dbraw/zinc/80/57/99/570805799.db2.gz NUWXPWXHTSXSCC-UHFFFAOYSA-N 0 0 396.230 3.991 40 5 GHBBRN Cc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1[N+](=O)[O-] ZINC000017077929 570926518 /nfs/dbraw/zinc/92/65/18/570926518.db2.gz ZNXKCEBTXBBYMJ-UHFFFAOYSA-N 0 0 381.413 3.889 40 5 GHBBRN CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224790114 570970760 /nfs/dbraw/zinc/97/07/60/570970760.db2.gz YGXXLABNDNWMJZ-UHFFFAOYSA-N 0 0 378.450 3.906 40 5 GHBBRN Cc1ccc2nsnc2c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000057315669 861955872 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384.417 3.614 40 5 GHBBRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000020763668 230906422 /nfs/dbraw/zinc/90/64/22/230906422.db2.gz GHWPKMSOOPTEQY-UHFFFAOYSA-N 0 0 389.824 3.764 40 5 GHBBRN COc1cc(CO)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409122548 231166957 /nfs/dbraw/zinc/16/69/57/231166957.db2.gz ZKSLLBSMDVKJAJ-UHFFFAOYSA-N 0 0 399.153 3.559 40 5 GHBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000409153523 231171860 /nfs/dbraw/zinc/17/18/60/231171860.db2.gz DFRUKTVBJNEBMH-MHWRWJLKSA-N 0 0 397.412 3.578 40 5 GHBBRN CCc1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000408628419 529600377 /nfs/dbraw/zinc/60/03/77/529600377.db2.gz STZRSIDFWPWMQR-UHFFFAOYSA-N 0 0 398.488 3.884 40 5 GHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)/C(Br)=C/c1ccccc1 ZINC000004387958 209119078 /nfs/dbraw/zinc/11/90/78/209119078.db2.gz USLSAMSHXZGTKZ-LCYFTJDESA-N 0 0 377.194 3.978 40 5 GHBBRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccn2)n1 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390.399 3.510 40 5 GHBBRN COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2 ZINC000001940300 570450449 /nfs/dbraw/zinc/45/04/49/570450449.db2.gz UWPHADPDEFSRHY-UHFFFAOYSA-N 0 0 380.809 3.837 40 5 GHBBRN COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(Br)cc3)oc21 ZINC000073641749 570663802 /nfs/dbraw/zinc/66/38/02/570663802.db2.gz QBRUEBOONSOYOH-UHFFFAOYSA-N 0 0 377.150 3.952 40 5 GHBBRN O=[N+]([O-])c1ccc(/C=C/c2nn3c(CN4CCCCCC4)nnc3s2)cc1 ZINC000071260616 570673419 /nfs/dbraw/zinc/67/34/19/570673419.db2.gz ILLRZRIXWQKBMV-JXMROGBWSA-N 0 0 384.465 3.640 40 5 GHBBRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000052410710 570747757 /nfs/dbraw/zinc/74/77/57/570747757.db2.gz ANMZYNPNKMUTSK-UHFFFAOYSA-N 0 0 377.784 3.858 40 5 GHBBRN O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205658720 570756027 /nfs/dbraw/zinc/75/60/27/570756027.db2.gz AJPAQLMTDIJCCN-LZYBPNLTSA-N 0 0 384.369 3.560 40 5 GHBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Cl ZINC000017080293 570926554 /nfs/dbraw/zinc/92/65/54/570926554.db2.gz BCZYSNBTYZMFOE-UHFFFAOYSA-N 0 0 392.849 3.985 40 5 GHBBRN COc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc32)cc1[N+](=O)[O-] ZINC000059294214 862850988 /nfs/dbraw/zinc/85/09/88/862850988.db2.gz SSOTWSVZKQKXNC-UHFFFAOYSA-N 0 0 396.428 3.587 40 5 GHBBRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000020410856 860566015 /nfs/dbraw/zinc/56/60/15/860566015.db2.gz HFHVMROGPNFWQZ-HNNXBMFYSA-N 0 0 399.447 3.861 40 5 GHBBRN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2cccn2-c2cc3c(cc21)OCCO3 ZINC000225381011 898711457 /nfs/dbraw/zinc/71/14/57/898711457.db2.gz NTIMXHAUHUDKIN-HNNXBMFYSA-N 0 0 376.368 3.875 40 5 GHBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000408624015 231085217 /nfs/dbraw/zinc/08/52/17/231085217.db2.gz ALPJTAAICKEPCR-UHFFFAOYSA-N 0 0 384.461 3.630 40 5 GHBBRN O=[N+]([O-])c1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)cc1 ZINC000329031208 206242178 /nfs/dbraw/zinc/24/21/78/206242178.db2.gz QHODRBQVDDXALT-UHFFFAOYSA-N 0 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ZINC000222799114 208884350 /nfs/dbraw/zinc/88/43/50/208884350.db2.gz TXFQLNPRXBVWBI-RBUKOAKNSA-N 0 0 393.472 3.773 40 5 GHBBRN COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OC ZINC000408621059 533557517 /nfs/dbraw/zinc/55/75/17/533557517.db2.gz NNGHXIOOAXNKNN-UHFFFAOYSA-N 0 0 395.209 3.935 40 5 GHBBRN Cc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000014009705 534600086 /nfs/dbraw/zinc/60/00/86/534600086.db2.gz QHLNJHKHKGYNDK-UHFFFAOYSA-N 0 0 394.250 3.793 40 5 GHBBRN O=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3F)o2)c([N+](=O)[O-])c1 ZINC000409384994 534883331 /nfs/dbraw/zinc/88/33/31/534883331.db2.gz HDXUUEDJYLKQIH-UHFFFAOYSA-N 0 0 392.324 3.755 40 5 GHBBRN CC(C)COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000020410859 535218391 /nfs/dbraw/zinc/21/83/91/535218391.db2.gz GBSPIYPMTHPJSX-UHFFFAOYSA-N 0 0 399.447 3.719 40 5 GHBBRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000023379309 570322073 /nfs/dbraw/zinc/32/20/73/570322073.db2.gz XCESJWALVGXNBD-QPJJXVBHSA-N 0 0 385.851 3.719 40 5 GHBBRN CCOC(=O)c1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 ZINC000004852806 570346725 /nfs/dbraw/zinc/34/67/25/570346725.db2.gz IVUORUUJBHGWRD-JXFKEZNVSA-N 0 0 397.387 3.541 40 5 GHBBRN O=C(NC(=S)Nc1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000408621678 570387575 /nfs/dbraw/zinc/38/75/75/570387575.db2.gz NETZJUMXVOWXQZ-UHFFFAOYSA-N 0 0 384.461 3.712 40 5 GHBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000000849505 570480747 /nfs/dbraw/zinc/48/07/47/570480747.db2.gz FHHHSJSVFJCQNL-UHFFFAOYSA-N 0 0 384.417 3.992 40 5 GHBBRN O=C(Nc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 ZINC000000850965 570662317 /nfs/dbraw/zinc/66/23/17/570662317.db2.gz FLQGFCCKVBSYPN-LGMDPLHJSA-N 0 0 377.356 3.597 40 5 GHBBRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccc([N+](=O)[O-])c1 ZINC000006882746 570673831 /nfs/dbraw/zinc/67/38/31/570673831.db2.gz PVHXZMMVIVZBBO-UHFFFAOYSA-N 0 0 392.849 3.985 40 5 GHBBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c([N+](=O)[O-])c3)N21 ZINC000222655145 570750203 /nfs/dbraw/zinc/75/02/03/570750203.db2.gz MZMYRNYFBHJLEY-MORSLUCNSA-N 0 0 384.461 3.978 40 5 GHBBRN COc1ccc(C=C2SC(=O)NC2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001100285 570753353 /nfs/dbraw/zinc/75/33/53/570753353.db2.gz FIRQNQIDOJIHHX-CXUHLZMHSA-N 0 0 386.385 3.506 40 5 GHBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000214764220 570903669 /nfs/dbraw/zinc/90/36/69/570903669.db2.gz XXBVHDXOPLSZGI-MHWRWJLKSA-N 0 0 397.412 3.578 40 5 GHBBRN CCOc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] ZINC000017079238 570927043 /nfs/dbraw/zinc/92/70/43/570927043.db2.gz XKDKIHUBAUYMKD-UHFFFAOYSA-N 0 0 388.361 3.764 40 5 GHBBRN Cc1ccc(-c2noc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000007759341 571031684 /nfs/dbraw/zinc/03/16/84/571031684.db2.gz KWDKZTZHZMIXTM-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN CCn1c2ccccc2n2c(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)nnc12 ZINC000033373698 571049024 /nfs/dbraw/zinc/04/90/24/571049024.db2.gz FVSHEJLUSHUBDY-UHFFFAOYSA-N 0 0 393.432 3.781 40 5 GHBBRN CCc1nn2c(nnc(-c3ccc([N+](=O)[O-])cc3)c2N)c1-c1ccc(F)cc1 ZINC000009939229 858071699 /nfs/dbraw/zinc/07/16/99/858071699.db2.gz NZNZKPGXILQDSD-UHFFFAOYSA-N 0 0 378.367 3.650 40 5 GHBBRN COc1ccc(C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000012652739 859493006 /nfs/dbraw/zinc/49/30/06/859493006.db2.gz KPBRUQVVGZWXMK-SIIHOXLZSA-N 0 0 393.436 3.764 40 5 GHBBRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2ccc3nc4ccccc4nc3c2)C1 ZINC000033747530 885578234 /nfs/dbraw/zinc/57/82/34/885578234.db2.gz UXHRJRDMVANVJY-KRWDZBQOSA-N 0 0 390.487 3.504 40 5 GHBBRN CCOC(=O)N[C@H](CC(=O)Nc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000006154569 916511273 /nfs/dbraw/zinc/51/12/73/916511273.db2.gz HUNKPVMITZNFKY-CQSZACIVSA-N 0 0 375.356 3.550 40 5 GHBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000408566634 231064276 /nfs/dbraw/zinc/06/42/76/231064276.db2.gz FUONKNICCQEVKR-MRXNPFEDSA-N 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ZINC000408621157 533406595 /nfs/dbraw/zinc/40/65/95/533406595.db2.gz LGBMZUJBYHGKNP-UHFFFAOYSA-N 0 0 379.825 3.692 40 5 GHBBRN COc1ccccc1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000408628016 533968646 /nfs/dbraw/zinc/96/86/46/533968646.db2.gz PMEFMNSSMLHKDB-UHFFFAOYSA-N 0 0 379.825 3.692 40 5 GHBBRN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1 ZINC000006226091 570343344 /nfs/dbraw/zinc/34/33/44/570343344.db2.gz CBUBESHFBZSZDA-UHFFFAOYSA-N 0 0 398.444 3.857 40 5 GHBBRN COc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c(OC)c1 ZINC000000829673 570374740 /nfs/dbraw/zinc/37/47/40/570374740.db2.gz WUZNKPVYYLRRQI-AUWJEWJLSA-N 0 0 388.763 3.610 40 5 GHBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000408576695 570384264 /nfs/dbraw/zinc/38/42/64/570384264.db2.gz YCDPGAOWYBALNK-KRWDZBQOSA-N 0 0 388.424 3.834 40 5 GHBBRN Cc1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(-c3ccccc3O)n2)cc1[N+](=O)[O-] ZINC000004891218 570644068 /nfs/dbraw/zinc/64/40/68/570644068.db2.gz CXXAAZBFDNGQBF-LLVKDONJSA-N 0 0 399.432 3.513 40 5 GHBBRN CCOc1ccc(NC(=S)NC(=O)C=Cc2cccs2)c([N+](=O)[O-])c1 ZINC000005006186 570652983 /nfs/dbraw/zinc/65/29/83/570652983.db2.gz RMSKAFWMJOPFJS-SOFGYWHQSA-N 0 0 377.447 3.581 40 5 GHBBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000222799317 570755007 /nfs/dbraw/zinc/75/50/07/570755007.db2.gz JLCSQRWCZVYNHI-MOPGFXCFSA-N 0 0 393.472 3.773 40 5 GHBBRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c1 ZINC000005867250 570798185 /nfs/dbraw/zinc/79/81/85/570798185.db2.gz AMCCWAPTYAPWTQ-UHFFFAOYSA-N 0 0 384.417 3.992 40 5 GHBBRN Cc1ccc(C2=N/C(=C\C=C\c3ccccc3[N+](=O)[O-])C(=O)O2)cc1[N+](=O)[O-] ZINC000004696726 570836804 /nfs/dbraw/zinc/83/68/04/570836804.db2.gz YWADTJNGTZWETM-QPTIXVFQSA-N 0 0 379.328 3.712 40 5 GHBBRN O=C(/C=C/c1ccccc1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017078445 570926583 /nfs/dbraw/zinc/92/65/83/570926583.db2.gz JSPGFAPQSQVVNK-RMKNXTFCSA-N 0 0 384.442 3.731 40 5 GHBBRN O=[N+]([O-])c1cccc(-c2n[nH]c(CCNc3cccc(Br)c3)n2)c1 ZINC000064873670 857308030 /nfs/dbraw/zinc/30/80/30/857308030.db2.gz RWJSNXAVNQFXOB-UHFFFAOYSA-N 0 0 388.225 3.797 40 5 GHBBRN COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1OC(C)C ZINC000010542674 858374724 /nfs/dbraw/zinc/37/47/24/858374724.db2.gz NXUMHAGVTPYKRO-UHFFFAOYSA-N 0 0 378.812 3.974 40 5 GHBBRN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000218121786 895047151 /nfs/dbraw/zinc/04/71/51/895047151.db2.gz GZZRFGVTQNIWMG-INIZCTEOSA-N 0 0 396.852 3.533 40 5 GHBBRN CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(C)c1-c1ccc(OC)cc1 ZINC000008080462 921145056 /nfs/dbraw/zinc/14/50/56/921145056.db2.gz ZZBZEIRTYDYZBV-MRCUWXFGSA-N 0 0 397.456 3.974 40 5 GHBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Br)cc1Cl ZINC000006495577 917078851 /nfs/dbraw/zinc/07/88/51/917078851.db2.gz CFKWJSUJQPCSMR-UHFFFAOYSA-N 0 0 381.569 3.811 40 5 GHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000007882035 920403163 /nfs/dbraw/zinc/40/31/63/920403163.db2.gz BJYUDHJOCNKTMJ-SNVBAGLBSA-N 0 0 394.214 3.893 40 5 GHBBRN Cc1cccc(OC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000409182360 231175230 /nfs/dbraw/zinc/17/52/30/231175230.db2.gz KQOKTLMOOPTBGS-UHFFFAOYSA-N 0 0 397.408 3.955 40 5 GHBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(C)c1-c1ccc(OC)cc1 ZINC000409198768 231178631 /nfs/dbraw/zinc/17/86/31/231178631.db2.gz KQVKWRHUVQYPDS-MRCUWXFGSA-N 0 0 397.456 3.974 40 5 GHBBRN O=C1N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1 ZINC000409196826 231178661 /nfs/dbraw/zinc/17/86/61/231178661.db2.gz RJJMVJSGNCMGBH-LDADJPATSA-N 0 0 389.367 3.948 40 5 GHBBRN CC[C@@H](C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000006938340 529430028 /nfs/dbraw/zinc/43/00/28/529430028.db2.gz QCVULHIPNLKAFL-QGZVFWFLSA-N 0 0 397.475 3.836 40 5 GHBBRN CC(C)(C)COC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000005379604 209590954 /nfs/dbraw/zinc/59/09/54/209590954.db2.gz KRKAIKWYXZKJDH-UHFFFAOYSA-N 0 0 384.344 3.917 40 5 GHBBRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000004979691 209554639 /nfs/dbraw/zinc/55/46/39/209554639.db2.gz UDDSAOHHBQLLFQ-RLFYNMQTSA-N 0 0 393.436 3.521 40 5 GHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000148519362 211498716 /nfs/dbraw/zinc/49/87/16/211498716.db2.gz UBKILSLJSBBVAC-UHFFFAOYSA-N 0 0 380.404 3.717 40 5 GHBBRN COc1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(C)C ZINC000010542673 533865586 /nfs/dbraw/zinc/86/55/86/533865586.db2.gz FVSKMBDJMCHWDK-UHFFFAOYSA-N 0 0 378.812 3.974 40 5 GHBBRN COc1ccc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000408628752 534181135 /nfs/dbraw/zinc/18/11/35/534181135.db2.gz WZPXKADCINJLPX-UHFFFAOYSA-N 0 0 379.825 3.692 40 5 GHBBRN O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000017080770 534386180 /nfs/dbraw/zinc/38/61/80/534386180.db2.gz HPWAFBZCLYHOIL-UHFFFAOYSA-N 0 0 395.337 3.703 40 5 GHBBRN COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000408627710 570387875 /nfs/dbraw/zinc/38/78/75/570387875.db2.gz NEPYZZDJWMWERX-UHFFFAOYSA-N 0 0 389.839 3.528 40 5 GHBBRN O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])cn2)n1-c1ccccc1 ZINC000024217784 570401449 /nfs/dbraw/zinc/40/14/49/570401449.db2.gz VSGOBPNJUSCTLP-UHFFFAOYSA-N 0 0 376.397 3.840 40 5 GHBBRN O=c1c2ccccc2nc(Sc2ncccc2[N+](=O)[O-])n1-c1ccccc1 ZINC000025369501 570417978 /nfs/dbraw/zinc/41/79/78/570417978.db2.gz KZWROPJVTLZJOH-UHFFFAOYSA-N 0 0 376.397 3.840 40 5 GHBBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc([N+](=O)[O-])ccc3OC)N21 ZINC000222655423 570750282 /nfs/dbraw/zinc/75/02/82/570750282.db2.gz QYCZXBPGYMDNDQ-JBBXEZCESA-N 0 0 384.461 3.978 40 5 GHBBRN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cccc1[N+](=O)[O-] ZINC000004524247 570841259 /nfs/dbraw/zinc/84/12/59/570841259.db2.gz UURIOZDYKBFWJP-UHFFFAOYSA-N 0 0 380.154 3.826 40 5 GHBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccco1 ZINC000015409139 570933967 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GHBBRN Cc1csc2[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc(=O)c12 ZINC000408595454 231073390 /nfs/dbraw/zinc/07/33/90/231073390.db2.gz IWEGFSDIBUCYQT-UHFFFAOYSA-N 0 0 390.446 3.653 40 5 GHBBRN Cc1c(F)cccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000409165553 231173758 /nfs/dbraw/zinc/17/37/58/231173758.db2.gz ZKTGURJTTGQOSG-UHFFFAOYSA-N 0 0 388.380 3.823 40 5 GHBBRN COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccccc1Br ZINC000000949369 209282424 /nfs/dbraw/zinc/28/24/24/209282424.db2.gz GNOJOLFROGXMHS-CMDGGOBGSA-N 0 0 378.178 3.924 40 5 GHBBRN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000009198287 209250069 /nfs/dbraw/zinc/25/00/69/209250069.db2.gz NOFVLRRMUVJFKH-UHFFFAOYSA-N 0 0 389.824 3.764 40 5 GHBBRN COc1ccc([C@H](C)NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)cc1 ZINC000002796447 212062573 /nfs/dbraw/zinc/06/25/73/212062573.db2.gz TTWUWIJAUOPSQK-HNNXBMFYSA-N 0 0 394.431 3.648 40 5 GHBBRN COc1cc2nc3ccc(NC(=S)NCc4ccco4)cc3nc2cc1OC ZINC000408998000 533179580 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OGCNOBQSOCWEJS-UHFFFAOYSA-N 0 0 382.372 3.916 40 5 GHBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCC(=O)OC ZINC000408542390 528194522 /nfs/dbraw/zinc/19/45/22/528194522.db2.gz IXTQUZCIVCEZLT-AATRIKPKSA-N 0 0 396.783 3.666 40 5 GHBBRN CCOc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000408537829 528199992 /nfs/dbraw/zinc/19/99/92/528199992.db2.gz XNHJFKJTWVHXRF-UVCZLPLXSA-N 0 0 384.344 3.860 40 5 GHBBRN COc1cc(OCC(=O)NCCCc2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000219830208 570227628 /nfs/dbraw/zinc/22/76/28/570227628.db2.gz UGBOYZVBJXRUKG-UHFFFAOYSA-N 0 0 386.448 3.855 40 5 GHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000000805467 570342122 /nfs/dbraw/zinc/34/21/22/570342122.db2.gz DHNHJAZXJACAIW-UHFFFAOYSA-N 0 0 397.412 3.648 40 5 GHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000224154404 570425185 /nfs/dbraw/zinc/42/51/85/570425185.db2.gz QNBPSRCWKSHTJH-UHFFFAOYSA-N 0 0 392.477 3.558 40 5 GHBBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000222799384 570755036 /nfs/dbraw/zinc/75/50/36/570755036.db2.gz JLCSQRWCZVYNHI-RBUKOAKNSA-N 0 0 393.472 3.773 40 5 GHBBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000222799444 570755119 /nfs/dbraw/zinc/75/51/19/570755119.db2.gz JLCSQRWCZVYNHI-RTBURBONSA-N 0 0 393.472 3.773 40 5 GHBBRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000224683912 570942086 /nfs/dbraw/zinc/94/20/86/570942086.db2.gz RDZKNEMSYHCOIR-QGZVFWFLSA-N 0 0 390.461 3.956 40 5 GHBBRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000218126183 895054087 /nfs/dbraw/zinc/05/40/87/895054087.db2.gz PCQHDGMHQYZBJO-MRXNPFEDSA-N 0 0 396.852 3.533 40 5 GHBBRN CCN(c1ccc(Br)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224998974 898571456 /nfs/dbraw/zinc/57/14/56/898571456.db2.gz PNXBTVLMYWITMT-UHFFFAOYSA-N 0 0 385.239 3.573 40 5 GHBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000008433649 921805948 /nfs/dbraw/zinc/80/59/48/921805948.db2.gz HOKMJGKUXKFNOY-UHFFFAOYSA-N 0 0 399.186 3.706 40 5 GHBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1[N+](=O)[O-] ZINC000008811256 922327556 /nfs/dbraw/zinc/32/75/56/922327556.db2.gz AAYPDVCJLYYVJN-UHFFFAOYSA-N 0 0 388.380 3.823 40 5 GHBBRN Cc1csc2[nH]c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nc(=O)c12 ZINC000408595317 231072680 /nfs/dbraw/zinc/07/26/80/231072680.db2.gz GVJMFPIBSXKPST-UHFFFAOYSA-N 0 0 390.446 3.653 40 5 GHBBRN CC(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624553 209232917 /nfs/dbraw/zinc/23/29/17/209232917.db2.gz YVDCKTSEMRWXNJ-CQSZACIVSA-N 0 0 399.450 3.884 40 5 biogenic GHBBRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000222757839 211810576 /nfs/dbraw/zinc/81/05/76/211810576.db2.gz DOCAOIJOUBPSOU-ROUUACIJSA-N 0 0 380.429 3.852 40 5 GHBBRN CCC(=O)Nc1cc(OC)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000016609872 211216519 /nfs/dbraw/zinc/21/65/19/211216519.db2.gz TVDJGBNLVAYOCU-UHFFFAOYSA-N 0 0 392.795 3.962 40 5 GHBBRN O=C(COc1ccccc1)Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl ZINC000072229614 211084101 /nfs/dbraw/zinc/08/41/01/211084101.db2.gz NVRIIPFPGFIUHD-UHFFFAOYSA-N 0 0 375.812 3.866 40 5 GHBBRN CC(C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 ZINC000020611861 210352332 /nfs/dbraw/zinc/35/23/32/210352332.db2.gz SBBQYGFUPSPJEU-UHFFFAOYSA-N 0 0 399.447 3.572 40 5 GHBBRN CCOc1ccc(-c2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000020496027 210341015 /nfs/dbraw/zinc/34/10/15/210341015.db2.gz YBZJEXNXVTUQNL-LFYBBSHMSA-N 0 0 380.360 3.695 40 5 GHBBRN CCOc1ccccc1-c1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)o1 ZINC000019927207 210309321 /nfs/dbraw/zinc/30/93/21/210309321.db2.gz NYQMTQDXKBUBQL-FMIVXFBMSA-N 0 0 380.360 3.695 40 5 GHBBRN O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000072229366 136167697 /nfs/dbraw/zinc/16/76/97/136167697.db2.gz YNIYNDZCPHWBMF-UHFFFAOYSA-N 0 0 396.230 3.991 40 5 GHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2ccccc2C)n1 ZINC000033635453 570390376 /nfs/dbraw/zinc/39/03/76/570390376.db2.gz WDQWORDJNMYNDR-UHFFFAOYSA-N 0 0 383.433 3.728 40 5 GHBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 ZINC000006478266 570444136 /nfs/dbraw/zinc/44/41/36/570444136.db2.gz OSQVQHOFPAWLPJ-UHFFFAOYSA-N 0 0 394.416 3.630 40 5 GHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000194639086 571014204 /nfs/dbraw/zinc/01/42/04/571014204.db2.gz NHDFCJHHVFIQOY-UHFFFAOYSA-N 0 0 383.429 3.523 40 5 GHBBRN O=C(Nc1ccccc1)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 ZINC000028048285 861240359 /nfs/dbraw/zinc/24/03/59/861240359.db2.gz FAVUFLNLCTZHNP-GHRIWEEISA-N 0 0 377.356 3.597 40 5 GHBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000214238127 855108465 /nfs/dbraw/zinc/10/84/65/855108465.db2.gz NMQPIGMYYQFYOD-CXUHLZMHSA-N 0 0 388.376 3.979 40 5 GHBBRN CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225020743 898582491 /nfs/dbraw/zinc/58/24/91/898582491.db2.gz SVPDXZFZYHVILV-UHFFFAOYSA-N 0 0 385.239 3.573 40 5 GHBBRN O=C(c1ccccc1)[C@H]1[C@H](c2ccco2)C([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 ZINC000009301111 898664758 /nfs/dbraw/zinc/66/47/58/898664758.db2.gz GYTQWQDOZABPNL-MXEMCNAFSA-N 0 0 387.395 3.664 40 5 GHBBRN Cc1ccc2ccc(OC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)cc2n1 ZINC000011565642 898800016 /nfs/dbraw/zinc/80/00/16/898800016.db2.gz XFDZCMXIWRIVQP-UHFFFAOYSA-N 0 0 376.324 3.777 40 5 GHBBRN O=C(Nc1ccccc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006597734 917260261 /nfs/dbraw/zinc/26/02/61/917260261.db2.gz RLASLENQJFHORK-UHFFFAOYSA-N 0 0 382.397 3.680 40 5 GHBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)n1-c1ccc(C)cc1 ZINC000408565676 231063910 /nfs/dbraw/zinc/06/39/10/231063910.db2.gz CSRXULNBMQMEEM-GOSISDBHSA-N 0 0 398.444 3.723 40 5 GHBBRN Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000409051517 231151217 /nfs/dbraw/zinc/15/12/17/231151217.db2.gz DPSYHPPLNLSFDE-UHFFFAOYSA-N 0 0 381.432 3.703 40 5 GHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C(Br)=C/c1ccccc1 ZINC000000955906 209283338 /nfs/dbraw/zinc/28/33/38/209283338.db2.gz RGXKZFGZVXIEPW-LCYFTJDESA-N 0 0 377.194 3.978 40 5 GHBBRN CC(C)[C@H](CO)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccn2)n1 ZINC000329069780 209159112 /nfs/dbraw/zinc/15/91/12/209159112.db2.gz ZAVGLHYPTRILIN-SFHVURJKSA-N 0 0 394.435 3.619 40 5 GHBBRN CC(C)(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000329055424 209160195 /nfs/dbraw/zinc/16/01/95/209160195.db2.gz VNYKPKTZGFMDKS-UHFFFAOYSA-N 0 0 378.436 3.691 40 5 GHBBRN CC(C)(C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccn2)n1 ZINC000329025664 209157812 /nfs/dbraw/zinc/15/78/12/209157812.db2.gz PHNYETDXZVTRIJ-UHFFFAOYSA-N 0 0 378.436 3.691 40 5 GHBBRN CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000328958471 209154131 /nfs/dbraw/zinc/15/41/31/209154131.db2.gz APBRCFMZEWDZCS-GFCCVEGCSA-N 0 0 398.854 3.898 40 5 GHBBRN CC[C@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2ccccn2)n1 ZINC000328969372 209153436 /nfs/dbraw/zinc/15/34/36/209153436.db2.gz DDRARZCOLOGLFL-ZDUSSCGKSA-N 0 0 378.436 3.553 40 5 GHBBRN CCCCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 ZINC000020611743 210352277 /nfs/dbraw/zinc/35/22/77/210352277.db2.gz ZMBKMRHSGWEGEW-UHFFFAOYSA-N 0 0 399.447 3.863 40 5 GHBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000020144844 210319512 /nfs/dbraw/zinc/31/95/12/210319512.db2.gz NSSMGOHZQACGTN-UHFFFAOYSA-N 0 0 382.372 3.673 40 5 GHBBRN C[C@H]1S[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(Cl)cc2)C1=O ZINC000005759333 220898180 /nfs/dbraw/zinc/89/81/80/220898180.db2.gz NCYLDWWWWRCQQZ-VVVCHXIZSA-N 0 0 389.820 3.522 40 5 GHBBRN COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OC ZINC000408616954 533557880 /nfs/dbraw/zinc/55/78/80/533557880.db2.gz AUNOMPGYNZSXHM-UHFFFAOYSA-N 0 0 395.209 3.935 40 5 GHBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000020410752 136202606 /nfs/dbraw/zinc/20/26/06/136202606.db2.gz NYSQAUIBJWFIIX-UHFFFAOYSA-N 0 0 396.230 3.991 40 5 GHBBRN CC(=O)Oc1cccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000008179683 527119694 /nfs/dbraw/zinc/11/96/94/527119694.db2.gz VIKIDKPVNNMZOB-NVNXTCNLSA-N 0 0 386.747 3.518 40 5 GHBBRN CCCN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000409237657 528174980 /nfs/dbraw/zinc/17/49/80/528174980.db2.gz AWFPIXAIDXGCCD-NTEUORMPSA-N 0 0 375.768 3.811 40 5 GHBBRN CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000408628783 528313761 /nfs/dbraw/zinc/31/37/61/528313761.db2.gz XNRKHDGVURKRLA-UHFFFAOYSA-N 0 0 386.477 3.876 40 5 GHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCOc1ccc(Cl)cc1 ZINC000223407528 570242934 /nfs/dbraw/zinc/24/29/34/570242934.db2.gz JKGWFEBPVDAPSN-UHFFFAOYSA-N 0 0 380.853 3.677 40 5 GHBBRN Cc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(-c3ccccc3O)n2)cc1[N+](=O)[O-] ZINC000004891221 570357071 /nfs/dbraw/zinc/35/70/71/570357071.db2.gz CXXAAZBFDNGQBF-NSHDSACASA-N 0 0 399.432 3.513 40 5 GHBBRN COc1cc2sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)nc2cc1Cl ZINC000006441324 570423451 /nfs/dbraw/zinc/42/34/51/570423451.db2.gz SAIZXLPCUDRLMZ-UHFFFAOYSA-N 0 0 393.808 3.884 40 5 GHBBRN