smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000525868734 335071168 /nfs/dbraw/zinc/07/11/68/335071168.db2.gz BXUDNHQIGKDXIY-DYVFJYSZSA-N 0 3 316.376 4.844 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000102196734 332917897 /nfs/dbraw/zinc/91/78/97/332917897.db2.gz NZIUHXNDNJKDLD-DOMZBBRYSA-N 0 3 316.426 4.693 20 5 DJBDHN Cc1cc2cc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3C)ccc2[nH]1 ZINC000556913060 331753022 /nfs/dbraw/zinc/75/30/22/331753022.db2.gz PYVZPNAQZDTWPI-AWEZNQCLSA-N 0 3 323.396 4.544 20 5 DJBDHN Cc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])C2CCC2)cc1 ZINC000427551969 332449631 /nfs/dbraw/zinc/44/96/31/332449631.db2.gz ZWYBDVMSAOYHGQ-LJQANCHMSA-N 0 3 310.397 4.534 20 5 DJBDHN C[C@H](N[C@@H]1CCc2c1cccc2Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178649450 333017294 /nfs/dbraw/zinc/01/72/94/333017294.db2.gz LKYHVBIAYCVJQX-APPDUMDISA-N 0 3 316.788 4.586 20 5 DJBDHN C[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649565 333017319 /nfs/dbraw/zinc/01/73/19/333017319.db2.gz NSGGEJBZIHCZFR-APPDUMDISA-N 0 3 316.788 4.586 20 5 DJBDHN CCC[C@H](NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000314044030 333084326 /nfs/dbraw/zinc/08/43/26/333084326.db2.gz FMKVGZXDKNKERW-KRWDZBQOSA-N 0 3 318.804 4.879 20 5 DJBDHN CC(C)(C)C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000390359820 333271649 /nfs/dbraw/zinc/27/16/49/333271649.db2.gz CMYZYZMJUACQGG-QGZVFWFLSA-N 0 3 312.413 4.862 20 5 DJBDHN CC(C)(C)C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000390359819 333271674 /nfs/dbraw/zinc/27/16/74/333271674.db2.gz CMYZYZMJUACQGG-KRWDZBQOSA-N 0 3 312.413 4.862 20 5 DJBDHN Cc1ccc(C)c([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000319687771 333397029 /nfs/dbraw/zinc/39/70/29/333397029.db2.gz BHXZNLPWWJRSEO-HZPDHXFCSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1ccc([C@H](C)N[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000319840297 333412511 /nfs/dbraw/zinc/41/25/11/333412511.db2.gz OFXJWIGUJWZIAN-HNAYVOBHSA-N 0 3 312.413 4.951 20 5 DJBDHN Cc1ccc([C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000531688617 333545022 /nfs/dbraw/zinc/54/50/22/333545022.db2.gz RGMBLIBQOFPJMP-AUUYWEPGSA-N 0 3 310.397 4.705 20 5 DJBDHN Cc1cc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000531943718 334299841 /nfs/dbraw/zinc/29/98/41/334299841.db2.gz IDKYCIJQCYMOMZ-OLZOCXBDSA-N 0 3 318.442 4.993 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1cccs1)C1CC1 ZINC000531944246 334300135 /nfs/dbraw/zinc/30/01/35/334300135.db2.gz NDMXRIKZSRHPSR-SJCJKPOMSA-N 0 3 316.426 4.767 20 5 DJBDHN C[C@@H](N[C@H](c1ccccc1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000531960959 334317000 /nfs/dbraw/zinc/31/70/00/334317000.db2.gz JYSBCQMFMQLZFB-AUUYWEPGSA-N 0 3 310.397 4.787 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000049159201 334322996 /nfs/dbraw/zinc/32/29/96/334322996.db2.gz UVNXDXDXINMCTR-CHWSQXEVSA-N 0 3 304.415 4.685 20 5 DJBDHN CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000049529261 334345395 /nfs/dbraw/zinc/34/53/95/334345395.db2.gz UJFHJSOWYVDRCK-GXTWGEPZSA-N 0 3 304.415 4.767 20 5 DJBDHN Cc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000443995655 338466068 /nfs/dbraw/zinc/46/60/68/338466068.db2.gz RKBBKOHDZJPIIZ-ZDUSSCGKSA-N 0 3 318.804 4.716 20 5 DJBDHN Cc1ccc([C@H](C)N[C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000192796419 336262192 /nfs/dbraw/zinc/26/21/92/336262192.db2.gz ZJRDIPLTXMBNQA-IFXJQAMLSA-N 0 3 310.397 4.705 20 5 DJBDHN C[C@@H](N[C@H]1CCCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000321648334 337281514 /nfs/dbraw/zinc/28/15/14/337281514.db2.gz QIMRGDXMAVYFSG-KUHUBIRLSA-N 0 3 310.397 4.713 20 5 DJBDHN C[C@H](NCc1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000321946716 337306689 /nfs/dbraw/zinc/30/66/89/337306689.db2.gz GFSFVVGDKXWYQA-AWEZNQCLSA-N 0 3 312.413 4.743 20 5 DJBDHN C[C@H](NCc1csc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000536805801 337394705 /nfs/dbraw/zinc/39/47/05/337394705.db2.gz KKCCTDPHSMZYDQ-LBPRGKRZSA-N 0 3 312.394 4.660 20 5 DJBDHN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536825197 337604058 /nfs/dbraw/zinc/60/40/58/337604058.db2.gz FNAMVLXVVSUIPP-RDTXWAMCSA-N 0 3 310.397 4.550 20 5 DJBDHN CCc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000536911382 337847760 /nfs/dbraw/zinc/84/77/60/337847760.db2.gz VDOXPSDTLXNVSO-STQMWFEESA-N 0 3 318.442 4.939 20 5 DJBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)C1CC1)CCC2 ZINC000447533160 338554695 /nfs/dbraw/zinc/55/46/95/338554695.db2.gz ZJDBCXZGGXAZEQ-UXHICEINSA-N 0 3 322.408 4.713 20 5 DJBDHN C[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000451118662 338721925 /nfs/dbraw/zinc/72/19/25/338721925.db2.gz YBPKHZBNQVEDTH-KGLIPLIRSA-N 0 3 310.397 4.884 20 5 DJBDHN C[C@H](N[C@@H]1CC[C@@H](C)c2ccsc21)c1ccc([N+](=O)[O-])cc1 ZINC000453230638 338811287 /nfs/dbraw/zinc/81/12/87/338811287.db2.gz SGZQAMKNLUENSB-BFQNTYOBSA-N 0 3 316.426 4.946 20 5 DJBDHN Cc1c([C@@H](C)N[C@@H](c2cccs2)C2CC2)cccc1[N+](=O)[O-] ZINC000480241487 339564717 /nfs/dbraw/zinc/56/47/17/339564717.db2.gz PBMWJKICRMFFNW-SJKOYZFVSA-N 0 3 316.426 4.767 20 5 DJBDHN CCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccc(F)cc1 ZINC000507719512 340229422 /nfs/dbraw/zinc/22/94/22/340229422.db2.gz SVMQYIQAJUSLON-AWEZNQCLSA-N 0 3 316.376 4.625 20 5 DJBDHN Cc1ccc(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000513085661 340392729 /nfs/dbraw/zinc/39/27/29/340392729.db2.gz FETHCDNJJATDFR-UHFFFAOYSA-N 0 3 312.413 4.625 20 5 DJBDHN Cc1oc2ccccc2c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000185047177 340497565 /nfs/dbraw/zinc/49/75/65/340497565.db2.gz WVIIALUZEQKQBB-LBPRGKRZSA-N 0 3 310.353 4.500 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc2ccccc21 ZINC000538299212 340816879 /nfs/dbraw/zinc/81/68/79/340816879.db2.gz ULWZPYOUZJHLML-HNNXBMFYSA-N 0 3 320.392 4.907 20 5 DJBDHN CC[C@H](N[C@H]1CCc2cc(C)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000540139254 340916171 /nfs/dbraw/zinc/91/61/71/340916171.db2.gz PJKVHUSZYPALJZ-OALUTQOASA-N 0 3 310.397 4.631 20 5 DJBDHN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540179569 340921027 /nfs/dbraw/zinc/92/10/27/340921027.db2.gz XLMKWJBCDVFVKB-KUHUBIRLSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540179319 340921070 /nfs/dbraw/zinc/92/10/70/340921070.db2.gz QTVNWMVRIBHHTJ-KSSFIOAISA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCc2sccc21 ZINC000545235846 341116326 /nfs/dbraw/zinc/11/63/26/341116326.db2.gz PYWXCECEIUBMRL-LRDDRELGSA-N 0 3 316.426 4.693 20 5 DJBDHN CCC[C@H](N[C@H](CC)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000546165330 341155481 /nfs/dbraw/zinc/15/54/81/341155481.db2.gz DZTACNIHEOJEJJ-OCCSQVGLSA-N 0 3 318.339 4.757 20 5 DJBDHN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000079723734 341264601 /nfs/dbraw/zinc/26/46/01/341264601.db2.gz XMDOEPDYJWKGCB-YVEFUNNKSA-N 0 3 302.349 4.536 20 5 DJBDHN C[C@@H](NCc1cc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000556218033 341497722 /nfs/dbraw/zinc/49/77/22/341497722.db2.gz PIBDBDQWNSDBAF-GFCCVEGCSA-N 0 3 312.394 4.660 20 5 DJBDHN C[C@@H](NCc1ccc2sccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000577564343 341918076 /nfs/dbraw/zinc/91/80/76/341918076.db2.gz AZJCMZURLZRKFB-GFCCVEGCSA-N 0 3 312.394 4.660 20 5 DJBDHN Cc1c(CNCc2ccc(C(C)(C)C)s2)cccc1[N+](=O)[O-] ZINC000318086960 332598200 /nfs/dbraw/zinc/59/82/00/332598200.db2.gz SZFNTFXBZLYENV-UHFFFAOYSA-N 0 3 318.442 4.552 20 5 DJBDHN CC(C)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000390683023 333314916 /nfs/dbraw/zinc/31/49/16/333314916.db2.gz VBIZNRKHOGCWBU-ACJLOTCBSA-N 0 3 316.376 4.782 20 5 DJBDHN CC(C)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000390683026 333314977 /nfs/dbraw/zinc/31/49/77/333314977.db2.gz VBIZNRKHOGCWBU-UGSOOPFHSA-N 0 3 316.376 4.782 20 5 DJBDHN CC(C)[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000319770429 333403593 /nfs/dbraw/zinc/40/35/93/333403593.db2.gz XEOIGLRCYHPCOU-UGSOOPFHSA-N 0 3 316.376 4.782 20 5 DJBDHN Cc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000541767996 333811516 /nfs/dbraw/zinc/81/15/16/333811516.db2.gz BADLDIXYCBHVRA-ZDUSSCGKSA-N 0 3 318.804 4.716 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCc2ccccc21 ZINC000532442733 336247678 /nfs/dbraw/zinc/24/76/78/336247678.db2.gz URIJFDGNIZUSGY-IFXJQAMLSA-N 0 3 310.397 4.631 20 5 DJBDHN CSc1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192756287 336260491 /nfs/dbraw/zinc/26/04/91/336260491.db2.gz DJIBSZJAHXBMOK-STQMWFEESA-N 0 3 316.426 4.729 20 5 DJBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000321549385 337276160 /nfs/dbraw/zinc/27/61/60/337276160.db2.gz VWGSYQKOEQUOST-UONOGXRCSA-N 0 3 316.376 4.763 20 5 DJBDHN C[C@@H](NCc1csc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000536805786 337394647 /nfs/dbraw/zinc/39/46/47/337394647.db2.gz KKCCTDPHSMZYDQ-GFCCVEGCSA-N 0 3 312.394 4.660 20 5 DJBDHN Cc1cc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1F ZINC000536807228 337394726 /nfs/dbraw/zinc/39/47/26/337394726.db2.gz RQOZZYHECDKSNL-ZIAGYGMSSA-N 0 3 316.376 4.763 20 5 DJBDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000426292694 338024926 /nfs/dbraw/zinc/02/49/26/338024926.db2.gz OYWSIKYOLAGXKY-IFXJQAMLSA-N 0 3 310.397 4.631 20 5 DJBDHN Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447530386 338554485 /nfs/dbraw/zinc/55/44/85/338554485.db2.gz MNMJXHOHBIASAQ-WOJBJXKFSA-N 0 3 322.408 4.558 20 5 DJBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000194782993 338750536 /nfs/dbraw/zinc/75/05/36/338750536.db2.gz MXOLDDFDSRUFOP-AWEZNQCLSA-N 0 3 306.365 4.599 20 5 DJBDHN C[C@H](N[C@H]1CC[C@H](C)c2ccsc21)c1ccc([N+](=O)[O-])cc1 ZINC000453230640 338811344 /nfs/dbraw/zinc/81/13/44/338811344.db2.gz SGZQAMKNLUENSB-MKBNYLNASA-N 0 3 316.426 4.946 20 5 DJBDHN CCc1ccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000453251329 338814274 /nfs/dbraw/zinc/81/42/74/338814274.db2.gz ZJEFYLNABGOKST-RYUDHWBXSA-N 0 3 304.415 4.631 20 5 DJBDHN Cc1[nH]c2ccc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)cc2c1C ZINC000467841689 339247402 /nfs/dbraw/zinc/24/74/02/339247402.db2.gz AWXWDJXWEZXXTA-CQSZACIVSA-N 0 3 323.396 4.544 20 5 DJBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(Cl)s1 ZINC000468641660 339267821 /nfs/dbraw/zinc/26/78/21/339267821.db2.gz LZDPTHSEZVXUAQ-XFFZJAGNSA-N 0 3 322.817 4.503 20 5 DJBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@H](C)c1cccs1 ZINC000470176645 339312988 /nfs/dbraw/zinc/31/29/88/339312988.db2.gz XRJGWFYNMRGVOG-JWAFFJSPSA-N 0 3 316.426 4.753 20 5 DJBDHN Cc1cc2[nH]c(CN[C@H](C)c3cccc([N+](=O)[O-])c3)cc2c(C)c1 ZINC000479547135 339540477 /nfs/dbraw/zinc/54/04/77/339540477.db2.gz BDLXUVWBXRNMOM-CQSZACIVSA-N 0 3 323.396 4.544 20 5 DJBDHN Cc1cc2[nH]c(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2c(C)c1 ZINC000479547134 339540547 /nfs/dbraw/zinc/54/05/47/339540547.db2.gz BDLXUVWBXRNMOM-AWEZNQCLSA-N 0 3 323.396 4.544 20 5 DJBDHN CCC[C@H](NCc1ccc(F)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000480255342 339565624 /nfs/dbraw/zinc/56/56/24/339565624.db2.gz BPIHLTBYWOXPLU-SFHVURJKSA-N 0 3 316.376 4.673 20 5 DJBDHN Cc1[nH]c2ccc(CN[C@H](C)c3ccc([N+](=O)[O-])cc3)cc2c1C ZINC000481412269 339603683 /nfs/dbraw/zinc/60/36/83/339603683.db2.gz GCWDLENYWDOWSO-CQSZACIVSA-N 0 3 323.396 4.544 20 5 DJBDHN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000504900160 340155270 /nfs/dbraw/zinc/15/52/70/340155270.db2.gz SAQYCBRCIPNFSF-QWQRMKEZSA-N 0 3 310.397 4.802 20 5 DJBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]1c1cccs1 ZINC000506112054 340185948 /nfs/dbraw/zinc/18/59/48/340185948.db2.gz GJLYNYHLMXJHEP-QTONRWBISA-N 0 3 314.410 4.507 20 5 DJBDHN O=[N+]([O-])c1ccccc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000507928611 340236061 /nfs/dbraw/zinc/23/60/61/340236061.db2.gz DOSYKGBDTOZRNY-IBGZPJMESA-N 0 3 310.397 4.616 20 5 DJBDHN C[C@@H](N[C@H]1CCc2c1cccc2Cl)c1cccc([N+](=O)[O-])c1 ZINC000173361816 340363304 /nfs/dbraw/zinc/36/33/04/340363304.db2.gz FBVFGPRKBKWHKZ-DIFFPNOSSA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537941191 340792063 /nfs/dbraw/zinc/79/20/63/340792063.db2.gz KRBGUPVJONHBIH-KDOFPFPSSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc2ccccc2c1 ZINC000539047919 340867202 /nfs/dbraw/zinc/86/72/02/340867202.db2.gz XCEAUUTVQKKOIG-OAHLLOKOSA-N 0 3 320.392 4.907 20 5 DJBDHN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540179317 340920989 /nfs/dbraw/zinc/92/09/89/340920989.db2.gz QTVNWMVRIBHHTJ-KDOFPFPSSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540179570 340921060 /nfs/dbraw/zinc/92/10/60/340921060.db2.gz XLMKWJBCDVFVKB-LIRRHRJNSA-N 0 3 310.397 4.550 20 5 DJBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000079723729 341264526 /nfs/dbraw/zinc/26/45/26/341264526.db2.gz XMDOEPDYJWKGCB-SJCJKPOMSA-N 0 3 302.349 4.536 20 5 DJBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c2ccccc21 ZINC000551063138 341330684 /nfs/dbraw/zinc/33/06/84/341330684.db2.gz KWVDTICFMWOFOF-ZDUSSCGKSA-N 0 3 324.355 4.738 20 5 DJBDHN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000552905518 341408440 /nfs/dbraw/zinc/40/84/40/341408440.db2.gz HFTAUVAMFXROLV-QWQRMKEZSA-N 0 3 310.397 4.802 20 5 DJBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000019995580 182175461 /nfs/dbraw/zinc/17/54/61/182175461.db2.gz QRMVPIIJCUGLII-VXGBXAGGSA-N 0 3 304.777 4.660 20 5 DJBDHN CC[C@H](N[C@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000090918490 331917763 /nfs/dbraw/zinc/91/77/63/331917763.db2.gz HSTAMSJLYNSWDV-HOTGVXAUSA-N 0 3 316.426 4.775 20 5 DJBDHN CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000531205110 333330711 /nfs/dbraw/zinc/33/07/11/333330711.db2.gz WRUIZTWMXOJKTK-SUMWQHHRSA-N 0 3 316.376 4.844 20 5 DJBDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186842570 333379630 /nfs/dbraw/zinc/37/96/30/333379630.db2.gz AXVMSVIXLWDSJS-PXAZEXFGSA-N 0 3 302.349 4.536 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000319840296 333412347 /nfs/dbraw/zinc/41/23/47/333412347.db2.gz OFXJWIGUJWZIAN-DNVCBOLYSA-N 0 3 312.413 4.951 20 5 DJBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000049159191 334322941 /nfs/dbraw/zinc/32/29/41/334322941.db2.gz UVNXDXDXINMCTR-OLZOCXBDSA-N 0 3 304.415 4.685 20 5 DJBDHN CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000049529263 334345299 /nfs/dbraw/zinc/34/52/99/334345299.db2.gz UJFHJSOWYVDRCK-TZMCWYRMSA-N 0 3 304.415 4.767 20 5 DJBDHN CSc1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192756309 336260493 /nfs/dbraw/zinc/26/04/93/336260493.db2.gz DJIBSZJAHXBMOK-QWHCGFSZSA-N 0 3 316.426 4.729 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000192796374 336262266 /nfs/dbraw/zinc/26/22/66/336262266.db2.gz ZJRDIPLTXMBNQA-KUHUBIRLSA-N 0 3 310.397 4.705 20 5 DJBDHN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000321075740 337194408 /nfs/dbraw/zinc/19/44/08/337194408.db2.gz QMTAISFRMFNCQB-JKSUJKDBSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1cc(C)c([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000321075735 337194492 /nfs/dbraw/zinc/19/44/92/337194492.db2.gz QMTAISFRMFNCQB-CVEARBPZSA-N 0 3 312.413 4.932 20 5 DJBDHN C[C@@H](N[C@@H]1CCCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000321648332 337281535 /nfs/dbraw/zinc/28/15/35/337281535.db2.gz QIMRGDXMAVYFSG-AUUYWEPGSA-N 0 3 310.397 4.713 20 5 DJBDHN C[C@@H](NCc1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000321946733 337306724 /nfs/dbraw/zinc/30/67/24/337306724.db2.gz GFSFVVGDKXWYQA-CQSZACIVSA-N 0 3 312.413 4.743 20 5 DJBDHN CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000536911381 337847812 /nfs/dbraw/zinc/84/78/12/337847812.db2.gz VDOXPSDTLXNVSO-QWHCGFSZSA-N 0 3 318.442 4.939 20 5 DJBDHN CCSc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000426333735 338027555 /nfs/dbraw/zinc/02/75/55/338027555.db2.gz JCHDERMUYAMESU-CYBMUJFWSA-N 0 3 316.426 4.558 20 5 DJBDHN CC[C@@H](N[C@@H](CC(F)(F)F)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000437071804 338299288 /nfs/dbraw/zinc/29/92/88/338299288.db2.gz AOUNGXRXMKPFCJ-KGLIPLIRSA-N 0 3 318.339 4.613 20 5 DJBDHN Cc1c([C@H](C)N[C@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000437092441 338300479 /nfs/dbraw/zinc/30/04/79/338300479.db2.gz MCMNNGTTXSAMRG-WCQYABFASA-N 0 3 318.339 4.531 20 5 DJBDHN Cc1c(CN[C@@H]2CC[C@@H](C)c3ccsc32)cccc1[N+](=O)[O-] ZINC000453209495 338808262 /nfs/dbraw/zinc/80/82/62/338808262.db2.gz LLNMPEUCXMGPHZ-IAQYHMDHSA-N 0 3 316.426 4.693 20 5 DJBDHN Cc1ccccc1[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000467863679 339248017 /nfs/dbraw/zinc/24/80/17/339248017.db2.gz MAIQEBKHUUHRIY-KXBFYZLASA-N 0 3 312.413 4.951 20 5 DJBDHN Cc1ccc([C@H](C)N[C@H](c2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000480233069 339564285 /nfs/dbraw/zinc/56/42/85/339564285.db2.gz PIPJQZGRWMHXHX-SJCJKPOMSA-N 0 3 316.426 4.767 20 5 DJBDHN Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000492849870 339910570 /nfs/dbraw/zinc/91/05/70/339910570.db2.gz DTCJHRQQDRXFFI-CVEARBPZSA-N 0 3 312.413 4.932 20 5 DJBDHN CC[C@@H](NCc1cc(Cl)cs1)c1cccc([N+](=O)[O-])c1 ZINC000193139508 340572848 /nfs/dbraw/zinc/57/28/48/340572848.db2.gz HOTNBPLCXCDBLR-CQSZACIVSA-N 0 3 310.806 4.551 20 5 DJBDHN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537941193 340792084 /nfs/dbraw/zinc/79/20/84/340792084.db2.gz KRBGUPVJONHBIH-RDTXWAMCSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000544897199 341098236 /nfs/dbraw/zinc/09/82/36/341098236.db2.gz BKKYKTKXBLWCBV-CVEARBPZSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000544898934 341098456 /nfs/dbraw/zinc/09/84/56/341098456.db2.gz YLOKIVCECNERBS-HOTGVXAUSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1c([C@@H](C)N[C@H]2CCCc3sccc32)cccc1[N+](=O)[O-] ZINC000134966795 341227483 /nfs/dbraw/zinc/22/74/83/341227483.db2.gz VNGPUUBHLOPDJQ-DOMZBBRYSA-N 0 3 316.426 4.693 20 5 DJBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000019995576 182175667 /nfs/dbraw/zinc/17/56/67/182175667.db2.gz QRMVPIIJCUGLII-RYUDHWBXSA-N 0 3 304.777 4.660 20 5 DJBDHN Cc1ccc([C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])cc1C