CC(C)C(=O)Nc1cccc(NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000005841626 570458675 /nfs/dbraw/zinc/45/86/75/570458675.db2.gz HWLOWARKTSQMAU-UHFFFAOYSA-N 0 0 391.811 3.860 40 5 GHBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C(N)=O)C1 ZINC000020461307 861801638 /nfs/dbraw/zinc/80/16/38/861801638.db2.gz QJMBFLLSONDNLC-VIFPVBQESA-N 0 0 391.449 3.752 40 5 GHBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(OCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000008560736 856259062 /nfs/dbraw/zinc/25/90/62/856259062.db2.gz QLSTUCUROTVMGM-UHFFFAOYSA-N 0 0 389.364 3.799 40 5 GHBBRN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000328955123 898357768 /nfs/dbraw/zinc/35/77/68/898357768.db2.gz AADJWYNZBLLZJE-HNNXBMFYSA-N 0 0 391.859 3.510 40 5 GHBBRN O=[N+]([O-])c1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)cc1 ZINC000329051965 898369717 /nfs/dbraw/zinc/36/97/17/898369717.db2.gz VARCAPMVRYGUKK-UHFFFAOYSA-N 0 0 376.420 3.967 40 5 GHBBRN CCOC(=O)C1(c2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 ZINC000225990088 898831830 /nfs/dbraw/zinc/83/18/30/898831830.db2.gz PSIURCDLPWWITK-UHFFFAOYSA-N 0 0 394.427 3.860 40 5 GHBBRN COc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)c(Cl)c1Cl ZINC000132353614 903242464 /nfs/dbraw/zinc/24/24/64/903242464.db2.gz NBRUXKDUJSSWGN-UHFFFAOYSA-N 0 0 391.232 3.735 40 5 GHBBRN Cc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000010543260 230875482 /nfs/dbraw/zinc/87/54/82/230875482.db2.gz LAHCDFXHNNFHRZ-UHFFFAOYSA-N 0 0 392.477 3.602 40 5 GHBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000103717978 231014116 /nfs/dbraw/zinc/01/41/16/231014116.db2.gz AEJJZGAKLXTQCM-JTQLQIEISA-N 0 0 394.214 3.893 40 5 GHBBRN O=[N+]([O-])c1ccccc1[C@H]1Nc2ccccc2S(=O)(=O)N1Cc1ccccc1 ZINC000409133059 231168843 /nfs/dbraw/zinc/16/88/43/231168843.db2.gz MEVBVRTWAQJZCV-FQEVSTJZSA-N 0 0 395.440 3.910 40 5 GHBBRN Cc1cccc(COc2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)cc2)c1 ZINC000409338598 231191415 /nfs/dbraw/zinc/19/14/15/231191415.db2.gz MTFPCONJVRSABU-YFHOEESVSA-N 0 0 379.372 3.854 40 5 GHBBRN O=C1NC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 ZINC000013546663 210066302 /nfs/dbraw/zinc/06/63/02/210066302.db2.gz QQAPUEBVWSGAMA-FOWTUZBSSA-N 0 0 375.340 3.952 40 5 GHBBRN O=[N+]([O-])c1ccc(Oc2nc(Cl)nc(Oc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000001657289 209335625 /nfs/dbraw/zinc/33/56/25/209335625.db2.gz OJUHIQOXFYMCSH-UHFFFAOYSA-N 0 0 389.711 3.926 40 5 GHBBRN CC[C@@H](C)Nc1nc(Nc2ccc(OC)cc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000329070019 209158971 /nfs/dbraw/zinc/15/89/71/209158971.db2.gz ZCWFZXLMIUQKFT-CQSZACIVSA-N 0 0 393.447 3.858 40 5 GHBBRN CC[C@H](C)Nc1nc(Nc2ccc(OC)cc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000329070018 209160161 /nfs/dbraw/zinc/16/01/61/209160161.db2.gz ZCWFZXLMIUQKFT-AWEZNQCLSA-N 0 0 393.447 3.858 40 5 GHBBRN O=[N+]([O-])c1ccc(CNc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cc1 ZINC000328994483 209156401 /nfs/dbraw/zinc/15/64/01/209156401.db2.gz JEMFHOUIPQFGAI-UHFFFAOYSA-N 0 0 395.385 3.604 40 5 GHBBRN O=[N+]([O-])c1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCC3)n2)cc1 ZINC000328978770 209154665 /nfs/dbraw/zinc/15/46/65/209154665.db2.gz GARUGZPZCVKOEB-UHFFFAOYSA-N 0 0 376.420 3.967 40 5 GHBBRN Cc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000223976291 211849739 /nfs/dbraw/zinc/84/97/39/211849739.db2.gz MHVKIXHCVNKEPR-UHFFFAOYSA-N 0 0 392.477 3.558 40 5 GHBBRN Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000226768223 211483541 /nfs/dbraw/zinc/48/35/41/211483541.db2.gz YZQIBTVSHJBLCQ-UHFFFAOYSA-N 0 0 389.367 3.905 40 5 GHBBRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000000853501 211493009 /nfs/dbraw/zinc/49/30/09/211493009.db2.gz SXUQLOQKPJOQDE-UHFFFAOYSA-N 0 0 384.417 3.992 40 5 GHBBRN O=C(NCCSc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000020014152 210310899 /nfs/dbraw/zinc/31/08/99/210310899.db2.gz SUOLDOLCHDWABQ-UHFFFAOYSA-N 0 0 381.797 3.679 40 5 GHBBRN COc1ccc(C(=O)Oc2ccc(-c3cc(C)ccc3C)nn2)cc1[N+](=O)[O-] ZINC000408529785 533353103 /nfs/dbraw/zinc/35/31/03/533353103.db2.gz OMKBUHQDCVCSLE-UHFFFAOYSA-N 0 0 379.372 3.896 40 5 GHBBRN COc1cccc(Oc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cn2)c1 ZINC000408678446 533679837 /nfs/dbraw/zinc/67/98/37/533679837.db2.gz ZESOXTKEDTXJLG-UHFFFAOYSA-N 0 0 379.372 3.972 40 5 GHBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cn1 ZINC000225872463 528681132 /nfs/dbraw/zinc/68/11/32/528681132.db2.gz STSVWGUNAXRIQM-UHFFFAOYSA-N 0 0 399.447 3.856 40 5 GHBBRN Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2C)cc1[N+](=O)[O-] ZINC000000793569 570331100 /nfs/dbraw/zinc/33/11/00/570331100.db2.gz RQCQTBRUVIJEQX-UHFFFAOYSA-N 0 0 389.481 3.810 40 5 GHBBRN O=C(NCCCn1ccnc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408574323 570384025 /nfs/dbraw/zinc/38/40/25/570384025.db2.gz HAAOBDZDHCGTGM-HMMYKYKNSA-N 0 0 376.416 3.538 40 5 GHBBRN COc1cccc(-n2ccc3nc4ccn(CCC(C)C)c(=O)c4cc3c2=O)c1 ZINC000038828931 570584084 /nfs/dbraw/zinc/58/40/84/570584084.db2.gz UNLVBKSJIKGJRO-UHFFFAOYSA-N 0 0 389.455 3.755 40 5 GHBBRN O=[N+]([O-])c1cccc(Nc2ncnc(Nc3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])c1 ZINC000101458482 570823548 /nfs/dbraw/zinc/82/35/48/570823548.db2.gz YGKJNWYYBSXPJM-UHFFFAOYSA-N 0 0 397.307 3.688 40 5 GHBBRN CC(=O)n1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)c2ccccc21 ZINC000017023356 570924806 /nfs/dbraw/zinc/92/48/06/570924806.db2.gz KPYYXVSIJVCYGO-LICLKQGHSA-N 0 0 375.340 3.554 40 5 GHBBRN CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224777306 570967553 /nfs/dbraw/zinc/96/75/53/570967553.db2.gz MFVNXRCBXHWMTQ-UHFFFAOYSA-N 0 0 384.841 3.780 40 5 GHBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000214320461 855394346 /nfs/dbraw/zinc/39/43/46/855394346.db2.gz IPQWORLXAGLPLJ-CXUHLZMHSA-N 0 0 388.376 3.979 40 5 GHBBRN Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000059200744 862817305 /nfs/dbraw/zinc/81/73/05/862817305.db2.gz GKRKALSNYXMYDD-UHFFFAOYSA-N 0 0 388.380 3.823 40 5 GHBBRN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000328955127 898357325 /nfs/dbraw/zinc/35/73/25/898357325.db2.gz AADJWYNZBLLZJE-OAHLLOKOSA-N 0 0 391.859 3.510 40 5 GHBBRN CCn1c(=O)sc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC000225074379 898603085 /nfs/dbraw/zinc/60/30/85/898603085.db2.gz MYKNEJBQKQMBRZ-UHFFFAOYSA-N 0 0 377.809 3.897 40 5 GHBBRN COc1cc2c(cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CCCC2 ZINC000225549296 898767126 /nfs/dbraw/zinc/76/71/26/898767126.db2.gz MAYBFJXWBBKYAU-UHFFFAOYSA-N 0 0 396.852 3.936 40 5 GHBBRN COc1cc(CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1OC ZINC000016195245 210186772 /nfs/dbraw/zinc/18/67/72/210186772.db2.gz KLQUQLOWAYEBCY-UHFFFAOYSA-N 0 0 375.406 3.789 40 5 GHBBRN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000005020210 212065023 /nfs/dbraw/zinc/06/50/23/212065023.db2.gz BSVUAJMUZPUDJT-INIZCTEOSA-N 0 0 383.364 3.506 40 5 GHBBRN Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC(C)C)C1 ZINC000008636102 211597946 /nfs/dbraw/zinc/59/79/46/211597946.db2.gz JBPVIBACHAWAEW-HZPDHXFCSA-N 0 0 383.452 3.517 40 5 biogenic,in-vitro GHBBRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000030867883 210559959 /nfs/dbraw/zinc/55/99/59/210559959.db2.gz CVCMCPNTOAXJQG-LJQANCHMSA-N 0 0 392.477 3.810 40 5 GHBBRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 ZINC000020611849 210352429 /nfs/dbraw/zinc/35/24/29/210352429.db2.gz YVOLAIQLIIKRCL-OAHLLOKOSA-N 0 0 399.447 3.861 40 5 GHBBRN CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000010231819 136198732 /nfs/dbraw/zinc/19/87/32/136198732.db2.gz ANEZCCRNZMMWSD-UHFFFAOYSA-N 0 0 383.448 3.654 40 5 GHBBRN Cc1sc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000409205323 534612032 /nfs/dbraw/zinc/61/20/32/534612032.db2.gz BIJWPJOIISQKAY-UHFFFAOYSA-N 0 0 397.412 3.822 40 5 GHBBRN CC(C)(C)CNc1cc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000013632994 534612476 /nfs/dbraw/zinc/61/24/76/534612476.db2.gz PDKFHVSIBPGCKI-UHFFFAOYSA-N 0 0 376.501 3.748 40 5 GHBBRN CCCc1ccc(OCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000223409027 570242914 /nfs/dbraw/zinc/24/29/14/570242914.db2.gz IJJLMFPDRFBJEG-UHFFFAOYSA-N 0 0 388.489 3.976 40 5 GHBBRN Cc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000223691239 570324075 /nfs/dbraw/zinc/32/40/75/570324075.db2.gz YHUJABMUHYLRKR-UHFFFAOYSA-N 0 0 392.477 3.558 40 5 GHBBRN CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN12 ZINC000006262539 570352403 /nfs/dbraw/zinc/35/24/03/570352403.db2.gz UWYRDNCOMXXPNJ-YSTOQKLRSA-N 0 0 377.444 3.804 40 5 GHBBRN Cc1ccc(C(=O)NC(=S)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000408627581 570387839 /nfs/dbraw/zinc/38/78/39/570387839.db2.gz LXVZPJRZBYJNAR-UHFFFAOYSA-N 0 0 381.360 3.631 40 5 GHBBRN COC(=O)c1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000008092193 570463554 /nfs/dbraw/zinc/46/35/54/570463554.db2.gz DGGJQLBOQJXYKZ-UHFFFAOYSA-N 0 0 394.836 3.907 40 5 GHBBRN Cc1nc(N(C)c2ccc(O)cc2)c([N+](=O)[O-])c(N(C)c2ccc(O)cc2)n1 ZINC000005390712 570575672 /nfs/dbraw/zinc/57/56/72/570575672.db2.gz PPLAJVZPWVITNY-UHFFFAOYSA-N 0 0 381.392 3.640 40 5 GHBBRN CN(C)C1=NC(c2ccc([N+](=O)[O-])cc2)=N[C@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000036293458 570597447 /nfs/dbraw/zinc/59/74/47/570597447.db2.gz DOCWTHXVWMGIHE-INIZCTEOSA-N 0 0 385.405 3.613 40 5 GHBBRN COC(=O)c1c2cc(Br)ccc2nc2cc(OC)cc(OC)c21 ZINC000005045802 570658152 /nfs/dbraw/zinc/65/81/52/570658152.db2.gz CTGXMIRNWPCHLD-UHFFFAOYSA-N 0 0 376.206 3.954 40 5 GHBBRN COc1cc2nc3ccc(NC(=S)N4CCCCC4)cc3nc2cc1OC ZINC000408990776 570689813 /nfs/dbraw/zinc/68/98/13/570689813.db2.gz LYVYSVIJWSZSHX-UHFFFAOYSA-N 0 0 382.489 3.983 40 5 GHBBRN CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000222766716 570754337 /nfs/dbraw/zinc/75/43/37/570754337.db2.gz PIDNLSUWUJPWKG-MSOLQXFVSA-N 0 0 380.429 3.852 40 5 GHBBRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000044945975 570984066 /nfs/dbraw/zinc/98/40/66/570984066.db2.gz ICEODJSJVSKOIU-UHFFFAOYSA-N 0 0 398.824 3.534 40 5 GHBBRN C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004949986 571026646 /nfs/dbraw/zinc/02/66/46/571026646.db2.gz KAAKGJOOOZVFAF-SNVBAGLBSA-N 0 0 394.416 3.534 40 5 GHBBRN Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000008209230 856059496 /nfs/dbraw/zinc/05/94/96/856059496.db2.gz PBMJCXTVRLZLOY-UHFFFAOYSA-N 0 0 384.417 3.992 40 5 GHBBRN O=C1NC(=O)C(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1 ZINC000059514581 862925314 /nfs/dbraw/zinc/92/53/14/862925314.db2.gz WXIQGPQRWSVFHU-VGOFMYFVSA-N 0 0 387.329 3.619 40 5 GHBBRN CCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1 ZINC000020529108 860596126 /nfs/dbraw/zinc/59/61/26/860596126.db2.gz TYRDDZAWUUMVJY-UHFFFAOYSA-N 0 0 375.337 3.553 40 5 GHBBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000217892604 894649132 /nfs/dbraw/zinc/64/91/32/894649132.db2.gz YFNPLEQXNQCLBH-CMDGGOBGSA-N 0 0 384.417 3.768 40 5 GHBBRN COc1ccc(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000059386055 900925687 /nfs/dbraw/zinc/92/56/87/900925687.db2.gz HJSATRFLNIAGDO-UHFFFAOYSA-N 0 0 378.812 3.628 40 5 GHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccco1 ZINC000006356575 230846641 /nfs/dbraw/zinc/84/66/41/230846641.db2.gz XCONXUUGYDFBCF-UHFFFAOYSA-N 0 0 387.421 3.505 40 5 GHBBRN Cc1cc(Br)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000160269605 231026836 /nfs/dbraw/zinc/02/68/36/231026836.db2.gz NDGGRDGXYNGBJL-UHFFFAOYSA-N 0 0 382.239 3.792 40 5 GHBBRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1 ZINC000409150754 231172309 /nfs/dbraw/zinc/17/23/09/231172309.db2.gz DKZHEFAZTXUNNV-UHFFFAOYSA-N 0 0 384.417 3.992 40 5 GHBBRN Cc1ccc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000013672144 210077891 /nfs/dbraw/zinc/07/78/91/210077891.db2.gz HCFBESJBFYGZSZ-UHFFFAOYSA-N 0 0 392.477 3.602 40 5 GHBBRN COc1ccc2c3nccc4c5cc(OC(C)=O)ccc5n(c43)c(=O)c2c1OC ZINC000006624356 209233431 /nfs/dbraw/zinc/23/34/31/209233431.db2.gz FQPSZMQVMNFOIK-UHFFFAOYSA-N 0 0 388.379 3.534 40 5 biogenic GHBBRN COc1c(C)cccc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000408621178 533406160 /nfs/dbraw/zinc/40/61/60/533406160.db2.gz LISWDHOJSIXZED-UHFFFAOYSA-N 0 0 379.825 3.692 40 5 GHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000103718945 534342513 /nfs/dbraw/zinc/34/25/13/534342513.db2.gz IOYIEOIUXDWCTE-CYBMUJFWSA-N 0 0 387.823 3.857 40 5 GHBBRN O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408615100 534385868 /nfs/dbraw/zinc/38/58/68/534385868.db2.gz LUAQBTQNLDIDFT-UHFFFAOYSA-N 0 0 393.374 3.916 40 5 GHBBRN O=C(Oc1ccc(Br)cc1/C=C/[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000408535628 534566566 /nfs/dbraw/zinc/56/65/66/534566566.db2.gz OICBUMPUXDSFLA-BQYQJAHWSA-N 0 0 393.149 3.824 40 5 GHBBRN COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1[N+](=O)[O-] ZINC000020142516 523746726 /nfs/dbraw/zinc/74/67/26/523746726.db2.gz HZLRBKREDPWUJE-UHFFFAOYSA-N 0 0 398.371 3.617 40 5 GHBBRN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006441663 570423405 /nfs/dbraw/zinc/42/34/05/570423405.db2.gz YGMZRDLJMQNQBQ-UHFFFAOYSA-N 0 0 381.344 3.701 40 5 GHBBRN COc1ccc2c(c1[N+](=O)[O-])CCCC(Br)(Br)C2=O ZINC000005493211 570613428 /nfs/dbraw/zinc/61/34/28/570613428.db2.gz HDZBVYOSIAFSHL-UHFFFAOYSA-N 0 0 393.031 3.609 40 5 GHBBRN Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000409052556 570695704 /nfs/dbraw/zinc/69/57/04/570695704.db2.gz KGENACKWWWEIKZ-UHFFFAOYSA-N 0 0 381.432 3.703 40 5 GHBBRN O=C1Nc2ccccc2S/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000409102626 570698938 /nfs/dbraw/zinc/69/89/38/570698938.db2.gz BMPHCWZBOKKLHE-PDGQHHTCSA-N 0 0 383.429 3.517 40 5 GHBBRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000224948855 571013972 /nfs/dbraw/zinc/01/39/72/571013972.db2.gz UKCWXVYCEAHDQA-HNNXBMFYSA-N 0 0 390.461 3.956 40 5 GHBBRN Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2=O)c1C ZINC000069525082 859548063 /nfs/dbraw/zinc/54/80/63/859548063.db2.gz XKYQHLVFLONUGG-CYBMUJFWSA-N 0 0 387.823 3.857 40 5 GHBBRN Cc1c(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cccc1[N+](=O)[O-] ZINC000217878566 894610408 /nfs/dbraw/zinc/61/04/08/894610408.db2.gz YZFDUWMLBGUXJR-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004800804 914073565 /nfs/dbraw/zinc/07/35/65/914073565.db2.gz NEKJAPSXNJHDIL-UHFFFAOYSA-N 0 0 382.141 3.536 40 5 GHBBRN O=[N+]([O-])c1ccc(/C=C(/c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccccc2)o1 ZINC000017106446 210204789 /nfs/dbraw/zinc/20/47/89/210204789.db2.gz STDKPKUCUGOEAT-UVTDQMKNSA-N 0 0 390.329 3.661 40 5 GHBBRN O=[N+]([O-])c1ccccc1-c1nnc(CSc2nnc(-c3ccccc3O)o2)o1 ZINC000009010513 209247240 /nfs/dbraw/zinc/24/72/40/209247240.db2.gz VYGUJAYAWPIQTM-UHFFFAOYSA-N 0 0 397.372 3.693 40 5 GHBBRN CC[C@H](C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000329025695 209158282 /nfs/dbraw/zinc/15/82/82/209158282.db2.gz PHVYGEHWNHDVIT-ZDUSSCGKSA-N 0 0 381.411 3.989 40 5 GHBBRN CC(C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccncc2)n1 ZINC000328971631 209154102 /nfs/dbraw/zinc/15/41/02/209154102.db2.gz DQRGUGUKUWJUSU-UHFFFAOYSA-N 0 0 384.827 3.508 40 5 GHBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1 ZINC000005512938 211623086 /nfs/dbraw/zinc/62/30/86/211623086.db2.gz ZZBJVNLOVNDYTA-XCVCLJGOSA-N 0 0 394.168 3.851 40 5 GHBBRN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 ZINC000001838000 211511175 /nfs/dbraw/zinc/51/11/75/211511175.db2.gz LZSIOMVRBQDQOC-UHFFFAOYSA-N 0 0 385.397 3.942 40 5 GHBBRN O=C(Nc1cccc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000006152796 136196807 /nfs/dbraw/zinc/19/68/07/136196807.db2.gz XYNXTKAFUUQLMS-UHFFFAOYSA-N 0 0 377.400 3.837 40 5 GHBBRN COc1ccccc1NC(=O)/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000408529914 534163782 /nfs/dbraw/zinc/16/37/82/534163782.db2.gz HXISRMKDPKYUKE-MDZDMXLPSA-N 0 0 376.372 3.712 40 5 GHBBRN S=C(NCc1ccco1)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 ZINC000409001208 534458610 /nfs/dbraw/zinc/45/86/10/534458610.db2.gz VLOGKJKMHIYCOQ-UHFFFAOYSA-N 0 0 392.440 3.634 40 5 GHBBRN O=C(Oc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408667865 534569265 /nfs/dbraw/zinc/56/92/65/534569265.db2.gz QMTTWGOIABFFKX-INIZCTEOSA-N 0 0 376.368 3.707 40 5 GHBBRN O=C1NC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccccc1 ZINC000409019466 534781810 /nfs/dbraw/zinc/78/18/10/534781810.db2.gz ZFSXWJNVCYEMMX-ATVHPVEESA-N 0 0 375.340 3.952 40 5 GHBBRN CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000408732523 528076591 /nfs/dbraw/zinc/07/65/91/528076591.db2.gz WGFYOTQEDFROCP-WQRHYEAKSA-N 0 0 394.383 3.752 40 5 GHBBRN CCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000408734390 528113832 /nfs/dbraw/zinc/11/38/32/528113832.db2.gz PBGZOOBIYRQBFF-MRXNPFEDSA-N 0 0 387.358 3.557 40 5 GHBBRN CCCCc1nc2cc(NC(C)=O)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] ZINC000004850391 570632064 /nfs/dbraw/zinc/63/20/64/570632064.db2.gz KWQWYJOTEACOQC-UHFFFAOYSA-N 0 0 381.436 3.997 40 5 GHBBRN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccco1 ZINC000013614781 570660953 /nfs/dbraw/zinc/66/09/53/570660953.db2.gz SWMMDNGDXNRIEH-UHFFFAOYSA-N 0 0 396.315 3.601 40 5 GHBBRN O=C(NCCSCc1ccccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005583981 570662107 /nfs/dbraw/zinc/66/21/07/570662107.db2.gz WFYVUILTUATUGG-UHFFFAOYSA-N 0 0 395.824 3.820 40 5 GHBBRN Cc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1Cc1ccccc1 ZINC000000877769 570679136 /nfs/dbraw/zinc/67/91/36/570679136.db2.gz NFEREKAVZGKZIO-UHFFFAOYSA-N 0 0 397.460 3.582 40 5 GHBBRN CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000026780262 570806866 /nfs/dbraw/zinc/80/68/66/570806866.db2.gz RHZLGHADLCQGGN-LJQANCHMSA-N 0 0 394.431 3.732 40 5 GHBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000014831623 570908469 /nfs/dbraw/zinc/90/84/69/570908469.db2.gz KNCCVMUZOCTCHX-FMIVXFBMSA-N 0 0 391.383 3.770 40 5 GHBBRN CCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCC ZINC000044848142 570980307 /nfs/dbraw/zinc/98/03/07/570980307.db2.gz DRXLFTIXYHHFMV-UHFFFAOYSA-N 0 0 388.420 3.972 40 5 GHBBRN CCCSc1nnc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)s1 ZINC000223289706 570999380 /nfs/dbraw/zinc/99/93/80/570999380.db2.gz NCDWJOQPMXYMHI-UHFFFAOYSA-N 0 0 384.508 3.820 40 5 GHBBRN Cc1cc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] ZINC000007759567 571031855 /nfs/dbraw/zinc/03/18/55/571031855.db2.gz MBMLSEGDTZYHQP-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN CC1(C)OC(=O)C([C@@H](c2c[nH]c3ccccc32)c2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC000039223253 856373349 /nfs/dbraw/zinc/37/33/49/856373349.db2.gz QETKRDLXHJLCFV-QGZVFWFLSA-N 0 0 394.383 3.660 40 5 GHBBRN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927965 920568294 /nfs/dbraw/zinc/56/82/94/920568294.db2.gz VHDVTXFGKZELTH-LLVKDONJSA-N 0 0 393.321 3.605 40 5 GHBBRN Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008475613 921871228 /nfs/dbraw/zinc/87/12/28/921871228.db2.gz URFVZRXPBNMSGJ-UHFFFAOYSA-N 0 0 378.388 3.649 40 5 GHBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000008811257 922326809 /nfs/dbraw/zinc/32/68/09/922326809.db2.gz JJIWEZDRADZYOG-UHFFFAOYSA-N 0 0 388.380 3.823 40 5 GHBBRN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1c(C)[nH][nH]c1=O ZINC000014134620 210106194 /nfs/dbraw/zinc/10/61/94/210106194.db2.gz AGFZTNOFPRDRAQ-UHFFFAOYSA-N 0 0 395.375 3.509 40 5 GHBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl ZINC000005593098 209604823 /nfs/dbraw/zinc/60/48/23/209604823.db2.gz QMLVXPDFNXBYGL-UHFFFAOYSA-N 0 0 397.815 3.913 40 5 GHBBRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS[C@H]2c2cccc(Cl)c2)c1 ZINC000005568785 209604030 /nfs/dbraw/zinc/60/40/30/209604030.db2.gz DICDPZMSNHWHJI-HNNXBMFYSA-N 0 0 384.866 3.685 40 5 GHBBRN O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003190439 209414480 /nfs/dbraw/zinc/41/44/80/209414480.db2.gz FVKOYXKOEBBFCE-UHFFFAOYSA-N 0 0 388.339 3.869 40 5 GHBBRN O=[N+]([O-])c1ccccc1S(=O)(=O)NC1c2ccccc2Oc2ccccc21 ZINC000001593442 209334185 /nfs/dbraw/zinc/33/41/85/209334185.db2.gz CUZVLCWIHBFPET-UHFFFAOYSA-N 0 0 382.397 3.768 40 5 GHBBRN CC[C@@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2cccnc2)n1 ZINC000329026637 209158325 /nfs/dbraw/zinc/15/83/25/209158325.db2.gz POENLWHNEJHAAV-CYBMUJFWSA-N 0 0 378.436 3.553 40 5 GHBBRN COc1ccc(Nc2cc(-c3cccnc3)nc(NC(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000328987695 209156740 /nfs/dbraw/zinc/15/67/40/209156740.db2.gz IEHIUHWBUQNXSN-UHFFFAOYSA-N 0 0 394.435 3.831 40 5 GHBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1Cl ZINC000225565448 211906822 /nfs/dbraw/zinc/90/68/22/211906822.db2.gz BNGHRKONAGIFJG-UHFFFAOYSA-N 0 0 390.823 3.944 40 5 GHBBRN C[C@@H]1CN(c2c(Br)cc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000226316287 136192512 /nfs/dbraw/zinc/19/25/12/136192512.db2.gz MKHZRQNRGWGETL-HTQZYQBOSA-N 0 0 394.063 3.733 40 5 GHBBRN COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1[N+](=O)[O-] ZINC000020142511 523747925 /nfs/dbraw/zinc/74/79/25/523747925.db2.gz DEHQVYCJFQYSKK-UHFFFAOYSA-N 0 0 382.372 3.916 40 5 GHBBRN COc1ccc(Cc2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000013998095 570270644 /nfs/dbraw/zinc/27/06/44/570270644.db2.gz BVEGIZGXRCCPKI-UHFFFAOYSA-N 0 0 385.401 3.552 40 5 GHBBRN COc1c(C)cccc1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000006968528 570722065 /nfs/dbraw/zinc/72/20/65/570722065.db2.gz SGLINCMBNDNMNW-UHFFFAOYSA-N 0 0 389.839 3.528 40 5 GHBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c([N+](=O)[O-])c3)N21 ZINC000222654964 570750382 /nfs/dbraw/zinc/75/03/82/570750382.db2.gz MZMYRNYFBHJLEY-JEBQAFNWSA-N 0 0 384.461 3.978 40 5 GHBBRN COc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000007382598 570835052 /nfs/dbraw/zinc/83/50/52/570835052.db2.gz GORGYOLMHSHAQO-UHFFFAOYSA-N 0 0 379.372 3.972 40 5 GHBBRN CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000015372936 570933111 /nfs/dbraw/zinc/93/31/11/570933111.db2.gz VTBAYMGWXOBRJG-UHFFFAOYSA-N 0 0 375.812 3.886 40 5 GHBBRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000044846378 570980283 /nfs/dbraw/zinc/98/02/83/570980283.db2.gz DOSJQQKQJOSRLC-UHFFFAOYSA-N 0 0 398.824 3.534 40 5 GHBBRN CCCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000039773398 856530666 /nfs/dbraw/zinc/53/06/66/856530666.db2.gz HQLJXIRZNMGMFG-UHFFFAOYSA-N 0 0 395.375 3.636 40 5 GHBBRN CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225059974 898600049 /nfs/dbraw/zinc/60/00/49/898600049.db2.gz HQKDATPQSGIHFW-UHFFFAOYSA-N 0 0 386.429 3.972 40 5 GHBBRN Cc1ccccc1[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000038757312 900629163 /nfs/dbraw/zinc/62/91/63/900629163.db2.gz HGOZJDFXYXCLEG-FQEVSTJZSA-N 0 0 382.441 3.971 40 5 GHBBRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007882613 920403499 /nfs/dbraw/zinc/40/34/99/920403499.db2.gz JFUHUEKECOPATM-SNVBAGLBSA-N 0 0 394.214 3.893 40 5 GHBBRN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615742 210154688 /nfs/dbraw/zinc/15/46/88/210154688.db2.gz SZYHVZIFABRDPS-UHFFFAOYSA-N 0 0 392.346 3.897 40 5 GHBBRN C[C@H](Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)C(=O)NC1CC1 ZINC000006624414 209233303 /nfs/dbraw/zinc/23/33/03/209233303.db2.gz GBRXUKRUAQKTDX-ZDUSSCGKSA-N 0 0 397.434 3.638 40 5 biogenic GHBBRN COc1ccc([C@@H](C)NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)cc1 ZINC000002796448 212062205 /nfs/dbraw/zinc/06/22/05/212062205.db2.gz TTWUWIJAUOPSQK-OAHLLOKOSA-N 0 0 394.431 3.648 40 5 GHBBRN O=[N+]([O-])c1cc(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)ccc1F ZINC000329045946 209158169 /nfs/dbraw/zinc/15/81/69/209158169.db2.gz TYDAZUIVXFHTKS-UHFFFAOYSA-N 0 0 394.410 3.528 40 5 GHBBRN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)c1 ZINC000223735930 211842654 /nfs/dbraw/zinc/84/26/54/211842654.db2.gz QOEVNAZLLBQLQI-UHFFFAOYSA-N 0 0 384.413 3.866 40 5 GHBBRN O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCCC1)c1cccs1 ZINC000000851220 