ZINC000518826219 335020945 /nfs/dbraw/zinc/02/09/45/335020945.db2.gz MRQMDYNVCYCCGR-GOSISDBHSA-N 0 3 310.397 4.549 20 5 DJBDHN C[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000173361391 332828054 /nfs/dbraw/zinc/82/80/54/332828054.db2.gz LNDVCBZJMVVSFO-DIFFPNOSSA-N 0 3 316.788 4.586 20 5 DJBDHN CC[C@H](N[C@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090068688 331978060 /nfs/dbraw/zinc/97/80/60/331978060.db2.gz XAORRNDQSPWKMN-PXAZEXFGSA-N 0 3 302.349 4.536 20 5 DJBDHN CCC[C@@H](NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000314044032 333084333 /nfs/dbraw/zinc/08/43/33/333084333.db2.gz FMKVGZXDKNKERW-QGZVFWFLSA-N 0 3 318.804 4.879 20 5 DJBDHN Cc1ccc([C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000390962641 333411638 /nfs/dbraw/zinc/41/16/38/333411638.db2.gz LIAOCCMNOGMDQS-LIRRHRJNSA-N 0 3 310.397 4.705 20 5 DJBDHN C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000442986910 338440922 /nfs/dbraw/zinc/44/09/22/338440922.db2.gz BQLZDDFOPRYHKB-DEBLGDTFSA-N 0 3 322.364 4.705 20 5 DJBDHN CC[C@@H](N[C@@H](C)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000049159401 334322895 /nfs/dbraw/zinc/32/28/95/334322895.db2.gz XUSDCNJCJHBXAD-SWLSCSKDSA-N 0 3 304.415 4.767 20 5 DJBDHN CC[C@H](NCc1ccc(C)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000443983320 338465406 /nfs/dbraw/zinc/46/54/06/338465406.db2.gz CMCJNGDXEHMHOD-KRWDZBQOSA-N 0 3 318.804 4.798 20 5 DJBDHN Cc1cc(C)c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000532498730 336250290 /nfs/dbraw/zinc/25/02/90/336250290.db2.gz CKSLPMPHVAXKSS-INIZCTEOSA-N 0 3 312.413 4.679 20 5 DJBDHN C[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433149355 338183099 /nfs/dbraw/zinc/18/30/99/338183099.db2.gz ISLOWJWATIUGKT-FZKQIMNGSA-N 0 3 310.397 4.668 20 5 DJBDHN CC[C@H](N[C@H](CC(F)(F)F)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000437071805 338299202 /nfs/dbraw/zinc/29/92/02/338299202.db2.gz AOUNGXRXMKPFCJ-UONOGXRCSA-N 0 3 318.339 4.613 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000437098964 338300961 /nfs/dbraw/zinc/30/09/61/338300961.db2.gz YAZXBMRTBWPASX-DGCLKSJQSA-N 0 3 318.339 4.531 20 5 DJBDHN O=[N+]([O-])c1ccccc1CNC1(c2ccccc2)CCCCC1 ZINC000440914699 338399915 /nfs/dbraw/zinc/39/99/15/338399915.db2.gz NRGPIHWTBDIMFV-UHFFFAOYSA-N 0 3 310.397 4.544 20 5 DJBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCCc3ccccc31)CCC2 ZINC000447517810 338553605 /nfs/dbraw/zinc/55/36/05/338553605.db2.gz UMFONYNIDNPXON-WOJBJXKFSA-N 0 3 322.408 4.639 20 5 DJBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H](c1ccccc1)C1CC1)CCC2 ZINC000447533164 338554697 /nfs/dbraw/zinc/55/46/97/338554697.db2.gz ZJDBCXZGGXAZEQ-WOJBJXKFSA-N 0 3 322.408 4.713 20 5 DJBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(Cl)s1 ZINC000468641661 339267846 /nfs/dbraw/zinc/26/78/46/339267846.db2.gz LZDPTHSEZVXUAQ-YRNVUSSQSA-N 0 3 322.817 4.503 20 5 DJBDHN CCC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000478499521 339516707 /nfs/dbraw/zinc/51/67/07/339516707.db2.gz KROOKXDUHFOGEO-OAHLLOKOSA-N 0 3 304.415 4.596 20 5 DJBDHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000490247904 339829411 /nfs/dbraw/zinc/82/94/11/339829411.db2.gz OYWSIKYOLAGXKY-LIRRHRJNSA-N 0 3 310.397 4.631 20 5 DJBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1c1cccs1 ZINC000506112045 340185979 /nfs/dbraw/zinc/18/59/79/340185979.db2.gz GJLYNYHLMXJHEP-LERPRCHQSA-N 0 3 314.410 4.507 20 5 DJBDHN Cc1ccc(CN[C@H](c2ccccc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000237752429 340673721 /nfs/dbraw/zinc/67/37/21/340673721.db2.gz ZLZPNTTWSJARNP-GOSISDBHSA-N 0 3 312.413 4.780 20 5 DJBDHN CSc1ccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000315640779 340676057 /nfs/dbraw/zinc/67/60/57/340676057.db2.gz ZCITXCLBZQUDJC-QWHCGFSZSA-N 0 3 316.426 4.729 20 5 DJBDHN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539042162 340866454 /nfs/dbraw/zinc/86/64/54/340866454.db2.gz VWDQSIKVVRPIQH-KUHUBIRLSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCc2sccc21 ZINC000545235845 341116345 /nfs/dbraw/zinc/11/63/45/341116345.db2.gz PYWXCECEIUBMRL-BLLLJJGKSA-N 0 3 316.426 4.693 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCc2sccc21 ZINC000545235848 341116361 /nfs/dbraw/zinc/11/63/61/341116361.db2.gz PYWXCECEIUBMRL-WBMJQRKESA-N 0 3 316.426 4.693 20 5 DJBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000550620375 341319585 /nfs/dbraw/zinc/31/95/85/341319585.db2.gz ZWQWLNIWSXNHNG-KBPBESRZSA-N 0 3 310.397 4.884 20 5 DJBDHN C[C@@H](NCc1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000550857312 341324662 /nfs/dbraw/zinc/32/46/62/341324662.db2.gz RJTJBABFGBJOMD-GFCCVEGCSA-N 0 3 312.394 4.660 20 5 DJBDHN Cc1cc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc(C)c1F ZINC000553010405 341412964 /nfs/dbraw/zinc/41/29/64/341412964.db2.gz HWHDMVLYAKZDLE-CQSZACIVSA-N 0 3 316.376 4.510 20 5 DJBDHN CC[C@H](NCc1cccc(C(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000275785216 535919162 /nfs/dbraw/zinc/91/91/62/535919162.db2.gz WODHSBVCSMIYIG-INIZCTEOSA-N 0 3 320.339 4.773 20 5 DJBDHN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000019995584 182175646 /nfs/dbraw/zinc/17/56/46/182175646.db2.gz QRMVPIIJCUGLII-NWDGAFQWSA-N 0 3 304.777 4.660 20 5 DJBDHN Cc1cccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1C ZINC000531711319 333549289 /nfs/dbraw/zinc/54/92/89/333549289.db2.gz OROCDDDYXIRKPD-HZPDHXFCSA-N 0 3 312.413 4.932 20 5 DJBDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000531960962 334317141 /nfs/dbraw/zinc/31/71/41/334317141.db2.gz JYSBCQMFMQLZFB-KUHUBIRLSA-N 0 3 310.397 4.787 20 5 DJBDHN CC[C@H](NCc1ccc2occc2c1)c1cccc([N+](=O)[O-])c1 ZINC000352758500 336235242 /nfs/dbraw/zinc/23/52/42/336235242.db2.gz YYBLFYCPKLMQAE-KRWDZBQOSA-N 0 3 310.353 4.582 20 5 DJBDHN Cc1cc(C)c(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000532498734 336250312 /nfs/dbraw/zinc/25/03/12/336250312.db2.gz CKSLPMPHVAXKSS-MRXNPFEDSA-N 0 3 312.413 4.679 20 5 DJBDHN CC[C@@H](NCc1ccc2[nH]c(C)cc2c1)c1cccc([N+](=O)[O-])c1 ZINC000353818477 336442343 /nfs/dbraw/zinc/44/23/43/336442343.db2.gz HTMODQHLGDFQAT-GOSISDBHSA-N 0 3 323.396 4.625 20 5 DJBDHN C[C@H](N[C@H]1CCCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000321648335 337281462 /nfs/dbraw/zinc/28/14/62/337281462.db2.gz QIMRGDXMAVYFSG-LIRRHRJNSA-N 0 3 310.397 4.713 20 5 DJBDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000584420238 337323550 /nfs/dbraw/zinc/32/35/50/337323550.db2.gz CUQKMOBMGQNZAZ-BZNIZROVSA-N 0 3 316.788 4.586 20 5 DJBDHN C[C@@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000322132114 337562483 /nfs/dbraw/zinc/56/24/83/337562483.db2.gz YVOZDBSXTWHVQA-PJIJBLCYSA-N 0 3 310.397 4.884 20 5 DJBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000432978042 338175143 /nfs/dbraw/zinc/17/51/43/338175143.db2.gz QGAYVQXWCDQSCT-DOMZBBRYSA-N 0 3 302.399 4.554 20 5 DJBDHN Cc1cc(Cl)ccc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000463739998 339125189 /nfs/dbraw/zinc/12/51/89/339125189.db2.gz RFSZTAYHZBWVJX-UHFFFAOYSA-N 0 3 318.804 4.582 20 5 DJBDHN Cc1[nH]c2ccc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2c1C ZINC000467841688 339247377 /nfs/dbraw/zinc/24/73/77/339247377.db2.gz AWXWDJXWEZXXTA-AWEZNQCLSA-N 0 3 323.396 4.544 20 5 DJBDHN Cc1c([C@H](C)N[C@H](C)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000479869086 339551648 /nfs/dbraw/zinc/55/16/48/339551648.db2.gz VTCCCIAQTZXRRX-OLZOCXBDSA-N 0 3 318.804 4.968 20 5 DJBDHN Cc1ccccc1[C@H](CC(C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000489104844 339801906 /nfs/dbraw/zinc/80/19/06/339801906.db2.gz XYCRHOHXBDGPFQ-IBGZPJMESA-N 0 3 312.413 4.780 20 5 DJBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000500492894 340060533 /nfs/dbraw/zinc/06/05/33/340060533.db2.gz CHDATIIZFSUEIC-GOSISDBHSA-N 0 3 316.376 4.529 20 5 DJBDHN C[C@@H](N[C@@H](C)c1cc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000537918975 340775546 /nfs/dbraw/zinc/77/55/46/340775546.db2.gz YVNYCEMGYZFIOB-NEPJUHHUSA-N 0 3 316.426 4.557 20 5 DJBDHN Cc1ccc2ccccc2c1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000538228088 340814123 /nfs/dbraw/zinc/81/41/23/340814123.db2.gz ODTBUMYVYUZXAB-OAHLLOKOSA-N 0 3 320.392 4.907 20 5 DJBDHN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000544606932 341088499 /nfs/dbraw/zinc/08/84/99/341088499.db2.gz NGRVAQDRPLMHFA-CYBMUJFWSA-N 0 3 318.804 4.716 20 5 DJBDHN CC[C@H](CC(F)(F)F)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000546879112 341185158 /nfs/dbraw/zinc/18/51/58/341185158.db2.gz TYCDTXLUTHWIEI-GFCCVEGCSA-N 0 3 318.339 4.539 20 5 DJBDHN C[C@H](NCc1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000550857313 341324733 /nfs/dbraw/zinc/32/47/33/341324733.db2.gz RJTJBABFGBJOMD-LBPRGKRZSA-N 0 3 312.394 4.660 20 5 DJBDHN Cc1cc(Cl)cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000559282067 332014675 /nfs/dbraw/zinc/01/46/75/332014675.db2.gz BSOVSJGDOLZRHL-UHFFFAOYSA-N 0 3 318.804 4.582 20 5 DJBDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000560910573 332394119 /nfs/dbraw/zinc/39/41/19/332394119.db2.gz