211492977 /nfs/dbraw/zinc/49/29/77/211492977.db2.gz QHQLGTLGGAHKPM-SAPNQHFASA-N 0 0 399.472 3.830 40 5 GHBBRN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(Br)cc1 ZINC000072228830 211084139 /nfs/dbraw/zinc/08/41/39/211084139.db2.gz FFZSZOKIYGUUJO-UHFFFAOYSA-N 0 0 379.210 3.992 40 5 GHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(Cl)cc1Cl ZINC000006314962 534347002 /nfs/dbraw/zinc/34/70/02/534347002.db2.gz VDVUENILMPBFRZ-UHFFFAOYSA-N 0 0 375.233 3.689 40 5 GHBBRN O=C(Nc1cccc2ccccc21)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408647298 534373680 /nfs/dbraw/zinc/37/36/80/534373680.db2.gz WVOCNZSATUKGHD-HNNXBMFYSA-N 0 0 375.384 3.740 40 5 GHBBRN CC(C)COC(=O)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000408729629 528077047 /nfs/dbraw/zinc/07/70/47/528077047.db2.gz CUZNAKRWVVCEDP-ZDLGFXPLSA-N 0 0 394.383 3.752 40 5 GHBBRN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004976327 570386121 /nfs/dbraw/zinc/38/61/21/570386121.db2.gz MDLXPFMPZJKWCK-UHFFFAOYSA-N 0 0 397.460 3.528 40 5 GHBBRN O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000006505848 570459273 /nfs/dbraw/zinc/45/92/73/570459273.db2.gz ZUIIFKDFSZCXKM-SNAWJCMRSA-N 0 0 385.489 3.568 40 5 GHBBRN NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCC2 ZINC000006861747 570652907 /nfs/dbraw/zinc/65/29/07/570652907.db2.gz REPIXJYNIABGIH-FNORWQNLSA-N 0 0 391.836 3.549 40 5 GHBBRN CC(C)(C)c1ccc(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1 ZINC000073642427 570664752 /nfs/dbraw/zinc/66/47/52/570664752.db2.gz JDRVMHWZEMYSJL-UHFFFAOYSA-N 0 0 381.432 3.737 40 5 GHBBRN CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222766477 570754320 /nfs/dbraw/zinc/75/43/20/570754320.db2.gz KZJIPOFZDFTFIZ-MSOLQXFVSA-N 0 0 380.429 3.852 40 5 GHBBRN O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205659771 570755985 /nfs/dbraw/zinc/75/59/85/570755985.db2.gz WOBZUBUUZKQXKR-OQLLNIDSSA-N 0 0 385.357 3.740 40 5 GHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1NC(C2CCCCC2)=C[C@@]1(O)C(F)(F)F ZINC000032100794 570959271 /nfs/dbraw/zinc/95/92/71/570959271.db2.gz UQNKHHXRRVAYIU-MRXNPFEDSA-N 0 0 385.342 3.628 40 5 GHBBRN Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 ZINC000008209427 856060185 /nfs/dbraw/zinc/06/01/85/856060185.db2.gz VDCVAXTZFMBOGR-UHFFFAOYSA-N 0 0 384.417 3.992 40 5 GHBBRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000033407546 892626439 /nfs/dbraw/zinc/62/64/39/892626439.db2.gz BLDXCFZFALRPKG-UHFFFAOYSA-N 0 0 383.351 3.867 40 5 GHBBRN Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000225015668 898580551 /nfs/dbraw/zinc/58/05/51/898580551.db2.gz QCKDRMQWKAGPAM-UHFFFAOYSA-N 0 0 382.157 3.760 40 5 GHBBRN O=C(Nc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)c1ccccc1 ZINC000008434726 921806606 /nfs/dbraw/zinc/80/66/06/921806606.db2.gz XRGNXIWKINFZGZ-UHFFFAOYSA-N 0 0 387.351 3.648 40 5 GHBBRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000008475629 921869506 /nfs/dbraw/zinc/86/95/06/921869506.db2.gz LLHGNMZXAULVRS-UHFFFAOYSA-N 0 0 378.388 3.649 40 5 GHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000103718742 231014077 /nfs/dbraw/zinc/01/40/77/231014077.db2.gz TTWAYVWXVRAILT-NSHDSACASA-N 0 0 393.321 3.605 40 5 GHBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1C(C)C ZINC000013995624 210099601 /nfs/dbraw/zinc/09/96/01/210099601.db2.gz IZLDWIXNTZBNAN-UHFFFAOYSA-N 0 0 383.861 3.714 40 5 GHBBRN O=[N+]([O-])c1ccc(Cl)c(CNc2ncnc3c2ncn3[C@H]2CCCCO2)c1 ZINC000001728168 209337206 /nfs/dbraw/zinc/33/72/06/209337206.db2.gz HWSODBLPHNBIID-CQSZACIVSA-N 0 0 388.815 3.699 40 5 in-vitro GHBBRN Cc1ccn2c(c1)nc(-c1cccc([N+](=O)[O-])c1)c2C[NH+]1CCC(C(=O)[O-])CC1 ZINC000002528838 209229616 /nfs/dbraw/zinc/22/96/16/209229616.db2.gz DXRGKDSBZSRMSW-UHFFFAOYSA-N 0 0 394.431 3.515 40 5 GHBBRN CCCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1CC ZINC000020033970 210312023 /nfs/dbraw/zinc/31/20/23/210312023.db2.gz JMNLCHPRGJWOFK-UHFFFAOYSA-N 0 0 383.861 3.543 40 5 GHBBRN C[C@@H]1CN(c2c(Br)cc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000226316293 136192643 /nfs/dbraw/zinc/19/26/43/136192643.db2.gz MKHZRQNRGWGETL-OCAPTIKFSA-N 0 0 394.063 3.733 40 5 GHBBRN Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000013633115 136201369 /nfs/dbraw/zinc/20/13/69/136201369.db2.gz AVRHDPAONQUOHT-UHFFFAOYSA-N 0 0 383.448 3.653 40 5 GHBBRN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408642396 534346748 /nfs/dbraw/zinc/34/67/48/534346748.db2.gz ONOHPWKFGWSOLU-JTQLQIEISA-N 0 0 394.214 3.893 40 5 GHBBRN O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000408615950 534385756 /nfs/dbraw/zinc/38/57/56/534385756.db2.gz USSUZJCZWMPDMW-UHFFFAOYSA-N 0 0 393.374 3.916 40 5 GHBBRN O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917121 534823874 /nfs/dbraw/zinc/82/38/74/534823874.db2.gz 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CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000224734604 570958818 /nfs/dbraw/zinc/95/88/18/570958818.db2.gz HUCACUVUIOHPSE-UHFFFAOYSA-N 0 0 385.239 3.573 40 5 GHBBRN Cn1c2ccccc2nc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008808360 857280278 /nfs/dbraw/zinc/28/02/78/857280278.db2.gz AFOLBOQVIRIUMX-UHFFFAOYSA-N 0 0 376.825 3.866 40 5 GHBBRN O=C(CSc1ncn(-c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000011475214 858746766 /nfs/dbraw/zinc/74/67/66/858746766.db2.gz ZIMQGGSWGUKGFG-UHFFFAOYSA-N 0 0 389.824 3.560 40 5 GHBBRN COc1cc(CCN(C)C(C)=O)c2ccc3ccc(OC)c(OC(C)=O)c3c2c1 ZINC000096032895 914062158 /nfs/dbraw/zinc/06/21/58/914062158.db2.gz IQCNMUAWZXTDNZ-UHFFFAOYSA-N 0 0 395.455 3.956 40 5 in-vitro GHBBRN CCN(CC)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000004896702 914202043 /nfs/dbraw/zinc/20/20/43/914202043.db2.gz SWMSYAXGGBEOPA-UHFFFAOYSA-N 0 0 398.463 3.530 40 5 GHBBRN COc1ccc(Nc2cc(C(F)(F)F)nc(NC(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000329018897 898366416 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CC[C@@H](C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000329034241 209158297 /nfs/dbraw/zinc/15/82/97/209158297.db2.gz QWTGSVWSEDPFII-CYBMUJFWSA-N 0 0 381.411 3.989 40 5 GHBBRN COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OC ZINC000225676825 211914044 /nfs/dbraw/zinc/91/40/44/211914044.db2.gz NQBAZXPADXRLEP-UHFFFAOYSA-N 0 0 398.415 3.841 40 5 GHBBRN CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225083184 211882548 /nfs/dbraw/zinc/88/25/48/211882548.db2.gz SODHBLGGGJEVCR-UHFFFAOYSA-N 0 0 384.841 3.780 40 5 GHBBRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000218126281 211757894 /nfs/dbraw/zinc/75/78/94/211757894.db2.gz PCQHDGMHQYZBJO-INIZCTEOSA-N 0 0 396.852 3.533 40 5 GHBBRN CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000217874001 211752678 /nfs/dbraw/zinc/75/26/78/211752678.db2.gz RQCBRKJWXDMHNV-OAHLLOKOSA-N 0 0 396.852 3.533 40 5 GHBBRN CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 ZINC000020611852 210351646 /nfs/dbraw/zinc/35/16/46/210351646.db2.gz VKDHROPGMWYFMS-OAHLLOKOSA-N 0 0 399.447 3.861 40 5 GHBBRN COc1ccc(-c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn2)cc1 ZINC000408530625 533180336 /nfs/dbraw/zinc/18/03/36/533180336.db2.gz PZAJNRZCDHRNJZ-UHFFFAOYSA-N 0 0 385.763 3.933 40 5 GHBBRN Cc1cccc(C(=O)Nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229083 136167631 /nfs/dbraw/zinc/16/76/31/136167631.db2.gz RRKNEZHGWYVSLT-UHFFFAOYSA-N 0 0 375.812 3.646 40 5 GHBBRN O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000072229247 136167661 /nfs/dbraw/zinc/16/76/61/136167661.db2.gz HWRKXJQLMNDALV-UHFFFAOYSA-N 0 0 396.230 3.991 40 5 GHBBRN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 ZINC000004739316 136196641 /nfs/dbraw/zinc/19/66/41/136196641.db2.gz VEHKCIFZMQETIY-UHFFFAOYSA-N 0 0 398.444 3.602 40 5 GHBBRN O=C(Nc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000006152834 136196854 /nfs/dbraw/zinc/19/68/54/136196854.db2.gz LGPZTRAXAWJLNX-UHFFFAOYSA-N 0 0 377.400 3.837 40 5 GHBBRN Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 ZINC000408714828 534222145 /nfs/dbraw/zinc/22/21/45/534222145.db2.gz XIRBQGVZXUJFNP-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN CCCOc1ccc(C=CC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000408565966 528640852 /nfs/dbraw/zinc/64/08/52/528640852.db2.gz CQGTWYBZNUGGBH-VZUCSPMQSA-N 0 0 399.399 3.832 40 5 GHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccccc1C(C)(C)C ZINC000223700088 570324527 /nfs/dbraw/zinc/32/45/27/570324527.db2.gz WMFSKZMSLVMSHA-UHFFFAOYSA-N 0 0 392.477 3.558 40 5 GHBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000408625672 570387522 /nfs/dbraw/zinc/38/75/22/570387522.db2.gz FDMNJQILKSJGIB-UHFFFAOYSA-N 0 0 385.232 3.533 40 5 GHBBRN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3cccs3)no2)C1 ZINC000001364505 570578171 /nfs/dbraw/zinc/57/81/71/570578171.db2.gz CLVIJULFIHJESS-LBPRGKRZSA-N 0 0 384.417 3.726 40 5 GHBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(SCc2ccccc2)s1 ZINC000021954128 570773835 /nfs/dbraw/zinc/77/38/35/570773835.db2.gz LRDGKRUJUJWNKF-UHFFFAOYSA-N 0 0 386.458 3.920 40 5 GHBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000214764271 570903035 /nfs/dbraw/zinc/90/30/35/570903035.db2.gz OEHDCZHCCHSJPE-MHWRWJLKSA-N 0 0 397.412 3.578 40 5 GHBBRN Cc1cc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Br ZINC000224780260 570967653 /nfs/dbraw/zinc/96/76/53/570967653.db2.gz UANJBJXBYDUQOY-UHFFFAOYSA-N 0 0 399.266 3.799 40 5 GHBBRN O=c1/c(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)sc2nc3ccccc3n12 ZINC000003042801 862138827 /nfs/dbraw/zinc/13/88/27/862138827.db2.gz WIBMOFINNJVVFY-NSIKDUERSA-N 0 0 392.223 3.672 40 5 GHBBRN COC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000008904246 857351550 /nfs/dbraw/zinc/35/15/50/857351550.db2.gz FDMFIWCLKHQNIO-UHFFFAOYSA-N 0 0 391.792 3.897 40 5 GHBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000009229355 857570117 /nfs/dbraw/zinc/57/01/17/857570117.db2.gz APTSITREOKECPG-JLHYYAGUSA-N 0 0 379.416 3.873 40 5 GHBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(O)c1 ZINC000033606068 884164503 /nfs/dbraw/zinc/16/45/03/884164503.db2.gz MGLIHQKTTDYLBB-UHFFFAOYSA-N 0 0 397.412 3.996 40 5 GHBBRN O=[N+]([O-])c1cc(Nc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)ccc1F ZINC000328968420 898360833 /nfs/dbraw/zinc/36/08/33/898360833.db2.gz CYVLJRZHMJYIGF-UHFFFAOYSA-N 0 0 399.348 3.875 40 5 GHBBRN COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl ZINC000224970391 898470851 /nfs/dbraw/zinc/47/08/51/898470851.db2.gz HTYIUJIUUPHDPY-UHFFFAOYSA-N 0 0 391.232 3.735 40 5 GHBBRN O=c1nc(-c2cc3c(cc2[N+](=O)[O-])OCO3)[nH]c2sc3c(c21)CCCCCC3 ZINC000006553995 917190579 /nfs/dbraw/zinc/19/05/79/917190579.db2.gz CBGNKUJLDUPBJK-UHFFFAOYSA-N 0 0 399.428 3.948 40 5 GHBBRN Cc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409181533 231175852 /nfs/dbraw/zinc/17/58/52/231175852.db2.gz CUUSNVKAIAPYKE-UHFFFAOYSA-N 0 0 396.424 3.988 40 5 GHBBRN O=Cc1ccc(Sc2n[nH]c(COc3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 ZINC000409387177 231199214 /nfs/dbraw/zinc/19/92/14/231199214.db2.gz ZZSRHBYILIHGRL-UHFFFAOYSA-N 0 0 390.808 3.909 40 5 GHBBRN CCOC(=O)C(Oc1ncccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1 ZINC000016682197 210192907 /nfs/dbraw/zinc/19/29/07/210192907.db2.gz JSMFSOAJVJMYQK-UHFFFAOYSA-N 0 0 378.384 3.876 40 5 GHBBRN COc1ccccc1N1C(=S)N[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@@H]2C ZINC000002686523 209376982 /nfs/dbraw/zinc/37/69/82/209376982.db2.gz DXUIUDVROAUKBA-RDBACFOTSA-N 0 0 385.445 3.784 40 5 GHBBRN CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225015784 211878160 /nfs/dbraw/zinc/87/81/60/211878160.db2.gz XVCZMRGZWQEUNC-UHFFFAOYSA-N 0 0 376.434 3.741 40 5 GHBBRN COc1cc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000066013508 211001024 /nfs/dbraw/zinc/00/10/24/211001024.db2.gz NSXQDIXNUKRIFU-UHFFFAOYSA-N 0 0 386.282 3.520 40 5 GHBBRN COc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000059386054 210924859 /nfs/dbraw/zinc/92/48/59/210924859.db2.gz 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CCOC(=O)COc1c(Cl)cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC ZINC000408541337 528841864 /nfs/dbraw/zinc/84/18/64/528841864.db2.gz CHGOJOIIKFSCHM-AATRIKPKSA-N 0 0 396.783 3.666 40 5 GHBBRN Cc1ccc([C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000007307135 570502469 /nfs/dbraw/zinc/50/24/69/570502469.db2.gz FNTAALLSVWHTAO-HXUWFJFHSA-N 0 0 382.441 3.971 40 5 GHBBRN Cc1ccccc1C(=O)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000005017666 570657705 /nfs/dbraw/zinc/65/77/05/570657705.db2.gz GPPQILBYUFDMQQ-UHFFFAOYSA-N 0 0 398.469 3.575 40 5 GHBBRN CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000013648326 570664735 /nfs/dbraw/zinc/66/47/35/570664735.db2.gz QNYVSZDMTFGTFU-UHFFFAOYSA-N 0 0 388.445 3.952 40 5 GHBBRN O=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 ZINC000005765374 570734784 /nfs/dbraw/zinc/73/47/84/570734784.db2.gz NIRCECSCCPCFJK-UHFFFAOYSA-N 0 0 383.141 3.591 40 5 GHBBRN COc1cc(OC)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000007641880 571010020 /nfs/dbraw/zinc/01/00/20/571010020.db2.gz VYJRMRIQIJACFU-UHFFFAOYSA-N 0 0 385.401 3.988 40 5 GHBBRN COc1ccccc1N1C(=S)N[C@@H]2c3cc([N+](=O)[O-])ccc3O[C@@]1(C)[C@H]2C ZINC000004193175 862852120 /nfs/dbraw/zinc/85/21/20/862852120.db2.gz DXUIUDVROAUKBA-AHYKXKOGSA-N 0 0 385.445 3.784 40 5 GHBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3cc(C)cc(C)c3)nc21 ZINC000010010661 858113834 /nfs/dbraw/zinc/11/38/34/858113834.db2.gz HSNZSDNRADEQNI-UHFFFAOYSA-N 0 0 387.417 3.847 40 5 GHBBRN Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(C)c([N+](=O)[O-])c3)nn12 ZINC000021595663 860849950 /nfs/dbraw/zinc/84/99/50/860849950.db2.gz MORZWKTZSCOUCS-UHFFFAOYSA-N 0 0 394.416 3.630 40 5 GHBBRN CC(C)(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000328964182 898358816 /nfs/dbraw/zinc/35/88/16/898358816.db2.gz BTUDJNAZJBRRNF-UHFFFAOYSA-N 0 0 378.436 3.691 40 5 GHBBRN O=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)nc(NC3CCCCC3)n2)c1 ZINC000329022199 898366361 /nfs/dbraw/zinc/36/63/61/898366361.db2.gz OLTXAEKGBPEFKE-UHFFFAOYSA-N 0 0 395.385 3.604 40 5 GHBBRN O=C(Nc1cc2ccncc2c2ncccc12)N1CCN(c2ccccn2)CC1 ZINC000006536988 917152653 /nfs/dbraw/zinc/15/26/53/917152653.db2.gz HSMLOOSTEWOILQ-UHFFFAOYSA-N 0 0 384.443 3.532 40 5 GHBBRN S=C(NCc1ccc2c(c1)OCO2)Nc1cc2cccnc2c2ncccc12 ZINC000006896481 917941127 /nfs/dbraw/zinc/94/11/27/917941127.db2.gz DHHZLQRIOJIFCG-UHFFFAOYSA-N 0 0 388.452 3.998 40 5 GHBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1[N+](=O)[O-] ZINC000007928129 920567846 /nfs/dbraw/zinc/56/78/46/920567846.db2.gz BGIBLWSAZPDUKZ-CYBMUJFWSA-N 0 0 387.823 3.857 40 5 GHBBRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000008475639 921871444 /nfs/dbraw/zinc/87/14/44/921871444.db2.gz RRIMZHRQSVEISZ-UHFFFAOYSA-N 0 0 378.388 3.649 40 5 GHBBRN COCCn1c(Cc2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1 ZINC000012044781 925926017 /nfs/dbraw/zinc/92/60/17/925926017.db2.gz BBFOXRUFTODJGC-UHFFFAOYSA-N 0 0 384.461 3.716 40 5 GHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718437 231014096 /nfs/dbraw/zinc/01/40/96/231014096.db2.gz NVRCKRWTSOAUKP-JTQLQIEISA-N 0 0 394.214 3.893 40 5 GHBBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C1\N=C(c2ccccc2)OC1=O ZINC000408994819 231143803 /nfs/dbraw/zinc/14/38/03/231143803.db2.gz JNUCWRGCRJQZPE-UNOMPAQXSA-N 0 0 388.383 3.742 40 5 GHBBRN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000409055605 231152026 /nfs/dbraw/zinc/15/20/26/231152026.db2.gz ZXCHPBRMBHHTHJ-UHFFFAOYSA-N 0 0 381.432 3.703 40 5 GHBBRN COc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000409193479 231177322 /nfs/dbraw/zinc/17/73/22/231177322.db2.gz DOPOMSGZTLIMGZ-VXPUYCOJSA-N 0 0 383.429 3.720 40 5 GHBBRN COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000409239530 231185726 /nfs/dbraw/zinc/18/57/26/231185726.db2.gz NSHKMKQDBOLIFJ-WJDWOHSUSA-N 0 0 388.401 3.928 40 5 GHBBRN CCn1c(COc2ccccc2)nnc1Sc1ccc(C=O)cc1[N+](=O)[O-] ZINC000409386502 231199082 /nfs/dbraw/zinc/19/90/82/231199082.db2.gz USHVWZAZTIOKDB-UHFFFAOYSA-N 0 0 384.417 3.749 40 5 GHBBRN CCc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000017078859 529602451 /nfs/dbraw/zinc/60/24/51/529602451.db2.gz SAAPGQPZSDLPHU-UHFFFAOYSA-N 0 0 386.458 3.894 40 5 GHBBRN CCc1ccccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000853616 209272863 /nfs/dbraw/zinc/27/28/63/209272863.db2.gz IFHBYCTYORFWSE-UHFFFAOYSA-N 0 0 384.417 3.938 40 5 GHBBRN Cc1cc(-c2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)n(C)n1 ZINC000017078655 211373886 /nfs/dbraw/zinc/37/38/86/211373886.db2.gz RDEXZXQTHFGFSM-UHFFFAOYSA-N 0 0 385.403 3.842 40 5 GHBBRN COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1I ZINC000408541836 533240577 /nfs/dbraw/zinc/24/05/77/533240577.db2.gz GDJVLIBPXVHPSM-GQCTYLIASA-N 0 0 386.145 3.675 40 5 GHBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223663192 570323375 /nfs/dbraw/zinc/32/33/75/570323375.db2.gz ZFSZRIZKJBCAIC-UHFFFAOYSA-N 0 0 376.434 3.808 40 5 GHBBRN Cc1cccc(-c2nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n[nH]2)c1 ZINC000004902595 570359594 /nfs/dbraw/zinc/35/95/94/570359594.db2.gz OALAKZCCBSMDJG-UHFFFAOYSA-N 0 0 383.433 3.728 40 5 GHBBRN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000004935013 570372028 /nfs/dbraw/zinc/37/20/28/570372028.db2.gz UERMJJBSHHYVHB-UHFFFAOYSA-N 0 0 384.417 3.608 40 5 GHBBRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000005210721 570509086 /nfs/dbraw/zinc/50/90/86/570509086.db2.gz FCFYUMYEWFRWJI-UHFFFAOYSA-N 0 0 384.417 3.992 40 5 GHBBRN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006863028 570652851 /nfs/dbraw/zinc/65/28/51/570652851.db2.gz DWHXEQUOOOOIKW-UHFFFAOYSA-N 0 0 387.823 3.739 40 5 GHBBRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000000862145 570663875 /nfs/dbraw/zinc/66/38/75/570663875.db2.gz ZXWCSPBHBQSRIL-UHFFFAOYSA-N 0 0 397.460 3.738 40 5 GHBBRN Cc1cc(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc(C)c1Cl ZINC000073642496 570664719 /nfs/dbraw/zinc/66/47/19/570664719.db2.gz KARPUQHUPWCMOH-UHFFFAOYSA-N 0 0 387.823 3.710 40 5 GHBBRN Cc1ccc(C(C)C)c(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c1 ZINC000073642437 570664758 /nfs/dbraw/zinc/66/47/58/570664758.db2.gz FRKMGWIXXKEELF-UHFFFAOYSA-N 0 0 381.432 3.871 40 5 GHBBRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222766421 570754229 /nfs/dbraw/zinc/75/42/29/570754229.db2.gz KZJIPOFZDFTFIZ-ROUUACIJSA-N 0 0 380.429 3.852 40 5 GHBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1O ZINC000205680681 570776853 /nfs/dbraw/zinc/77/68/53/570776853.db2.gz MXYVJJQIWVCEDV-CXUHLZMHSA-N 0 0 386.385 3.546 40 5 GHBBRN C[C@@H]1S[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(Cl)cc2)C1=O ZINC000005759334 570944015 /nfs/dbraw/zinc/94/40/15/570944015.db2.gz NCYLDWWWWRCQQZ-HUTHGQBESA-N 0 0 389.820 3.522 40 5 GHBBRN CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000224735806 570958843 /nfs/dbraw/zinc/95/88/43/570958843.db2.gz GXXGMSIBWVYSGZ-UHFFFAOYSA-N 0 0 399.266 3.881 40 5 GHBBRN CCN(c1ccccc1Br)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224747367 570961247 /nfs/dbraw/zinc/96/12/47/570961247.db2.gz FCSIMUZTPGHSED-UHFFFAOYSA-N 0 0 385.239 3.573 40 5 GHBBRN Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 ZINC000007721349 571021624 /nfs/dbraw/zinc/02/16/24/571021624.db2.gz SYEVQEAJHGDDKG-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN CCC(=O)Oc1c(Br)cc(Br)cc1/C=C/[N+](=O)[O-] ZINC000108045886 843350590 /nfs/dbraw/zinc/35/05/90/843350590.db2.gz STZCAWWSEFIFMU-ONEGZZNKSA-N 0 0 379.004 3.774 40 5 GHBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000214206105 855068603 /nfs/dbraw/zinc/06/86/03/855068603.db2.gz ZEAZGWCHJBBAAN-CXUHLZMHSA-N 0 0 388.376 3.979 40 5 GHBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC)c([N+](=O)[O-])c3)N21 ZINC000260772238 859819553 /nfs/dbraw/zinc/81/95/53/859819553.db2.gz MZMYRNYFBHJLEY-XWIAVFTESA-N 0 0 384.461 3.978 40 5 GHBBRN CC[C@H](C)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c1 ZINC000020528907 860596508 /nfs/dbraw/zinc/59/65/08/860596508.db2.gz QFMWTECRJLOYHN-NSHDSACASA-N 0 0 389.364 3.941 40 5 GHBBRN CC(C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccn2)n1 ZINC000328968110 898360669 /nfs/dbraw/zinc/36/06/69/898360669.db2.gz CYEDFSFKCBSHJN-UHFFFAOYSA-N 0 0 384.827 3.508 40 5 GHBBRN CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224965044 898469302 /nfs/dbraw/zinc/46/93/02/898469302.db2.gz OSKQGYFLMWUMMP-UHFFFAOYSA-N 0 0 384.841 3.780 40 5 GHBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000006526549 917131691 /nfs/dbraw/zinc/13/16/91/917131691.db2.gz FBBFVJARJJEPCP-UHFFFAOYSA-N 0 0 381.138 3.623 40 5 GHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000409025903 231148503 /nfs/dbraw/zinc/14/85/03/231148503.db2.gz ZXDRJJFMQWJORM-UHFFFAOYSA-N 0 0 399.472 3.703 40 5 GHBBRN O=[N+]([O-])c1cccc([C@@H](O)c2ccc([C@H](O)c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000504409430 231317561 /nfs/dbraw/zinc/31/75/61/231317561.db2.gz HBGPGBIRLKUOTI-QZTJIDSGSA-N 0 0 386.385 3.728 40 5 GHBBRN COc1cc2sc(NC(=O)COc3ccccc3[N+](=O)[O-])nc2cc1Cl ZINC000006441328 209649865 /nfs/dbraw/zinc/64/98/65/209649865.db2.gz OZZVIOXIUQZQPO-UHFFFAOYSA-N 0 0 393.808 3.884 40 5 GHBBRN CC(C)CNC(=O)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624631 209233012 /nfs/dbraw/zinc/23/30/12/209233012.db2.gz WECGEBVCWAXXJZ-UHFFFAOYSA-N 0 0 399.450 3.743 40 5 biogenic GHBBRN CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000222766533 211809729 /nfs/dbraw/zinc/80/97/29/211809729.db2.gz KZJIPOFZDFTFIZ-ZWKOTPCHSA-N 0 0 380.429 3.852 40 5 GHBBRN COc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000066014107 210999734 /nfs/dbraw/zinc/99/97/34/210999734.db2.gz APRBIXKUUYBNGZ-UHFFFAOYSA-N 0 0 392.411 3.888 40 5 GHBBRN Cc1nccn1-c1ccccc1CNC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000020049889 210314071 /nfs/dbraw/zinc/31/40/71/210314071.db2.gz USDNZAGRICXKJV-UHFFFAOYSA-N 0 0 396.472 3.639 40 5 GHBBRN COc1cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000066013559 136164295 /nfs/dbraw/zinc/16/42/95/136164295.db2.gz WUBMDWJEBIGJFY-UHFFFAOYSA-N 0 0 385.420 3.611 40 5 GHBBRN CCOc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000408536208 528200027 /nfs/dbraw/zinc/20/00/27/528200027.db2.gz QIGLYHWSXDARMT-GLYMIEGHSA-N 0 0 384.344 3.860 40 5 GHBBRN Cc1nnc2sc(-c3ccccc3NC(=O)c3cccc([N+](=O)[O-])c3C)nn12 ZINC000408573822 570384017 /nfs/dbraw/zinc/38/40/17/570384017.db2.gz OMSXKURZZGIIFP-UHFFFAOYSA-N 0 0 394.416 3.630 40 5 GHBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc([N+](=O)[O-])c2)n1-c1cccc(C)c1 ZINC000408573595 570384329 /nfs/dbraw/zinc/38/43/29/570384329.db2.gz TXTAXAIQVQOCSB-KRWDZBQOSA-N 0 0 399.432 3.902 40 5 GHBBRN COc1cccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 ZINC000408626803 570387859 /nfs/dbraw/zinc/38/78/59/570387859.db2.gz ILPIACQFZVMOBH-UHFFFAOYSA-N 0 0 379.825 3.692 40 5 GHBBRN CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000026780260 570806930 /nfs/dbraw/zinc/80/69/30/570806930.db2.gz 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CCn1c2c(s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1)CCc1ccccc1-2 ZINC000408562386 231061740 /nfs/dbraw/zinc/06/17/40/231061740.db2.gz PHBSVBKXFYJRKB-MRCUWXFGSA-N 0 0 379.441 3.984 40 5 GHBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C ZINC000408628219 231088016 /nfs/dbraw/zinc/08/80/16/231088016.db2.gz QZDDJTMGSMIIGB-UHFFFAOYSA-N 0 0 398.488 3.939 40 5 GHBBRN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C ZINC000409135932 231170490 /nfs/dbraw/zinc/17/04/90/231170490.db2.gz REJPFWYDPAYYMF-UHFFFAOYSA-N 0 0 397.460 3.738 40 5 GHBBRN CCC1(CC)C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000224683963 222660141 /nfs/dbraw/zinc/66/01/41/222660141.db2.gz RDZKNEMSYHCOIR-KRWDZBQOSA-N 0 0 390.461 3.956 40 5 GHBBRN O=c1c2ccc3c4c2c(ccc4c(=O)n(-c2ccccc2)c3=O)n1-c1ccccc1 ZINC000000820728 212186143 /nfs/dbraw/zinc/18/61/43/212186143.db2.gz FYGWGJUEGMIZJK-UHFFFAOYSA-N 0 0 390.398 3.684 40 5 GHBBRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000028188597 221667942 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O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902488 230868777 /nfs/dbraw/zinc/86/87/77/230868777.db2.gz FKNDVEHRXFNUAD-FPYGCLRLSA-N 0 0 387.823 3.737 40 5 GHBBRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1=O ZINC000103718937 231013986 /nfs/dbraw/zinc/01/39/86/231013986.db2.gz FUKHWLQVQGIGBO-NSHDSACASA-N 0 0 391.786 3.687 40 5 GHBBRN CC[C@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2ccncc2)n1 ZINC000329024881 212094192 /nfs/dbraw/zinc/09/41/92/212094192.db2.gz PCVRPBNIERQVNT-ZDUSSCGKSA-N 0 0 378.436 3.553 40 5 GHBBRN CC[C@@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2ccccn2)n1 ZINC000328969367 212091103 /nfs/dbraw/zinc/09/11/03/212091103.db2.gz DDRARZCOLOGLFL-CYBMUJFWSA-N 0 0 378.436 3.553 40 5 GHBBRN O=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000860668 220461768 /nfs/dbraw/zinc/46/17/68/220461768.db2.gz UQWRVETVPYIPAA-HNNXBMFYSA-N 0 0 384.866 3.685 40 5 GHBBRN Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)c3ccc(Cl)cc3)ccc12 ZINC000004708648 220751030 /nfs/dbraw/zinc/75/10/30/220751030.db2.gz DQYXQPKWPZCJER-UHFFFAOYSA-N 0 0 384.844 3.642 40 5 GHBBRN Cc1ccccc1C(=O)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl ZINC000072229084 136167606 /nfs/dbraw/zinc/16/76/06/136167606.db2.gz KWBDYUWZSNBQAX-UHFFFAOYSA-N 0 0 375.812 3.646 40 5 GHBBRN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(C)[nH][nH]c1=O ZINC000409081834 533673820 /nfs/dbraw/zinc/67/38/20/533673820.db2.gz ICLLKIJQGLIMCQ-UHFFFAOYSA-N 0 0 395.375 3.509 40 5 GHBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000793706 520478395 /nfs/dbraw/zinc/47/83/95/520478395.db2.gz XSLOHLKYNKARMC-SFHVURJKSA-N 0 0 381.388 3.703 40 5 GHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718428 534837591 /nfs/dbraw/zinc/83/75/91/534837591.db2.gz IQULYZCHPIAJAO-SNVBAGLBSA-N 0 0 394.214 3.893 40 5 GHBBRN CCCc1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)o1 ZINC000007342113 570420535 /nfs/dbraw/zinc/42/05/35/570420535.db2.gz BNEUDIBYWBNCMR-UHFFFAOYSA-N 0 0 386.227 3.668 40 5 GHBBRN Cc1ccc(OCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000224119495 570422515 /nfs/dbraw/zinc/42/25/15/570422515.db2.gz IHGQXXQIAVUREL-UHFFFAOYSA-N 0 0 394.880 3.985 40 5 GHBBRN Cc1c(-c2ccc(C(=O)n3cc(C(N)=O)c4ccccc43)o2)cccc1[N+](=O)[O-] ZINC000226768274 570461570 /nfs/dbraw/zinc/46/15/70/570461570.db2.gz KTDSMGHFMTWGHW-UHFFFAOYSA-N 0 0 389.367 3.905 40 5 GHBBRN CC1CCN(C(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)CC1 ZINC000408993729 570691955 /nfs/dbraw/zinc/69/19/55/570691955.db2.gz FGFAXKGOOZLLCO-UHFFFAOYSA-N 0 0 394.500 3.983 40 5 GHBBRN Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000409053464 570696588 /nfs/dbraw/zinc/69/65/88/570696588.db2.gz CUZLUVBHWKYANZ-UHFFFAOYSA-N 0 0 381.432 3.703 40 5 GHBBRN O=C(c1ccc2[nH]c3nc4ccccc4nc3c2c1)N(CCO)c1ccccc1 ZINC000104754976 842248176 /nfs/dbraw/zinc/24/81/76/842248176.db2.gz HJWBHEXPNBZSEF-UHFFFAOYSA-N 0 0 382.423 3.903 40 5 GHBBRN Cc1cc(I)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000003155800 862219071 /nfs/dbraw/zinc/21/90/71/862219071.db2.gz RJFJTRFEDSTPQZ-UHFFFAOYSA-N 0 0 382.157 3.760 40 5 GHBBRN Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] ZINC000057566185 855505365 /nfs/dbraw/zinc/50/53/65/855505365.db2.gz XHOBYRQNVUTSQF-UHFFFAOYSA-N 0 0 379.372 3.679 40 5 GHBBRN Cc1ccc2cccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)c2n1 ZINC000059294241 862851142 /nfs/dbraw/zinc/85/11/42/862851142.db2.gz CQMGWRFGNUHPPS-UHFFFAOYSA-N 0 0 380.429 3.887 40 5 GHBBRN CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccnc2)n1 ZINC000329018818 898366193 /nfs/dbraw/zinc/36/61/93/898366193.db2.gz NSUNZKFPZHJUMG-GFCCVEGCSA-N 0 0 398.854 3.898 40 5 GHBBRN CC(C)(C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccncc2)n1 ZINC000329062289 898372789 /nfs/dbraw/zinc/37/27/89/898372789.db2.gz WWHPOWLGWZZCEF-UHFFFAOYSA-N 0 0 382.399 3.962 40 5 GHBBRN CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225006088 898574916 /nfs/dbraw/zinc/57/49/16/898574916.db2.gz BSHJTRODFJNGMS-UHFFFAOYSA-N 0 0 399.266 3.881 40 5 GHBBRN Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1-c1ccc(CO)o1 ZINC000020144856 900152318 /nfs/dbraw/zinc/15/23/18/900152318.db2.gz KTAVFPBCCVAGQQ-UHFFFAOYSA-N 0 0 382.372 3.673 40 5 GHBBRN O=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Br)cc1 ZINC000020496215 900168094 /nfs/dbraw/zinc/16/80/94/900168094.db2.gz GHJIYTSJRZGXCX-UHFFFAOYSA-N 0 0 389.165 3.660 40 5 GHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cc(Cl)ccc1Cl ZINC000020611710 900174957 /nfs/dbraw/zinc/17/49/57/900174957.db2.gz XILXOAZQDWJMLD-UHFFFAOYSA-N 0 0 396.230 3.991 40 5 GHBBRN Cc1ccc([C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000030755261 900507694 /nfs/dbraw/zinc/50/76/94/900507694.db2.gz MXQILFGQQNBSEO-FQEVSTJZSA-N 0 0 382.441 3.971 40 5 GHBBRN CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927948 920567772 /nfs/dbraw/zinc/56/77/72/920567772.db2.gz VJICAWZOANESBK-INIZCTEOSA-N 0 0 381.432 3.711 40 5 GHBBRN CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000007928229 920568159 /nfs/dbraw/zinc/56/81/59/920568159.db2.gz WMEFNTGBPBNZMT-MRXNPFEDSA-N 0 0 381.432 3.711 40 5 GHBBRN O=Cc1ccc(Sc2nnc(COc3ccccc3F)o2)c([N+](=O)[O-])c1 ZINC000409385955 231199763 /nfs/dbraw/zinc/19/97/63/231199763.db2.gz OWZPPZDRFSHJPR-UHFFFAOYSA-N 0 0 375.337 3.660 40 5 GHBBRN CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224752318 222662431 /nfs/dbraw/zinc/66/24/31/222662431.db2.gz PGZWCIKAGBKMNX-UHFFFAOYSA-N 0 0 399.266 3.881 40 5 GHBBRN CC(C)OC(=O)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624572 212147938 /nfs/dbraw/zinc/14/79/38/212147938.db2.gz HJBXDWWOQVSTLD-UHFFFAOYSA-N 0 0 386.407 3.922 40 5 biogenic GHBBRN COc1ccc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)c([N+](=O)[O-])c1 ZINC000329050046 212095366 /nfs/dbraw/zinc/09/53/66/212095366.db2.gz USEPRVGJKFFZMF-UHFFFAOYSA-N 0 0 383.452 3.603 40 5 GHBBRN CC[C@@H](C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000329047003 212095034 /nfs/dbraw/zinc/09/50/34/212095034.db2.gz UDSFIWZUEOYDIA-OAHLLOKOSA-N 0 0 377.448 3.718 40 5 GHBBRN Cc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000009199112 221073645 /nfs/dbraw/zinc/07/36/45/221073645.db2.gz WCONXCIRYBQJPU-UHFFFAOYSA-N 0 0 398.444 3.916 40 5 GHBBRN COc1cccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1O ZINC000013546619 221271610 /nfs/dbraw/zinc/27/16/10/221271610.db2.gz FIGGNKGHHWOLDK-OQLLNIDSSA-N 0 0 386.385 3.546 40 5 GHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCCN1CCCc2ccccc21 ZINC000218054815 136203604 /nfs/dbraw/zinc/20/36/04/136203604.db2.gz NWAQTQFLODAROS-UHFFFAOYSA-N 0 0 399.516 3.787 40 5 GHBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 ZINC000106701665 533911851 /nfs/dbraw/zinc/91/18/51/533911851.db2.gz SAEQRAJMEHCBID-IDUWFGFVSA-N 0 0 398.396 3.868 40 5 GHBBRN COc1ccc(NC(=O)/C=C/c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)cc1 ZINC000408528399 534025421 /nfs/dbraw/zinc/02/54/21/534025421.db2.gz DYOXKFYZCCPBHN-BJMVGYQFSA-N 0 0 376.372 3.712 40 5 GHBBRN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408646020 534386477 /nfs/dbraw/zinc/38/64/77/534386477.db2.gz VITGNWCZHRHORY-NSHDSACASA-N 0 0 393.321 3.605 40 5 GHBBRN CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000006158825 570277954 /nfs/dbraw/zinc/27/79/54/570277954.db2.gz UOZLTIVUMHDWDQ-VMPITWQZSA-N 0 0 382.401 3.815 40 5 GHBBRN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000004979689 570385939 /nfs/dbraw/zinc/38/59/39/570385939.db2.gz UDDSAOHHBQLLFQ-HDMKZQKVSA-N 0 0 393.436 3.521 40 5 GHBBRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000408625839 570387637 /nfs/dbraw/zinc/38/76/37/570387637.db2.gz FVNUCGJWYXYIKG-UHFFFAOYSA-N 0 0 386.477 3.876 40 5 GHBBRN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Br ZINC000007363449 570758243 /nfs/dbraw/zinc/75/82/43/570758243.db2.gz PZVAQFUDPLOPEJ-UHFFFAOYSA-N 0 0 385.239 3.775 40 5 GHBBRN Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000044903016 570981282 /nfs/dbraw/zinc/98/12/82/570981282.db2.gz IXICMLIVVWGLSD-FQEVSTJZSA-N 0 0 382.441 3.971 40 5 GHBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1O ZINC000214899354 570994563 /nfs/dbraw/zinc/99/45/63/570994563.db2.gz FYBOWEBMNHZLEL-CXUHLZMHSA-N 0 0 386.385 3.546 40 5 GHBBRN CCOc1ccc(NCCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OCC ZINC000064873700 857307926 /nfs/dbraw/zinc/30/79/26/857307926.db2.gz VNNMMFOLALZVQA-UHFFFAOYSA-N 0 0 397.435 3.832 40 5 GHBBRN O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccc([N+](=O)[O-])cc1 ZINC000059475014 862911369 /nfs/dbraw/zinc/91/13/69/862911369.db2.gz YGRRBWPWGQWAKN-UHFFFAOYSA-N 0 0 379.401 3.771 40 5 GHBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000020137261 860493646 /nfs/dbraw/zinc/49/36/46/860493646.db2.gz WRBOMPDZPGJVBZ-UHFFFAOYSA-N 0 0 382.372 3.537 40 5 GHBBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000218053750 894973168 /nfs/dbraw/zinc/97/31/68/894973168.db2.gz AHKFGCRPGXYNJL-UHFFFAOYSA-N 0 0 398.444 3.537 40 5 GHBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2cccnc2)nc(NC2CCCC2)n1 ZINC000328968050 898360280 /nfs/dbraw/zinc/36/02/80/898360280.db2.gz CXBNKSZZNUCVSX-UHFFFAOYSA-N 0 0 394.410 3.528 40 5 GHBBRN Cc1cc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)ccc1Br ZINC000020456879 900164359 /nfs/dbraw/zinc/16/43/59/900164359.db2.gz CCGBZIGPRKMLJA-UHFFFAOYSA-N 0 0 385.239 3.608 40 5 GHBBRN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1[N+](=O)[O-] ZINC000408641115 231090198 /nfs/dbraw/zinc/09/01/98/231090198.db2.gz KOGIDBZDSGKGEY-CYBMUJFWSA-N 0 0 387.823 3.857 40 5 GHBBRN Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000408637932 231090523 /nfs/dbraw/zinc/09/05/23/231090523.db2.gz AVZIAUKDCFNYOJ-ZDUSSCGKSA-N 0 0 387.823 3.857 40 5 GHBBRN CC[C@H](C)NC(=O)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624290 212148057 /nfs/dbraw/zinc/14/80/57/212148057.db2.gz BNNZZLGTCPGWHM-AWEZNQCLSA-N 0 0 399.450 3.885 40 5 biogenic GHBBRN Cc1c(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000328979552 212092627 /nfs/dbraw/zinc/09/26/27/212092627.db2.gz GGAGHTZCVIRANG-UHFFFAOYSA-N 0 0 390.447 3.697 40 5 GHBBRN COc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn2)cc1 ZINC000408532585 533180957 /nfs/dbraw/zinc/18/09/57/533180957.db2.gz ZYZWPBWNIIAKKM-UHFFFAOYSA-N 0 0 385.763 3.933 40 5 GHBBRN O=Cc1cc([N+](=O)[O-])ccc1SC(=S)N1CCN(c2ccccc2)CC1 ZINC000013574297 221274301 /nfs/dbraw/zinc/27/43/01/221274301.db2.gz ISYGRCFDQIALNV-UHFFFAOYSA-N 0 0 387.486 3.607 40 5 GHBBRN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 ZINC000408629140 533318974 /nfs/dbraw/zinc/31/89/74/533318974.db2.gz ZZJMXKLVMKCJOS-UHFFFAOYSA-N 0 0 379.825 3.692 40 5 GHBBRN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408642397 534346884 /nfs/dbraw/zinc/34/68/84/534346884.db2.gz ONOHPWKFGWSOLU-SNVBAGLBSA-N 0 0 394.214 3.893 40 5 GHBBRN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(OC)c(C)c1 ZINC000223843756 570327160 /nfs/dbraw/zinc/32/71/60/570327160.db2.gz OACXUJHBAAVUQX-MRXNPFEDSA-N 0 0 388.420 3.567 40 5 GHBBRN COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 ZINC000006230140 570343713 /nfs/dbraw/zinc/34/37/13/570343713.db2.gz PRPHWADXCIDHDO-UHFFFAOYSA-N 0 0 385.401 3.988 40 5 GHBBRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006495458 570370901 /nfs/dbraw/zinc/37/09/01/570370901.db2.gz KOICDRAADMWBOX-UHFFFAOYSA-N 0 0 389.824 3.764 40 5 GHBBRN NC(=O)c1cn(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc12 ZINC000226768250 570461540 /nfs/dbraw/zinc/46/15/40/570461540.db2.gz MCWSGUPFJBRBLL-UHFFFAOYSA-N 0 0 375.340 3.597 40 5 GHBBRN Cc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000192706009 570493345 /nfs/dbraw/zinc/49/33/45/570493345.db2.gz VDSCJQUFWSVVIJ-UHFFFAOYSA-N 0 0 383.429 3.690 40 5 GHBBRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000006615782 570504018 /nfs/dbraw/zinc/50/40/18/570504018.db2.gz CDKOCNCTGNSLEJ-UHFFFAOYSA-N 