UQMDSBAOHZHZCH-BIENJYKASA-N 0 3 310.397 4.569 20 5 DJBDHN CC(C)[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000378920257 333063570 /nfs/dbraw/zinc/06/35/70/333063570.db2.gz YBEKBNSJFSNCGS-QGZVFWFLSA-N 0 3 318.804 4.735 20 5 DJBDHN CCC(CC)[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000319811207 333409444 /nfs/dbraw/zinc/40/94/44/333409444.db2.gz PGAIMGFFCLTSPH-IBGZPJMESA-N 0 3 312.413 4.862 20 5 DJBDHN Cc1ccccc1[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000531711647 333549194 /nfs/dbraw/zinc/54/91/94/333549194.db2.gz LBONXRCWBDHRQT-KXBFYZLASA-N 0 3 312.413 4.951 20 5 DJBDHN C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000531960964 334317152 /nfs/dbraw/zinc/31/71/52/334317152.db2.gz JYSBCQMFMQLZFB-LIRRHRJNSA-N 0 3 310.397 4.787 20 5 DJBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000417357809 334707550 /nfs/dbraw/zinc/70/75/50/334707550.db2.gz SDNANARXZJGGLZ-KBPBESRZSA-N 0 3 310.397 4.884 20 5 DJBDHN CC[C@@H](NCc1ccc(C)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000443983322 338465326 /nfs/dbraw/zinc/46/53/26/338465326.db2.gz CMCJNGDXEHMHOD-QGZVFWFLSA-N 0 3 318.804 4.798 20 5 DJBDHN CC(C)(C)[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000042800656 336242744 /nfs/dbraw/zinc/24/27/44/336242744.db2.gz NWHCWVDWWGHFHM-QGZVFWFLSA-N 0 3 316.376 4.611 20 5 DJBDHN CC(C)(C)[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000042800667 336242777 /nfs/dbraw/zinc/24/27/77/336242777.db2.gz STZFNOPVZGWAIK-KRWDZBQOSA-N 0 3 316.376 4.611 20 5 DJBDHN CC[C@@H](N[C@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000193023669 336287126 /nfs/dbraw/zinc/28/71/26/336287126.db2.gz XAORRNDQSPWKMN-SJKOYZFVSA-N 0 3 302.349 4.536 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000321698765 337284309 /nfs/dbraw/zinc/28/43/09/337284309.db2.gz ZQXMBMWHRFSAAE-HZPDHXFCSA-N 0 3 312.413 4.932 20 5 DJBDHN CCc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000536911355 337847777 /nfs/dbraw/zinc/84/77/77/337847777.db2.gz VDOXPSDTLXNVSO-CHWSQXEVSA-N 0 3 318.442 4.939 20 5 DJBDHN CC[C@@H](N[C@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000195614325 338910233 /nfs/dbraw/zinc/91/02/33/338910233.db2.gz WNTYHWOGRVJMSH-RTBURBONSA-N 0 3 310.397 4.787 20 5 DJBDHN Cc1ccccc1[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000467863676 339248113 /nfs/dbraw/zinc/24/81/13/339248113.db2.gz MAIQEBKHUUHRIY-BEFAXECRSA-N 0 3 312.413 4.951 20 5 DJBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H](C)c1cccs1 ZINC000470176653 339313048 /nfs/dbraw/zinc/31/30/48/339313048.db2.gz XRJGWFYNMRGVOG-ZVHGMHCTSA-N 0 3 316.426 4.753 20 5 DJBDHN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000482658334 339639199 /nfs/dbraw/zinc/63/91/99/339639199.db2.gz PUAVSTCDXIFXLZ-HZPDHXFCSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1ccc(CNC2(c3ccccc3)CCCCC2)cc1[N+](=O)[O-] ZINC000506313439 340191954 /nfs/dbraw/zinc/19/19/54/340191954.db2.gz FGZHHMAQOGGZQD-UHFFFAOYSA-N 0 3 324.424 4.852 20 5 DJBDHN O=[N+]([O-])c1ccccc1CN[C@H](c1ccccc1)C1CCCC1 ZINC000507928613 340236042 /nfs/dbraw/zinc/23/60/42/340236042.db2.gz DOSYKGBDTOZRNY-LJQANCHMSA-N 0 3 310.397 4.616 20 5 DJBDHN Cc1oc2ccccc2c1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000185047195 340497543 /nfs/dbraw/zinc/49/75/43/340497543.db2.gz WVIIALUZEQKQBB-GFCCVEGCSA-N 0 3 310.353 4.500 20 5 DJBDHN Cc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000237751603 340673625 /nfs/dbraw/zinc/67/36/25/340673625.db2.gz ZLZPNTTWSJARNP-SFHVURJKSA-N 0 3 312.413 4.780 20 5 DJBDHN CSc1ccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000315640780 340676134 /nfs/dbraw/zinc/67/61/34/340676134.db2.gz ZCITXCLBZQUDJC-STQMWFEESA-N 0 3 316.426 4.729 20 5 DJBDHN Cc1cccc2c1CC[C@H]2N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540179321 340921062 /nfs/dbraw/zinc/92/10/62/340921062.db2.gz QTVNWMVRIBHHTJ-RDTXWAMCSA-N 0 3 310.397 4.550 20 5 DJBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(Cl)c1 ZINC000573338362 341725444 /nfs/dbraw/zinc/72/54/44/341725444.db2.gz LFBDJLWCDKWAHH-BDJLRTHQSA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000492849872 518186897 /nfs/dbraw/zinc/18/68/97/518186897.db2.gz DTCJHRQQDRXFFI-HZPDHXFCSA-N 0 3 312.413 4.932 20 5 DJBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000020545599 333321888 /nfs/dbraw/zinc/32/18/88/333321888.db2.gz KRNGZNCKUMEFER-VXGBXAGGSA-N 0 3 304.777 4.660 20 5 DJBDHN Cc1c([C@H](C)NCc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000537937914 333336190 /nfs/dbraw/zinc/33/61/90/333336190.db2.gz FRSKZQDLDGLGMR-HNNXBMFYSA-N 0 3 320.392 4.907 20 5 DJBDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186842588 333379644 /nfs/dbraw/zinc/37/96/44/333379644.db2.gz AXVMSVIXLWDSJS-SJKOYZFVSA-N 0 3 302.349 4.536 20 5 DJBDHN CCC(CC)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000319811208 333409566 /nfs/dbraw/zinc/40/95/66/333409566.db2.gz PGAIMGFFCLTSPH-LJQANCHMSA-N 0 3 312.413 4.862 20 5 DJBDHN CCc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000320202919 333514066 /nfs/dbraw/zinc/51/40/66/333514066.db2.gz RTNYJBSRAOVGFM-LJQANCHMSA-N 0 3 312.413 4.644 20 5 DJBDHN O=[N+]([O-])c1cccc(CN(Cc2ccoc2)C2CCCCC2)c1 ZINC000303836453 334333884 /nfs/dbraw/zinc/33/38/84/334333884.db2.gz AVJMILAAEDLOST-UHFFFAOYSA-N 0 3 314.385 4.523 20 5 DJBDHN Cc1ccc([C@H](C)N[C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000192796387 336262246 /nfs/dbraw/zinc/26/22/46/336262246.db2.gz ZJRDIPLTXMBNQA-LIRRHRJNSA-N 0 3 310.397 4.705 20 5 DJBDHN O=[N+]([O-])c1ccccc1CN[C@H](c1cccs1)C1CCCC1 ZINC000192836198 336265319 /nfs/dbraw/zinc/26/53/19/336265319.db2.gz WHSFWZSRSFGCMG-KRWDZBQOSA-N 0 3 316.426 4.677 20 5 DJBDHN Cc1c(CN[C@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000532687821 336267521 /nfs/dbraw/zinc/26/75/21/336267521.db2.gz DTHOXJQBYLBUHV-LJQANCHMSA-N 0 3 310.397 4.534 20 5 DJBDHN CC[C@@H](N[C@@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000193023650 336287154 /nfs/dbraw/zinc/28/71/54/336287154.db2.gz XAORRNDQSPWKMN-YVEFUNNKSA-N 0 3 302.349 4.536 20 5 DJBDHN O=[N+]([O-])c1ccc(CNCc2ccc(-c3ccccc3)s2)cc1 ZINC000237983680 337469890 /nfs/dbraw/zinc/46/98/90/337469890.db2.gz MNQRGMAEYAWSPJ-UHFFFAOYSA-N 0 3 324.405 4.613 20 5 DJBDHN C[C@@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000322132113 337562502 /nfs/dbraw/zinc/56/25/02/337562502.db2.gz YVOZDBSXTWHVQA-LPMFXHHGSA-N 0 3 310.397 4.884 20 5 DJBDHN CCC[C@H](N[C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000536850080 337745161 /nfs/dbraw/zinc/74/51/61/337745161.db2.gz DIKBQKDJBWVOAL-HIFRSBDPSA-N 0 3 312.360 4.604 20 5 DJBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCCc3ccccc31)CCC2 ZINC000447517807 338553600 /nfs/dbraw/zinc/55/36/00/338553600.db2.gz UMFONYNIDNPXON-PMACEKPBSA-N 0 3 322.408 4.639 20 5 DJBDHN Cc1cc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000453143235 338799078 /nfs/dbraw/zinc/79/90/78/338799078.db2.gz DOPJURWKWNSSLB-OLZOCXBDSA-N 0 3 304.415 4.685 20 5 DJBDHN Cc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000503550809 340130268 /nfs/dbraw/zinc/13/02/68/340130268.db2.gz IWXOZBWMGAAEGJ-UHFFFAOYSA-N 0 3 318.804 4.582 20 5 DJBDHN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000504900157 340155253 /nfs/dbraw/zinc/15/52/53/340155253.db2.gz SAQYCBRCIPNFSF-GLJUWKHASA-N 0 3 310.397 4.802 20 5 DJBDHN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000504900159 340155366 /nfs/dbraw/zinc/15/53/66/340155366.db2.gz SAQYCBRCIPNFSF-LBTNJELSSA-N 0 3 310.397 4.802 20 5 DJBDHN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539042155 340866518 /nfs/dbraw/zinc/86/65/18/340866518.db2.gz VWDQSIKVVRPIQH-AUUYWEPGSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540178955 340921008 /nfs/dbraw/zinc/92/10/08/340921008.db2.gz JXBLUGCIXLKXEX-KBXCAEBGSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540178956 340921124 /nfs/dbraw/zinc/92/11/24/340921124.db2.gz JXBLUGCIXLKXEX-KDOFPFPSSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc2ccccc2c1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540377623 340928859 /nfs/dbraw/zinc/92/88/59/340928859.db2.gz RAOALEMRVQTILG-HNNXBMFYSA-N 0 3 320.392 4.907 20 5 DJBDHN Cc1cccc(C)c1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000544898932 341098359 /nfs/dbraw/zinc/09/83/59/341098359.db2.gz YLOKIVCECNERBS-CVEARBPZSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000544898936 341098396 /nfs/dbraw/zinc/09/83/96/341098396.db2.gz YLOKIVCECNERBS-HZPDHXFCSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCc2sccc21 ZINC000545235847 341116328 /nfs/dbraw/zinc/11/63/28/341116328.db2.gz PYWXCECEIUBMRL-MLGOLLRUSA-N 0 3 316.426 4.693 20 5 DJBDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000079723741 341264592 /nfs/dbraw/zinc/26/45/92/341264592.db2.gz XMDOEPDYJWKGCB-PXAZEXFGSA-N 0 3 302.349 4.536 20 5 DJBDHN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177030 518178391 /nfs/dbraw/zinc/17/83/91/518178391.db2.gz PFUZRNXFGFEABS-NWDGAFQWSA-N 0 3 304.777 4.660 20 5 DJBDHN Cc1ccc([C@H](C)NCc2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000275785067 130387268 /nfs/dbraw/zinc/38/72/68/130387268.db2.gz WLTSXWPZBZPJIW-LBPRGKRZSA-N 0 3 320.339 4.692 20 5 DJBDHN Cc1c(CN[C@@H](CC2CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000569325971 331690326 /nfs/dbraw/zinc/69/03/26/331690326.db2.gz DFMBLHPTDFXQNV-SFHVURJKSA-N 0 3 310.397 4.534 20 5 DJBDHN Cc1cc2cc(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000556914297 331753280 /nfs/dbraw/zinc/75/32/80/331753280.db2.gz FZXATFNUQRLOQW-CQSZACIVSA-N 0 3 323.396 4.544 20 5 DJBDHN Cc1cc(Cl)cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000569438134 332082806 /nfs/dbraw/zinc/08/28/06/332082806.db2.gz ZURJZYMYMPKLDW-CYBMUJFWSA-N 0 3 318.804 4.716 20 5 DJBDHN Cc1cc([N+](=O)[O-])ccc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000560073456 332308273 /nfs/dbraw/zinc/30/82/73/332308273.db2.gz VKDMUBMVUCSWFJ-UHFFFAOYSA-N 0 3 318.804 4.582 20 5 DJBDHN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000020545600 333321813 /nfs/dbraw/zinc/32/18/13/333321813.db2.gz KRNGZNCKUMEFER-NWDGAFQWSA-N 0 3 304.777 4.660 20 5 DJBDHN Cc1ccc(C)c([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000319687766 333396994 /nfs/dbraw/zinc/39/69/94/333396994.db2.gz BHXZNLPWWJRSEO-CVEARBPZSA-N 0 3 312.413 4.932 20 5 DJBDHN CCc1ccc([C@@H](NCc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000320127632 333427188 /nfs/dbraw/zinc/42/71/88/333427188.db2.gz FZESLISTHQUDCM-IBGZPJMESA-N 0 3 312.413 4.644 20 5 DJBDHN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531719734 333550853 /nfs/dbraw/zinc/55/08/53/333550853.db2.gz IDYMKYKRUSMIGM-HZPDHXFCSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](c1cccs1)C1CC1 ZINC000531944247 334300294 /nfs/dbraw/zinc/30/02/94/334300294.db2.gz NDMXRIKZSRHPSR-SJKOYZFVSA-N 0 3 316.426 4.767 20 5 DJBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000049159196 334323040 /nfs/dbraw/zinc/32/30/40/334323040.db2.gz UVNXDXDXINMCTR-STQMWFEESA-N 0 3 304.415 4.685 20 5 DJBDHN C[C@@H](N[C@@H](C)c1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000417357813 334707536 /nfs/dbraw/zinc/70/75/36/334707536.db2.gz SDNANARXZJGGLZ-UONOGXRCSA-N 0 3 310.397 4.884 20 5 DJBDHN CC(C)(C)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000042800659 336242808 /nfs/dbraw/zinc/24/28/08/336242808.db2.gz NWHCWVDWWGHFHM-KRWDZBQOSA-N 0 3 316.376 4.611 20 5 DJBDHN Cc1ccccc1[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532510982 336252968 /nfs/dbraw/zinc/25/29/68/336252968.db2.gz BFVFHSIOPRKZKE-KUHUBIRLSA-N 0 3 310.397 4.705 20 5 DJBDHN Cc1ccccc1[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532510979 336253035 /nfs/dbraw/zinc/25/30/35/336253035.db2.gz BFVFHSIOPRKZKE-AUUYWEPGSA-N 0 3 310.397 4.705 20 5 DJBDHN Cc1cc(C)c([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000321075739 337194476 /nfs/dbraw/zinc/19/44/76/337194476.db2.gz QMTAISFRMFNCQB-HZPDHXFCSA-N 0 3 312.413 4.932 20 5 DJBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000584420237 337323624 /nfs/dbraw/zinc/32/36/24/337323624.db2.gz CUQKMOBMGQNZAZ-BDJLRTHQSA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000426288318 338024621 /nfs/dbraw/zinc/02/46/21/338024621.db2.gz IQROXICVPKTBQN-IFXJQAMLSA-N 0 3 310.397 4.631 20 5 DJBDHN CCSc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000426333736 338027484 /nfs/dbraw/zinc/02/74/84/338027484.db2.gz JCHDERMUYAMESU-ZDUSSCGKSA-N 0 3 316.426 4.558 20 5 DJBDHN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433149358 338183003 /nfs/dbraw/zinc/18/30/03/338183003.db2.gz ISLOWJWATIUGKT-UGSOOPFHSA-N 0 3 310.397 4.668 20 5 DJBDHN Cc1c([C@H](C)N[C@@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000437092435 338300498 /nfs/dbraw/zinc/30/04/98/338300498.db2.gz MCMNNGTTXSAMRG-AAEUAGOBSA-N 0 3 318.339 4.531 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447530087 338554482 /nfs/dbraw/zinc/55/44/82/338554482.db2.gz LYIGDHJNZRFGKU-AUUYWEPGSA-N 0 3 310.397 4.631 20 5 DJBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(C3CC3)cc1)CCC2 ZINC000447596872 338561000 /nfs/dbraw/zinc/56/10/00/338561000.db2.gz DQOYUWRXNPSRFJ-FQEVSTJZSA-N 0 3 322.408 4.639 20 5 DJBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000194783006 338750438 /nfs/dbraw/zinc/75/04/38/338750438.db2.gz MXOLDDFDSRUFOP-CQSZACIVSA-N 0 3 306.365 4.599 20 5 DJBDHN C[C@@H](NCc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000195260176 338886693 /nfs/dbraw/zinc/88/66/93/338886693.db2.gz RZRMVPSQBNMOTO-CQSZACIVSA-N 0 3 306.365 4.599 20 5 DJBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1cccc(Cl)c1 ZINC000195673452 338913914 /nfs/dbraw/zinc/91/39/14/338913914.db2.gz CHDBJUFYQXYTRZ-MRXNPFEDSA-N 0 3 318.804 4.798 20 5 DJBDHN Cc1c([C@@H](C)N[C@@H](c2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000480162296 339561204 /nfs/dbraw/zinc/56/12/04/339561204.db2.gz KZXMTLQPEYUURN-DNVCBOLYSA-N 0 3 312.413 4.951 20 5 DJBDHN Cc1ccc([C@@H](C)NCc2ccc3occc3c2)cc1[N+](=O)[O-] ZINC000512044713 340346500 /nfs/dbraw/zinc/34/65/00/340346500.db2.gz HIECLJQIELFWPN-CYBMUJFWSA-N 0 3 310.353 4.500 20 5 DJBDHN C[C@H](N[C@@H]1CCc2c1cccc2Cl)c1cccc([N+](=O)[O-])c1 ZINC000173361769 340363240 /nfs/dbraw/zinc/36/32/40/340363240.db2.gz FBVFGPRKBKWHKZ-APPDUMDISA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1c(CN[C@H](C)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000326361616 340714267 /nfs/dbraw/zinc/71/42/67/340714267.db2.gz HCENABZWMFLCQG-OAHLLOKOSA-N 0 3 320.392 4.907 20 5 DJBDHN Cc1c(CN[C@H](C)c2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000326367361 340714452 /nfs/dbraw/zinc/71/44/52/340714452.db2.gz INNYXFSZEGNJBW-OAHLLOKOSA-N 0 3 320.392 4.907 20 5 DJBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000037177031 340769345 /nfs/dbraw/zinc/76/93/45/340769345.db2.gz PFUZRNXFGFEABS-NEPJUHHUSA-N 0 3 304.777 4.660 20 5 DJBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1C(C)(C)C ZINC000537992245 340806343 /nfs/dbraw/zinc/80/63/43/340806343.db2.gz WUPZMBWGCJPWPF-AWEZNQCLSA-N 0 3 312.413 4.743 20 5 DJBDHN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540179568 340920980 /nfs/dbraw/zinc/92/09/80/340920980.db2.gz XLMKWJBCDVFVKB-IFXJQAMLSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc([C@H](C)N[C@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000544897202 341098183 /nfs/dbraw/zinc/09/81/83/341098183.db2.gz BKKYKTKXBLWCBV-JKSUJKDBSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C(F)F)cc1 ZINC000545200950 341113321 /nfs/dbraw/zinc/11/33/21/341113321.db2.gz INRXBDCFPOSOIC-LBPRGKRZSA-N 0 3 320.339 4.692 20 5 DJBDHN CCC[C@H](N[C@@H](CC)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000546165329 341155460 /nfs/dbraw/zinc/15/54/60/341155460.db2.gz DZTACNIHEOJEJJ-JSGCOSHPSA-N 0 3 318.339 4.757 20 5 DJBDHN CCC[C@@H](N[C@H](CC)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000546165331 341155464 /nfs/dbraw/zinc/15/54/64/341155464.db2.gz DZTACNIHEOJEJJ-TZMCWYRMSA-N 0 3 318.339 4.757 20 5 DJBDHN Cc1c([C@H](C)N[C@@H]2CCCc3sccc32)cccc1[N+](=O)[O-] ZINC000134966773 341227530 /nfs/dbraw/zinc/22/75/30/341227530.db2.gz VNGPUUBHLOPDJQ-SWLSCSKDSA-N 0 3 316.426 4.693 20 5 DJBDHN CC[C@@H](NCc1cccc(C(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000275785220 130387324 /nfs/dbraw/zinc/38/73/24/130387324.db2.gz WODHSBVCSMIYIG-MRXNPFEDSA-N 0 3 320.339 4.773 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000102196723 332917878 /nfs/dbraw/zinc/91/78/78/332917878.db2.gz NZIUHXNDNJKDLD-IUODEOHRSA-N 0 3 316.426 4.693 20 5 DJBDHN Cc1c(CN[C@H]2CC[C@@H](C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000323044577 331594994 /nfs/dbraw/zinc/59/49/94/331594994.db2.gz DEWYKUSOVHKDIZ-ACJLOTCBSA-N 0 3 310.397 4.631 20 5 DJBDHN Cc1c(CN[C@H](CC2CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000569325970 331690416 /nfs/dbraw/zinc/69/04/16/331690416.db2.gz DFMBLHPTDFXQNV-GOSISDBHSA-N 0 3 310.397 4.534 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000314053463 333084663 /nfs/dbraw/zinc/08/46/63/333084663.db2.gz PJMPZZKPFHUGMQ-CHWSQXEVSA-N 0 3 318.804 4.968 20 5 DJBDHN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186842547 333379695 /nfs/dbraw/zinc/37/96/95/333379695.db2.gz AXVMSVIXLWDSJS-YVEFUNNKSA-N 0 3 302.349 4.536 20 5 DJBDHN Cc1ccc(C)c([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000319687770 333397016 /nfs/dbraw/zinc/39/70/16/333397016.db2.gz BHXZNLPWWJRSEO-HOTGVXAUSA-N 0 3 312.413 4.932 20 5 DJBDHN CC(C)[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000319770426 333403640 /nfs/dbraw/zinc/40/36/40/333403640.db2.gz XEOIGLRCYHPCOU-SCLBCKFNSA-N 0 3 316.376 4.782 20 5 DJBDHN Cc1cccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000531711628 333549175 /nfs/dbraw/zinc/54/91/75/333549175.db2.gz KIOIOLHVMCBYJM-HOTGVXAUSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1cccs1)C1CC1 ZINC000531944248 334300176 /nfs/dbraw/zinc/30/01/76/334300176.db2.gz NDMXRIKZSRHPSR-YVEFUNNKSA-N 0 3 316.426 4.767 20 5 DJBDHN CCC[C@@H](NCc1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000050225213 334376499 /nfs/dbraw/zinc/37/64/99/334376499.db2.gz GRDXPTPFVYZURU-MRXNPFEDSA-N 0 3 304.415 4.596 20 5 DJBDHN CSc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192756299 