0 0 384.461 3.712 40 5 GHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(I)c1 ZINC000005684504 570806768 /nfs/dbraw/zinc/80/67/68/570806768.db2.gz QGPQMXPZTPQCBN-UHFFFAOYSA-N 0 0 382.157 3.760 40 5 GHBBRN CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(C)cc1 ZINC000014082300 570875467 /nfs/dbraw/zinc/87/54/67/570875467.db2.gz QTPTYUGMMVXFOR-UHFFFAOYSA-N 0 0 397.460 3.912 40 5 GHBBRN CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224768820 570966465 /nfs/dbraw/zinc/96/64/65/570966465.db2.gz CIBUMNYYPXGLOG-UHFFFAOYSA-N 0 0 399.266 3.881 40 5 GHBBRN O=[N+]([O-])c1cccc(-c2n[nH]c(COc3ccc(Br)cc3)n2)c1 ZINC000040169569 856690819 /nfs/dbraw/zinc/69/08/19/856690819.db2.gz UGDFTQGFSPPBQP-UHFFFAOYSA-N 0 0 375.182 3.721 40 5 GHBBRN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1-c1ccc(CO)o1 ZINC000020141029 860496391 /nfs/dbraw/zinc/49/63/91/860496391.db2.gz GNSITWIAGTWENR-UHFFFAOYSA-N 0 0 382.372 3.916 40 5 GHBBRN CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225030577 898587043 /nfs/dbraw/zinc/58/70/43/898587043.db2.gz YWJNBBOKFYGGJR-UHFFFAOYSA-N 0 0 399.266 3.881 40 5 GHBBRN 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398.440 3.671 40 5 GHBBRN O=C(Oc1ccc(C(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003158333 862223603 /nfs/dbraw/zinc/22/36/03/862223603.db2.gz UOCZRPPQBCBPHO-UHFFFAOYSA-N 0 0 392.323 3.953 40 5 GHBBRN COc1ccc(/C=C/C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)cc1 ZINC000010010616 858113835 /nfs/dbraw/zinc/11/38/35/858113835.db2.gz XSLBEGOOPNADNC-VMPITWQZSA-N 0 0 385.401 3.874 40 5 GHBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000020529019 860596340 /nfs/dbraw/zinc/59/63/40/860596340.db2.gz INVJWJNCWGUHHY-UHFFFAOYSA-N 0 0 395.755 3.816 40 5 GHBBRN CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cn1 ZINC000225859841 898812174 /nfs/dbraw/zinc/81/21/74/898812174.db2.gz XZOQKXQJPLSTOQ-UHFFFAOYSA-N 0 0 399.447 3.856 40 5 GHBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 ZINC000020611680 900174484 /nfs/dbraw/zinc/17/44/84/900174484.db2.gz IMGBTLISNNTKSA-UHFFFAOYSA-N 0 0 383.448 3.981 40 5 GHBBRN 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/nfs/dbraw/zinc/16/09/10/534160910.db2.gz AKQWEOWQCZSFDU-WUKNDPDISA-N 0 0 392.483 3.983 40 5 GHBBRN Cc1ccc(-c2nnc(CN(C)C(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 ZINC000408714067 534222196 /nfs/dbraw/zinc/22/21/96/534222196.db2.gz HTGCHPCQQYYHTI-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN O=C(Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(Br)ccc1O ZINC000409392684 534570054 /nfs/dbraw/zinc/57/00/54/534570054.db2.gz RHFFWTSZXBZCPH-UHFFFAOYSA-N 0 0 394.206 3.872 40 5 GHBBRN COc1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000408625658 570387596 /nfs/dbraw/zinc/38/75/96/570387596.db2.gz FDBAXFGFWZSULE-UHFFFAOYSA-N 0 0 381.413 3.883 40 5 GHBBRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000408629105 570387640 /nfs/dbraw/zinc/38/76/40/570387640.db2.gz ZJGSYFPFWSSZSF-UHFFFAOYSA-N 0 0 398.213 3.623 40 5 GHBBRN Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000004996689 570650624 /nfs/dbraw/zinc/65/06/24/570650624.db2.gz ACEPMKAJBMIHHR-CYBMUJFWSA-N 0 0 397.460 3.818 40 5 GHBBRN O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000004618937 570666875 /nfs/dbraw/zinc/66/68/75/570666875.db2.gz JNARMAVHLRLXGF-QGZVFWFLSA-N 0 0 394.412 3.568 40 5 GHBBRN CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000005644255 570678567 /nfs/dbraw/zinc/67/85/67/570678567.db2.gz HNLYFQRGSRVSSB-UHFFFAOYSA-N 0 0 388.855 3.642 40 5 GHBBRN COc1ccc(-c2cnc(CCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c(OC)c1 ZINC000224870038 570992928 /nfs/dbraw/zinc/99/29/28/570992928.db2.gz HUCRYPDEOGFEAD-UHFFFAOYSA-N 0 0 397.387 3.838 40 5 GHBBRN Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 ZINC000007721358 571021790 /nfs/dbraw/zinc/02/17/90/571021790.db2.gz XURHTGZIXUARPT-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN COc1cc(-c2nnc(-c3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)cc(OC)c1OC ZINC000040169674 856690751 /nfs/dbraw/zinc/69/07/51/856690751.db2.gz HTBNVOLCTVXNIT-UHFFFAOYSA-N 0 0 390.783 3.726 40 5 GHBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(C)cc3C)nc21 ZINC000010010660 858113909 /nfs/dbraw/zinc/11/39/09/858113909.db2.gz QFJYSMKVRGFDHQ-UHFFFAOYSA-N 0 0 387.417 3.847 40 5 GHBBRN CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(SC)cc1 ZINC000224988683 898568331 /nfs/dbraw/zinc/56/83/31/898568331.db2.gz XIJBZBACNYKZMF-UHFFFAOYSA-N 0 0 382.463 3.541 40 5 GHBBRN Cc1cccc(-c2nc(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])n[nH]2)c1 ZINC000019927549 900051682 /nfs/dbraw/zinc/05/16/82/900051682.db2.gz USKRNTCKGIPLIG-UHFFFAOYSA-N 0 0 383.433 3.728 40 5 GHBBRN Cc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000217897812 222582813 /nfs/dbraw/zinc/58/28/13/222582813.db2.gz XTPZAIQBGMJVMQ-KPKJPENVSA-N 0 0 378.388 3.625 40 5 GHBBRN O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccccc1[N+](=O)[O-] ZINC000408628602 231088862 /nfs/dbraw/zinc/08/88/62/231088862.db2.gz VGPNCLLWZIGLFQ-UHFFFAOYSA-N 0 0 398.213 3.623 40 5 GHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1Cl ZINC000408638972 231090562 /nfs/dbraw/zinc/09/05/62/231090562.db2.gz DUWHOFGPXOTPQN-ZDUSSCGKSA-N 0 0 387.823 3.857 40 5 GHBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)S2)cc1 ZINC000408786676 529689319 /nfs/dbraw/zinc/68/93/19/529689319.db2.gz UQIQUTQDEAUAAH-DPWKNNTCSA-N 0 0 385.445 3.765 40 5 GHBBRN Cc1c(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cccc1[N+](=O)[O-] ZINC000007759197 221009712 /nfs/dbraw/zinc/00/97/12/221009712.db2.gz HSMNYBVVRMCFJN-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN Cc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] ZINC000007759221 221010126 /nfs/dbraw/zinc/01/01/26/221010126.db2.gz RKROZXLWWUKHDJ-UHFFFAOYSA-N 0 0 386.795 3.879 40 5 GHBBRN C[C@H]1CN(c2c(Br)cc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000226316300 136192663 /nfs/dbraw/zinc/19/26/63/136192663.db2.gz MKHZRQNRGWGETL-YUMQZZPRSA-N 0 0 394.063 3.733 40 5 GHBBRN COc1cc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000066020082 222136641 /nfs/dbraw/zinc/13/66/41/222136641.db2.gz OEHOMEFTKOOAJO-UHFFFAOYSA-N 0 0 386.404 3.942 40 5 GHBBRN COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3Br)oc21 ZINC000073641820 222270702 /nfs/dbraw/zinc/27/07/02/222270702.db2.gz NUDSGUOVVGGHTA-UHFFFAOYSA-N 0 0 377.150 3.952 40 5 GHBBRN O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 ZINC000408628582 534781883 /nfs/dbraw/zinc/78/18/83/534781883.db2.gz VCUAHWNWOPRDFM-UHFFFAOYSA-N 0 0 392.440 3.893 40 5 GHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000071794793 534837723 /nfs/dbraw/zinc/83/77/23/534837723.db2.gz UJNIQQGNOGMQPU-OAHLLOKOSA-N 0 0 375.384 3.740 40 5 GHBBRN CCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225872748 528787774 /nfs/dbraw/zinc/78/77/74/528787774.db2.gz RAJNQMQSUWLWGQ-UHFFFAOYSA-N 0 0 399.447 3.774 40 5 GHBBRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1C ZINC000000830456 570380648 /nfs/dbraw/zinc/38/06/48/570380648.db2.gz XRMOMNPBIOYPTI-UHFFFAOYSA-N 0 0 377.360 3.791 40 5 GHBBRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927932 570432508 /nfs/dbraw/zinc/43/25/08/570432508.db2.gz QNUPEQKFOGCYGX-JTQLQIEISA-N 0 0 394.214 3.893 40 5 GHBBRN Cc1ccc(NC(=O)CN(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000862945 570663860 /nfs/dbraw/zinc/66/38/60/570663860.db2.gz NACLUTKZVNOQBN-UHFFFAOYSA-N 0 0 393.399 3.777 40 5 GHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000014831577 570906398 /nfs/dbraw/zinc/90/63/98/570906398.db2.gz RKSUPUUVCKRNSG-VAWYXSNFSA-N 0 0 379.416 3.873 40 5 GHBBRN CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C ZINC000004108674 570949776 /nfs/dbraw/zinc/94/97/76/570949776.db2.gz UHOQCUJPFQKYCY-UVBSCNOISA-N 0 0 387.436 3.687 40 5 GHBBRN CO[C@H](COC[C@@H](OC)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000604938975 862446354 /nfs/dbraw/zinc/44/63/54/862446354.db2.gz DGVDSTVGIBQGTI-QZTJIDSGSA-N 0 0 376.365 3.595 40 5 GHBBRN CC(C)CNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000069516051 859542776 /nfs/dbraw/zinc/54/27/76/859542776.db2.gz CWZHLVSZPMVCJN-UHFFFAOYSA-N 0 0 375.812 3.886 40 5 GHBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2cccc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000020528605 860596462 /nfs/dbraw/zinc/59/64/62/860596462.db2.gz MQGBZFXRPNUOFP-UHFFFAOYSA-N 0 0 375.337 3.551 40 5 GHBBRN CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000007928230 920568061 /nfs/dbraw/zinc/56/80/61/920568061.db2.gz WMEFNTGBPBNZMT-INIZCTEOSA-N 0 0 381.432 3.711 40 5 GHBBRN CCn1c2cc(NC(=O)c3ccccc3Cl)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408536060 231054392 /nfs/dbraw/zinc/05/43/92/231054392.db2.gz VNMGDOSMKDZUAE-UHFFFAOYSA-N 0 0 388.811 3.657 40 5 GHBBRN CCOc1cc(CO)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000034772901 212161973 /nfs/dbraw/zinc/16/19/73/212161973.db2.gz CUCWFJKWKXNSAG-UHFFFAOYSA-N 0 0 382.210 3.827 40 5 GHBBRN Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)c(C[NH+]3CCC(C(=O)[O-])CC3)n2c1 ZINC000002528893 212146897 /nfs/dbraw/zinc/14/68/97/212146897.db2.gz JOTBWIVVCFIVPL-UHFFFAOYSA-N 0 0 394.431 3.515 40 5 GHBBRN O=C(NC[C@H]1CCCO1)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O ZINC000006624329 212148763 /nfs/dbraw/zinc/14/87/63/212148763.db2.gz ORVPILFMZWKZNY-CQSZACIVSA-N 0 0 397.434 3.501 40 5 biogenic GHBBRN CC[C@H](C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000329034243 212093664 /nfs/dbraw/zinc/09/36/64/212093664.db2.gz QWTGSVWSEDPFII-ZDUSSCGKSA-N 0 0 381.411 3.989 40 5 GHBBRN O=CNc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 ZINC000016431327 221363326 /nfs/dbraw/zinc/36/33/26/221363326.db2.gz JYUATOVAHMEBAG-UHFFFAOYSA-N 0 0 376.375 3.832 40 5 GHBBRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000408622514 533406156 /nfs/dbraw/zinc/40/61/56/533406156.db2.gz PSRNFIMFKKJTHR-UHFFFAOYSA-N 0 0 379.825 3.692 40 5 GHBBRN O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000072229298 136167595 /nfs/dbraw/zinc/16/75/95/136167595.db2.gz KEEOJNLOMGUYHD-UHFFFAOYSA-N 0 0 396.230 3.991 40 5 GHBBRN CC1CCN(c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])CC1 ZINC000019161141 136202388 /nfs/dbraw/zinc/20/23/88/136202388.db2.gz CLAMTBFJVXKSBD-UHFFFAOYSA-N 0 0 384.392 3.992 40 5 GHBBRN CCOC(=O)C1CCN(C(=S)Nc2ccc3nc4ccccc4nc3c2)CC1 ZINC000408975173 528642071 /nfs/dbraw/zinc/64/20/71/528642071.db2.gz IWFPIGWOEWODBF-UHFFFAOYSA-N 0 0 394.500 3.755 40 5 GHBBRN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(OC)c(C)c1 ZINC000223906738 570335320 /nfs/dbraw/zinc/33/53/20/570335320.db2.gz AVXUGGXFRAEAHD-INIZCTEOSA-N 0 0 378.450 3.650 40 5 GHBBRN O=C(N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1ccco1 ZINC000000836605 570381061 /nfs/dbraw/zinc/38/10/61/570381061.db2.gz BEQQBGJATBNVRY-GFCCVEGCSA-N 0 0 379.583 3.693 40 5 GHBBRN COc1cccc(OC)c1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000006458184 570425315 /nfs/dbraw/zinc/42/53/15/570425315.db2.gz JQGGYZWBHYOUOI-UHFFFAOYSA-N 0 0 385.401 3.988 40 5 GHBBRN Cc1ccc(-c2nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000007341968 570831720 /nfs/dbraw/zinc/83/17/20/570831720.db2.gz YMIWIJYNXMLOKJ-UHFFFAOYSA-N 0 0 383.433 3.728 40 5 GHBBRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000028188739 570895117 /nfs/dbraw/zinc/89/51/17/570895117.db2.gz KPUWUSWXVDHUDJ-UHFFFAOYSA-N 0 0 378.797 3.632 40 5 GHBBRN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000060390549 570919503 /nfs/dbraw/zinc/91/95/03/570919503.db2.gz QNPXRJPRSWCMEH-UHFFFAOYSA-N 0 0 396.230 3.991 40 5 GHBBRN CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000047219402 570949449 /nfs/dbraw/zinc/94/94/49/570949449.db2.gz WDWDVVCDNSQSKS-UHFFFAOYSA-N 0 0 375.812 3.983 40 5 GHBBRN CCN(c1ccccc1Br)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224773500 570967871 /nfs/dbraw/zinc/96/78/71/570967871.db2.gz VOOROEZKEDUQIV-UHFFFAOYSA-N 0 0 399.266 3.881 40 5 GHBBRN