336260583 /nfs/dbraw/zinc/26/05/83/336260583.db2.gz DJIBSZJAHXBMOK-OLZOCXBDSA-N 0 3 316.426 4.729 20 5 DJBDHN Cc1cc(C)c([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000321075737 337194471 /nfs/dbraw/zinc/19/44/71/337194471.db2.gz QMTAISFRMFNCQB-HOTGVXAUSA-N 0 3 312.413 4.932 20 5 DJBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCCc3ccccc31)CCC2 ZINC000447517808 338553617 /nfs/dbraw/zinc/55/36/17/338553617.db2.gz UMFONYNIDNPXON-UXHICEINSA-N 0 3 322.408 4.639 20 5 DJBDHN O=[N+]([O-])c1ccc(CNCc2ccc(C3CCCC3)cc2)cc1 ZINC000462796245 339089309 /nfs/dbraw/zinc/08/93/09/339089309.db2.gz LVKIWPWBWNJXSB-UHFFFAOYSA-N 0 3 310.397 4.542 20 5 DJBDHN C[C@@H](N[C@@H]1CCc2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479254711 339529969 /nfs/dbraw/zinc/52/99/69/339529969.db2.gz WEMLWZZRLYOGRC-PIGZYNQJSA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000485799932 339713156 /nfs/dbraw/zinc/71/31/56/339713156.db2.gz KKIHFMNSRDBPSH-HNAYVOBHSA-N 0 3 312.413 4.951 20 5 DJBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccsc2)CC1 ZINC000486009979 339718419 /nfs/dbraw/zinc/71/84/19/339718419.db2.gz VWJZIZBDNQOUQF-CYBMUJFWSA-N 0 3 316.426 4.597 20 5 DJBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]1c1cccs1 ZINC000506112055 340185866 /nfs/dbraw/zinc/18/58/66/340185866.db2.gz GJLYNYHLMXJHEP-SEJWUHKESA-N 0 3 314.410 4.507 20 5 DJBDHN CCC(CC)[C@H](NCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000507914471 340235814 /nfs/dbraw/zinc/23/58/14/340235814.db2.gz OWZZOHVONLCHQS-KRWDZBQOSA-N 0 3 318.442 4.923 20 5 DJBDHN C[C@@H](N[C@@H]1CCc2c1cccc2Cl)c1cccc([N+](=O)[O-])c1 ZINC000173361784 340363330 /nfs/dbraw/zinc/36/33/30/340363330.db2.gz FBVFGPRKBKWHKZ-PIGZYNQJSA-N 0 3 316.788 4.586 20 5 DJBDHN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000236934163 340666446 /nfs/dbraw/zinc/66/64/46/340666446.db2.gz DHTKJWQZVGEOGX-INIZCTEOSA-N 0 3 318.804 4.798 20 5 DJBDHN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000037177032 340769320 /nfs/dbraw/zinc/76/93/20/340769320.db2.gz PFUZRNXFGFEABS-VXGBXAGGSA-N 0 3 304.777 4.660 20 5 DJBDHN CCC[C@@H](NC1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000538524447 340831266 /nfs/dbraw/zinc/83/12/66/340831266.db2.gz VIEORHVDDDUOGV-GOSISDBHSA-N 0 3 310.397 4.715 20 5 DJBDHN CC[C@@H](N[C@@H]1CCc2cc(C)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000540139256 340916205 /nfs/dbraw/zinc/91/62/05/340916205.db2.gz PJKVHUSZYPALJZ-RTBURBONSA-N 0 3 310.397 4.631 20 5 DJBDHN Cc1ccccc1[C@@H](NCc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000540360795 340928354 /nfs/dbraw/zinc/92/83/54/340928354.db2.gz BYOYVHVSTAITLL-IBGZPJMESA-N 0 3 312.413 4.699 20 5 DJBDHN C[C@H](N[C@H]1c2ccccc2CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000541846873 340985506 /nfs/dbraw/zinc/98/55/06/340985506.db2.gz DXUSZBBZJDREQW-CKFHNAJUSA-N 0 3 310.397 4.569 20 5 DJBDHN C[C@H](N[C@@H]1c2ccccc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000541846875 340985602 /nfs/dbraw/zinc/98/56/02/340985602.db2.gz DXUSZBBZJDREQW-TYILLQQXSA-N 0 3 310.397 4.569 20 5 DJBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)s1 ZINC000544452735 341082781 /nfs/dbraw/zinc/08/27/81/341082781.db2.gz XXODCULJJADSOJ-LBPRGKRZSA-N 0 3 324.833 4.859 20 5 DJBDHN Cc1ccc([C@H](C)N[C@@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000544897200 341098269 /nfs/dbraw/zinc/09/82/69/341098269.db2.gz BKKYKTKXBLWCBV-HOTGVXAUSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000544898938 341098434 /nfs/dbraw/zinc/09/84/34/341098434.db2.gz YLOKIVCECNERBS-JKSUJKDBSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1c(C)cccc1C ZINC000546224113 341157643 /nfs/dbraw/zinc/15/76/43/341157643.db2.gz KRMBQUNRFCEYSR-JKSUJKDBSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1oc2ccccc2c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000546649342 341177144 /nfs/dbraw/zinc/17/71/44/341177144.db2.gz MQLCDPLOLMFNKQ-CYBMUJFWSA-N 0 3 324.380 4.809 20 5 DJBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccs1 ZINC000022746002 182332455 /nfs/dbraw/zinc/33/24/55/182332455.db2.gz HESAKXANIWJJOQ-IUODEOHRSA-N 0 3 302.399 4.554 20 5 DJBDHN Cc1cc(Cl)cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000569438140 332082844 /nfs/dbraw/zinc/08/28/44/332082844.db2.gz ZURJZYMYMPKLDW-ZDUSSCGKSA-N 0 3 318.804 4.716 20 5 DJBDHN C[C@H](N[C@@H]1c2ccccc2CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000560910579 332394199 /nfs/dbraw/zinc/39/41/99/332394199.db2.gz UQMDSBAOHZHZCH-TYILLQQXSA-N 0 3 310.397 4.569 20 5 DJBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000314053464 333084722 /nfs/dbraw/zinc/08/47/22/333084722.db2.gz PJMPZZKPFHUGMQ-OLZOCXBDSA-N 0 3 318.804 4.968 20 5 DJBDHN Cc1c([C@H](C)NCc2ccc(C(F)F)cc2)cccc1[N+](=O)[O-] ZINC000185358799 333207455 /nfs/dbraw/zinc/20/74/55/333207455.db2.gz DDPVJEIHHUBRLS-LBPRGKRZSA-N 0 3 320.339 4.692 20 5 DJBDHN CCC[C@H](NCc1ccc(CC)s1)c1cccc([N+](=O)[O-])c1 ZINC000319142466 333264380 /nfs/dbraw/zinc/26/43/80/333264380.db2.gz UOLGWPBYBRLJDD-KRWDZBQOSA-N 0 3 318.442 4.850 20 5 DJBDHN CC(C)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000390683024 333314884 /nfs/dbraw/zinc/31/48/84/333314884.db2.gz VBIZNRKHOGCWBU-FZKQIMNGSA-N 0 3 316.376 4.782 20 5 DJBDHN Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000319687774 333397012 /nfs/dbraw/zinc/39/70/12/333397012.db2.gz BHXZNLPWWJRSEO-JKSUJKDBSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](c1cccs1)C1CC1 ZINC000531944245 334300209 /nfs/dbraw/zinc/30/02/09/334300209.db2.gz NDMXRIKZSRHPSR-PXAZEXFGSA-N 0 3 316.426 4.767 20 5 DJBDHN O=[N+]([O-])c1ccc(CN(Cc2ccoc2)C2CCCCC2)cc1 ZINC000303860250 334338788 /nfs/dbraw/zinc/33/87/88/334338788.db2.gz GKOURSDSDJHSEI-UHFFFAOYSA-N 0 3 314.385 4.523 20 5 DJBDHN CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000049529262 334345411 /nfs/dbraw/zinc/34/54/11/334345411.db2.gz UJFHJSOWYVDRCK-OCCSQVGLSA-N 0 3 304.415 4.767 20 5 DJBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000417357815 334707432 /nfs/dbraw/zinc/70/74/32/334707432.db2.gz SDNANARXZJGGLZ-ZIAGYGMSSA-N 0 3 310.397 4.884 20 5 DJBDHN C[C@H](N[C@@H]1CC[C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000526112980 336165460 /nfs/dbraw/zinc/16/54/60/336165460.db2.gz QRAITTUTDJPOPC-BHYGNILZSA-N 0 3 310.397 4.582 20 5 DJBDHN C[C@H](N[C@H]1CC[C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000526112983 336165629 /nfs/dbraw/zinc/16/56/29/336165629.db2.gz QRAITTUTDJPOPC-XIRDDKMYSA-N 0 3 310.397 4.582 20 5 DJBDHN C[C@H](N[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000526112982 336165640 /nfs/dbraw/zinc/16/56/40/336165640.db2.gz QRAITTUTDJPOPC-USXIJHARSA-N 0 3 310.397 4.582 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000321549383 337276132 /nfs/dbraw/zinc/27/61/32/337276132.db2.gz VWGSYQKOEQUOST-KGLIPLIRSA-N 0 3 316.376 4.763 20 5 DJBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000321698762 337284361 /nfs/dbraw/zinc/28/43/61/337284361.db2.gz ZQXMBMWHRFSAAE-CVEARBPZSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536825195 337604140 /nfs/dbraw/zinc/60/41/40/337604140.db2.gz FNAMVLXVVSUIPP-KSSFIOAISA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000426292693 338024995 /nfs/dbraw/zinc/02/49/95/338024995.db2.gz OYWSIKYOLAGXKY-AUUYWEPGSA-N 0 3 310.397 4.631 20 5 DJBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000432978043 338175149 /nfs/dbraw/zinc/17/51/49/338175149.db2.gz QGAYVQXWCDQSCT-WFASDCNBSA-N 0 3 302.399 4.554 20 5 DJBDHN CC[C@H](N[C@@H](CC(F)(F)F)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000437071803 338299264 /nfs/dbraw/zinc/29/92/64/338299264.db2.gz AOUNGXRXMKPFCJ-KBPBESRZSA-N 0 3 318.339 4.613 20 5 DJBDHN Cc1c([C@@H](C)N[C@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000437092438 338300447 /nfs/dbraw/zinc/30/04/47/338300447.db2.gz MCMNNGTTXSAMRG-DGCLKSJQSA-N 0 3 318.339 4.531 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000437098966 338300898 /nfs/dbraw/zinc/30/08/98/338300898.db2.gz YAZXBMRTBWPASX-YPMHNXCESA-N 0 3 318.339 4.531 20 5 DJBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccccc2)CC1 ZINC000441194213 338405058 /nfs/dbraw/zinc/40/50/58/338405058.db2.gz YVORUXICSBZZDH-OAHLLOKOSA-N 0 3 310.397 4.535 20 5 DJBDHN C[C@H](N[C@@H]1CC[C@H](C)c2ccsc21)c1ccc([N+](=O)[O-])cc1 ZINC000453230641 338811293 /nfs/dbraw/zinc/81/12/93/338811293.db2.gz SGZQAMKNLUENSB-MQIPJXDCSA-N 0 3 316.426 4.946 20 5 DJBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@@H](C)c1cccs1 ZINC000470176651 339313078 /nfs/dbraw/zinc/31/30/78/339313078.db2.gz XRJGWFYNMRGVOG-UELRPHRMSA-N 0 3 316.426 4.753 20 5 DJBDHN CCC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000478499519 339516709 /nfs/dbraw/zinc/51/67/09/339516709.db2.gz KROOKXDUHFOGEO-HNNXBMFYSA-N 0 3 304.415 4.596 20 5 DJBDHN Cc1c([C@H](C)N[C@H](c2cccs2)C2CC2)cccc1[N+](=O)[O-] ZINC000480241486 339564831 /nfs/dbraw/zinc/56/48/31/339564831.db2.gz PBMWJKICRMFFNW-SJCJKPOMSA-N 0 3 316.426 4.767 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](c1ccccc1)C(C)C ZINC000485799922 339713231 /nfs/dbraw/zinc/71/32/31/339713231.db2.gz KKIHFMNSRDBPSH-BEFAXECRSA-N 0 3 312.413 4.951 20 5 DJBDHN Cc1ccccc1[C@@H](CC(C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000489104845 339801939 /nfs/dbraw/zinc/80/19/39/339801939.db2.gz XYCRHOHXBDGPFQ-LJQANCHMSA-N 0 3 312.413 4.780 20 5 DJBDHN CCN(Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccc(F)cc1 ZINC000507719516 340229473 /nfs/dbraw/zinc/22/94/73/340229473.db2.gz SVMQYIQAJUSLON-CQSZACIVSA-N 0 3 316.376 4.625 20 5 DJBDHN Cc1ccc([C@H](C)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000219866925 340510984 /nfs/dbraw/zinc/51/09/84/340510984.db2.gz QXKCNWDTWKAPSO-KSSFIOAISA-N 0 3 310.397 4.631 20 5 DJBDHN CC[C@H](N[C@@H]1CCc2cc(C)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000540139255 340916116 /nfs/dbraw/zinc/91/61/16/340916116.db2.gz PJKVHUSZYPALJZ-RBUKOAKNSA-N 0 3 310.397 4.631 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000540221441 340924144 /nfs/dbraw/zinc/92/41/44/340924144.db2.gz GKSTUYZBZWREHF-LSDHHAIUSA-N 0 3 324.424 4.804 20 5 DJBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000550620378 341319582 /nfs/dbraw/zinc/31/95/82/341319582.db2.gz ZWQWLNIWSXNHNG-ZIAGYGMSSA-N 0 3 310.397 4.884 20 5 DJBDHN Cc1c(CNC(C)(C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000551350749 341339174 /nfs/dbraw/zinc/33/91/74/341339174.db2.gz XQOFTOAGQXLEOM-UHFFFAOYSA-N 0 3 318.804 4.582 20 5 DJBDHN Cc1c(CN[C@H]2CC[C@H](C)c3ccsc32)cccc1[N+](=O)[O-] ZINC000453209497 518185926 /nfs/dbraw/zinc/18/59/26/518185926.db2.gz LLNMPEUCXMGPHZ-NHYWBVRUSA-N 0 3 316.426 4.693 20 5 DJBDHN CC(C)N(C/C=C/c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000518565192 332081217 /nfs/dbraw/zinc/08/12/17/332081217.db2.gz JFEHGPJPFFSHNW-RMKNXTFCSA-N 0 3 310.397 4.519 20 5 DJBDHN C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000560910578 332394371 /nfs/dbraw/zinc/39/43/71/332394371.db2.gz UQMDSBAOHZHZCH-NJSLBKSFSA-N 0 3 310.397 4.569 20 5 DJBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000314053466 333084845 /nfs/dbraw/zinc/08/48/45/333084845.db2.gz PJMPZZKPFHUGMQ-STQMWFEESA-N 0 3 318.804 4.968 20 5 DJBDHN Cc1ccc([C@H](C)N[C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000319840298 333412412 /nfs/dbraw/zinc/41/24/12/333412412.db2.gz OFXJWIGUJWZIAN-KXBFYZLASA-N 0 3 312.413 4.951 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000049159205 334322752 /nfs/dbraw/zinc/32/27/52/334322752.db2.gz UVNXDXDXINMCTR-QWHCGFSZSA-N 0 3 304.415 4.685 20 5 DJBDHN CC[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342294967 334525899 /nfs/dbraw/zinc/52/58/99/334525899.db2.gz OPRNCZXKZPESFJ-MSOLQXFVSA-N 0 3 316.376 4.926 20 5 DJBDHN CC[C@@H](NCc1ccc2occc2c1)c1cccc([N+](=O)[O-])c1 ZINC000352758501 336235213 /nfs/dbraw/zinc/23/52/13/336235213.db2.gz YYBLFYCPKLMQAE-QGZVFWFLSA-N 0 3 310.353 4.582 20 5 DJBDHN CC(C)(C)[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000042800664 336242741 /nfs/dbraw/zinc/24/27/41/336242741.db2.gz STZFNOPVZGWAIK-QGZVFWFLSA-N 0 3 316.376 4.611 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCc2ccccc21 ZINC000532442735 336247582 /nfs/dbraw/zinc/24/75/82/336247582.db2.gz URIJFDGNIZUSGY-LIRRHRJNSA-N 0 3 310.397 4.631 20 5 DJBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000582735116 337127794 /nfs/dbraw/zinc/12/77/94/337127794.db2.gz CUQKMOBMGQNZAZ-MEDUHNTESA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000321698763 337284296 /nfs/dbraw/zinc/28/42/96/337284296.db2.gz ZQXMBMWHRFSAAE-HOTGVXAUSA-N 0 3 312.413 4.932 20 5 DJBDHN CC(C)(NCc1cccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429224466 338073859 /nfs/dbraw/zinc/07/38/59/338073859.db2.gz ARYPSIAPRMTDPR-UHFFFAOYSA-N 0 3 320.392 4.773 20 5 DJBDHN Cc1ccc([C@H](C)N[C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000437098961 338300737 /nfs/dbraw/zinc/30/07/37/338300737.db2.gz YAZXBMRTBWPASX-AAEUAGOBSA-N 0 3 318.339 4.531 20 5 DJBDHN CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000453154122 338800334 /nfs/dbraw/zinc/80/03/34/338800334.db2.gz RFGCUWRGLXFMKD-DOMZBBRYSA-N 0 3 304.415 4.767 20 5 DJBDHN CC[C@@H](N[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000195548119 338904582 /nfs/dbraw/zinc/90/45/82/338904582.db2.gz LQSYDPJUAOTBRC-RTBURBONSA-N 0 3 310.397 4.713 20 5 DJBDHN Cc1ccccc1[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000467863678 339248035 /nfs/dbraw/zinc/24/80/35/339248035.db2.gz MAIQEBKHUUHRIY-HNAYVOBHSA-N 0 3 312.413 4.951 20 5 DJBDHN C[C@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000482448962 339631952 /nfs/dbraw/zinc/63/19/52/339631952.db2.gz GXYLFTAHJIBTRK-LIRRHRJNSA-N 0 3 310.397 4.787 20 5 DJBDHN Cc1c(CN[C@H](c2ccccc2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000507003590 340205153 /nfs/dbraw/zinc/20/51/53/340205153.db2.gz WSUORGFCFNXKLQ-GOSISDBHSA-N 0 3 312.413 4.780 20 5 DJBDHN C[C@H](N[C@H]1CCc2c1cccc2Cl)c1cccc([N+](=O)[O-])c1 ZINC000173361797 340363307 /nfs/dbraw/zinc/36/33/07/340363307.db2.gz FBVFGPRKBKWHKZ-GTNSWQLSSA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537941190 340792038 /nfs/dbraw/zinc/79/20/38/340792038.db2.gz KRBGUPVJONHBIH-KBXCAEBGSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000540221439 340924076 /nfs/dbraw/zinc/92/40/76/340924076.db2.gz GKSTUYZBZWREHF-GJZGRUSLSA-N 0 3 324.424 4.804 20 5 DJBDHN Cc1ccccc1[C@H](NCc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000540360796 340928456 /nfs/dbraw/zinc/92/84/56/340928456.db2.gz BYOYVHVSTAITLL-LJQANCHMSA-N 0 3 312.413 4.699 20 5 DJBDHN C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000541846874 340985543 /nfs/dbraw/zinc/98/55/43/340985543.db2.gz DXUSZBBZJDREQW-NJSLBKSFSA-N 0 3 310.397 4.569 20 5 DJBDHN Cc1c(CN[C@H](CC(C)C)c2cccs2)cccc1[N+](=O)[O-] ZINC000543486426 341047076 /nfs/dbraw/zinc/04/70/76/341047076.db2.gz ICKUPENMHAZJMJ-OAHLLOKOSA-N 0 3 318.442 4.842 20 5 DJBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)s1 ZINC000544452734 341082722 /nfs/dbraw/zinc/08/27/22/341082722.db2.gz XXODCULJJADSOJ-GFCCVEGCSA-N 0 3 324.833 4.859 20 5 DJBDHN Cc1oc2ccccc2c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000546649343 341177115 /nfs/dbraw/zinc/17/71/15/341177115.db2.gz MQLCDPLOLMFNKQ-ZDUSSCGKSA-N 0 3 324.380 4.809 20 5 DJBDHN Cc1c([C@H](C)N[C@H]2CCCc3sccc32)cccc1[N+](=O)[O-] ZINC000134966818 341227466 /nfs/dbraw/zinc/22/74/66/341227466.db2.gz VNGPUUBHLOPDJQ-WFASDCNBSA-N 0 3 316.426 4.693 20 5 DJBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000550620376 341319593 /nfs/dbraw/zinc/31/95/93/341319593.db2.gz ZWQWLNIWSXNHNG-KGLIPLIRSA-N 0 3 310.397 4.884 20 5 DJBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000019995573 182175632 /nfs/dbraw/zinc/17/56/32/182175632.db2.gz QRMVPIIJCUGLII-NEPJUHHUSA-N 0 3 304.777 4.660 20 5 DJBDHN CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000525868735 335071177 /nfs/dbraw/zinc/07/11/77/335071177.db2.gz BXUDNHQIGKDXIY-GUYCJALGSA-N 0 3 316.376 4.844 20 5 DJBDHN CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000525868733 335071213 /nfs/dbraw/zinc/07/12/13/335071213.db2.gz BXUDNHQIGKDXIY-CXAGYDPISA-N 0 3 316.376 4.844 20 5 DJBDHN CC(C)c1ccc(CN[C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000409468776 332033767 /nfs/dbraw/zinc/03/37/67/332033767.db2.gz DJMGSIZKDXMCDX-LJQANCHMSA-N 0 3 324.424 4.885 20 5 DJBDHN CC(C)N(C/C=C\c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000518565193 332081252 /nfs/dbraw/zinc/08/12/52/332081252.db2.gz JFEHGPJPFFSHNW-TWGQIWQCSA-N 0 3 310.397 4.519 20 5 DJBDHN C[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649598 333017459 /nfs/dbraw/zinc/01/74/59/333017459.db2.gz NSGGEJBZIHCZFR-GTNSWQLSSA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1ccc(CN[C@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000378893006 333060685 /nfs/dbraw/zinc/06/06/85/333060685.db2.gz MHDONTIEBDGQCN-SFHVURJKSA-N 0 3 316.376 4.529 20 5 DJBDHN CC(C)[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000319770422 333403522 /nfs/dbraw/zinc/40/35/22/333403522.db2.gz XEOIGLRCYHPCOU-ACJLOTCBSA-N 0 3 316.376 4.782 20 5 DJBDHN CC(C)(C)C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000320096871 333424814 /nfs/dbraw/zinc/42/48/14/333424814.db2.gz VMBFGWHWOFIPMG-SFHVURJKSA-N 0 3 312.413 4.862 20 5 DJBDHN Cc1cc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000531943717 334299847 /nfs/dbraw/zinc/29/98/47/334299847.db2.gz IDKYCIJQCYMOMZ-CHWSQXEVSA-N 0 3 318.442 4.993 20 5 DJBDHN CCC[C@@H](NCc1cscc1C)c1cccc([N+](=O)[O-])c1 ZINC000094877592 335757896 /nfs/dbraw/zinc/75/78/96/335757896.db2.gz OCYODCOXWZGPCN-MRXNPFEDSA-N 0 3 304.415 4.596 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCc2ccccc21 ZINC000532442734 336247664 /nfs/dbraw/zinc/24/76/64/336247664.db2.gz URIJFDGNIZUSGY-KUHUBIRLSA-N 0 3 310.397 4.631 20 5 DJBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000582735119 337127701 /nfs/dbraw/zinc/12/77/01/337127701.db2.gz CUQKMOBMGQNZAZ-ZBEGNZNMSA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1F ZINC000536807219 337394758 /nfs/dbraw/zinc/39/47/58/337394758.db2.gz RQOZZYHECDKSNL-KBPBESRZSA-N 0 3 316.376 4.763 20 5 DJBDHN Cc1c(CN[C@@H]2CC[C@H](C)c3ccsc32)cccc1[N+](=O)[O-] ZINC000453209499 338808265 /nfs/dbraw/zinc/80/82/65/338808265.db2.gz LLNMPEUCXMGPHZ-XHDPSFHLSA-N 0 3 316.426 4.693 20 5 DJBDHN C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000466893132 339220287 /nfs/dbraw/zinc/22/02/87/339220287.db2.gz BQLZDDFOPRYHKB-PIZKADEWSA-N 0 3 322.364 4.705 20 5 DJBDHN Cc1ccccc1[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000482159384 339625075 /nfs/dbraw/zinc/62/50/75/339625075.db2.gz OTULITJGCDVRLZ-LJQANCHMSA-N 0 3 312.413 4.699 20 5 DJBDHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000488005228 339768192 /nfs/dbraw/zinc/76/81/92/339768192.db2.gz IQROXICVPKTBQN-LIRRHRJNSA-N 0 3 310.397 4.631 20 5 DJBDHN Cc1ccc(CN[C@H](C)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000302614603 340277665 /nfs/dbraw/zinc/27/76/65/340277665.db2.gz VSWOIKMDLDMZJR-OAHLLOKOSA-N 0 3 312.413 4.877 20 5 DJBDHN CC(C)(NCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000545872612 341143692 /nfs/dbraw/zinc/14/36/92/341143692.db2.gz KQENVWJRZYZQCJ-UHFFFAOYSA-N 0 3 320.392 4.773 20 5 DJBDHN Cc1c([C@@H](C)N[C@@H]2CCCc3sccc32)cccc1[N+](=O)[O-] ZINC000134966755 341227464 /nfs/dbraw/zinc/22/74/64/341227464.db2.gz VNGPUUBHLOPDJQ-IUODEOHRSA-N 0 3 316.426 4.693 20 5 DJBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(F)c2ccccc21 ZINC000556064967 341493332 /nfs/dbraw/zinc/49/33/32/341493332.db2.gz TWQBNLPWKWAHQH-ZDUSSCGKSA-N 0 3 324.355 4.738 20 5 DJBDHN C[C@H](NCc1ccc2sccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000577564344 341918113 /nfs/dbraw/zinc/91/81/13/341918113.db2.gz AZJCMZURLZRKFB-LBPRGKRZSA-N 0 3 312.394 4.660 20 5 DJBDHN Cc1c([C@@H](C)N[C@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000178494420 341956178 /nfs/dbraw/zinc/95/61/78/341956178.db2.gz SRDOMZRAJYDHLR-AUUYWEPGSA-N 0 3 310.397 4.705 20 5 DJBDHN CC[C@@H](N[C@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000102196716 522948304 /nfs/dbraw/zinc/94/83/04/522948304.db2.gz HSTAMSJLYNSWDV-CVEARBPZSA-N 0 3 316.426 4.775 20 5 DJBDHN Cc1ccc([C@@H](C)NCc2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000275785064 130386323 /nfs/dbraw/zinc/38/63/23/130386323.db2.gz WLTSXWPZBZPJIW-GFCCVEGCSA-N 0 3 320.339 4.692 20 5 DJBDHN CC[C@H](N[C@H](C)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090068511 331978057 /nfs/dbraw/zinc/97/80/57/331978057.db2.gz RBPZKHCORDYKBT-PXAZEXFGSA-N 0 3 302.349 4.536 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000314053465 333084773 /nfs/dbraw/zinc/08/47/73/333084773.db2.gz PJMPZZKPFHUGMQ-QWHCGFSZSA-N 0 3 318.804 4.968 20 5 DJBDHN Cc1ccc(CN[C@@H](CC(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000390376836 333274364 /nfs/dbraw/zinc/27/43/64/333274364.db2.gz SXKIIRUYFJMLQI-SFHVURJKSA-N 0 3 312.413 4.780 20 5 DJBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000020545598 333321749 /nfs/dbraw/zinc/32/17/49/333321749.db2.gz KRNGZNCKUMEFER-RYUDHWBXSA-N 0 3 304.777 4.660 20 5 DJBDHN CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000531205108 333330662 /nfs/dbraw/zinc/33/06/62/333330662.db2.gz WRUIZTWMXOJKTK-DYVFJYSZSA-N 0 3 316.376 4.844 20 5 DJBDHN Cc1c([C@@H](C)NCc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000537937915 333336164 /nfs/dbraw/zinc/33/61/64/333336164.db2.gz FRSKZQDLDGLGMR-OAHLLOKOSA-N 0 3 320.392 4.907 20 5 DJBDHN Cc1ccc([C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000531688618 333545097 /nfs/dbraw/zinc/54/50/97/333545097.db2.gz RGMBLIBQOFPJMP-IFXJQAMLSA-N 0 3 310.397 4.705 20 5 DJBDHN Cc1cccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000531711630 333549311 /nfs/dbraw/zinc/54/93/11/333549311.db2.gz KIOIOLHVMCBYJM-HZPDHXFCSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1ccccc1[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000531717385 333550337 /nfs/dbraw/zinc/55/03/37/333550337.db2.gz QUYKPWHFMZHZOX-AUUYWEPGSA-N 0 3 310.397 4.705 20 5 DJBDHN C[C@H](N[C@H](c1ccccc1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000531960960 334316943 /nfs/dbraw/zinc/31/69/43/334316943.db2.gz JYSBCQMFMQLZFB-IFXJQAMLSA-N 0 3 310.397 4.787 20 5 DJBDHN CC[C@@H](N[C@H](C)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000049159411 334322871 /nfs/dbraw/zinc/32/28/71/334322871.db2.gz XUSDCNJCJHBXAD-IUODEOHRSA-N 0 3 304.415 4.767 20 5 DJBDHN CC[C@H](N[C@@H](C)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000049159396 334323044 /nfs/dbraw/zinc/32/30/44/334323044.db2.gz XUSDCNJCJHBXAD-WFASDCNBSA-N 0 3 304.415 4.767 20 5 DJBDHN CSc1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192756318 336260517 /nfs/dbraw/zinc/26/05/17/336260517.db2.gz DJIBSZJAHXBMOK-CHWSQXEVSA-N 0 3 316.426 4.729 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000192796402 336262228 /nfs/dbraw/zinc/26/22/28/336262228.db2.gz ZJRDIPLTXMBNQA-AUUYWEPGSA-N 0 3 310.397 4.705 20 5 DJBDHN O=[N+]([O-])c1ccccc1CN[C@@H](c1cccs1)C1CCCC1 ZINC000192836180 336265385 /nfs/dbraw/zinc/26/53/85/336265385.db2.gz WHSFWZSRSFGCMG-QGZVFWFLSA-N 0 3 316.426 4.677 20 5 DJBDHN CC[C@@H](N[C@@H](C)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000193024508 336287197 /nfs/dbraw/zinc/28/71/97/336287197.db2.gz RBPZKHCORDYKBT-YVEFUNNKSA-N 0 3 302.349 4.536 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000321698766 337284261 /nfs/dbraw/zinc/28/42/61/337284261.db2.gz ZQXMBMWHRFSAAE-JKSUJKDBSA-N 0 3 312.413 4.932 20 5 DJBDHN CCc1ccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000536911380 337847762 /nfs/dbraw/zinc/84/77/62/337847762.db2.gz VDOXPSDTLXNVSO-OLZOCXBDSA-N 0 3 318.442 4.939 20 5 DJBDHN CC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000537490503 337938120 /nfs/dbraw/zinc/93/81/20/337938120.db2.gz ABZAREUDJNGTTB-UHFFFAOYSA-N 0 3 320.776 4.540 20 5 DJBDHN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433149357 338183044 /nfs/dbraw/zinc/18/30/44/338183044.db2.gz ISLOWJWATIUGKT-SCLBCKFNSA-N 0 3 310.397 4.668 20 5 DJBDHN CC[C@@H](N[C@H](CC(F)(F)F)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000437071806 338299247 /nfs/dbraw/zinc/29/92/47/338299247.db2.gz AOUNGXRXMKPFCJ-ZIAGYGMSSA-N 0 3 318.339 4.613 20 5 DJBDHN Cc1c([C@@H](C)N[C@@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000437092445 338300439 /nfs/dbraw/zinc/30/04/39/338300439.db2.gz MCMNNGTTXSAMRG-YPMHNXCESA-N 0 3 318.339 4.531 20 5 DJBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H](c1ccccc1)C1CC1)CCC2 ZINC000447533162 338554687 /nfs/dbraw/zinc/55/46/87/338554687.db2.gz ZJDBCXZGGXAZEQ-VQTJNVASSA-N 0 3 322.408 4.713 20 5 DJBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(C3CC3)cc1)CCC2 ZINC000447596873 338561085 /nfs/dbraw/zinc/56/10/85/338561085.db2.gz DQOYUWRXNPSRFJ-HXUWFJFHSA-N 0 3 322.408 4.639 20 5 DJBDHN CCc1ccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000195613687 338910127 /nfs/dbraw/zinc/91/01/27/338910127.db2.gz NRWBZGPLUYVICE-LSDHHAIUSA-N 0 3 312.413 4.877 20 5 DJBDHN CC[C@H](N[C@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000195614327 338910222 /nfs/dbraw/zinc/91/02/22/338910222.db2.gz WNTYHWOGRVJMSH-RBUKOAKNSA-N 0 3 310.397 4.787 20 5 DJBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@H](C)c1cccs1 ZINC000470176650 339312936 /nfs/dbraw/zinc/31/29/36/339312936.db2.gz XRJGWFYNMRGVOG-QLKUMGTLSA-N 0 3 316.426 4.753 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1ccccc1)C(C)C ZINC000485799933 339713023 /nfs/dbraw/zinc/71/30/23/339713023.db2.gz KKIHFMNSRDBPSH-KXBFYZLASA-N 0 3 312.413 4.951 20 5 DJBDHN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000504900158 340155222 /nfs/dbraw/zinc/15/52/22/340155222.db2.gz SAQYCBRCIPNFSF-HBUWYVDXSA-N 0 3 310.397 4.802 20 5 DJBDHN CCC(CC)[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000507914472 340235785 /nfs/dbraw/zinc/23/57/85/340235785.db2.gz OWZZOHVONLCHQS-QGZVFWFLSA-N 0 3 318.442 4.923 20 5 DJBDHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000540221221 340924049 /nfs/dbraw/zinc/92/40/49/340924049.db2.gz VAQFWAFWVRKFIP-RDTXWAMCSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000544897201 341098288 /nfs/dbraw/zinc/09/82/88/341098288.db2.gz BKKYKTKXBLWCBV-HZPDHXFCSA-N 0 3 312.413 4.932 20 5 DJBDHN O=[N+]([O-])c1ccc(CNCc2cc(-c3ccccc3)cs2)cc1 ZINC000077290354 341222475 /nfs/dbraw/zinc/22/24/75/341222475.db2.gz WUOGUELHQAOSDK-UHFFFAOYSA-N 0 3 324.405 4.613 20 5 DJBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c2ccccc21 ZINC000551063137 341330758 /nfs/dbraw/zinc/33/07/58/341330758.db2.gz KWVDTICFMWOFOF-CYBMUJFWSA-N 0 3 324.355 4.738 20 5 DJBDHN C[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649579 341960918 /nfs/dbraw/zinc/96/09/18/341960918.db2.gz NSGGEJBZIHCZFR-PIGZYNQJSA-N 0 3 316.788 4.586 20 5 DJBDHN CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000525868736 335071065 /nfs/dbraw/zinc/07/10/65/335071065.db2.gz BXUDNHQIGKDXIY-SUMWQHHRSA-N 0 3 316.376 4.844 20 5 DJBDHN C[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000173361354 332828022 /nfs/dbraw/zinc/82/80/22/332828022.db2.gz LNDVCBZJMVVSFO-APPDUMDISA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1ccccc1[C@@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000409668694 332043412 /nfs/dbraw/zinc/04/34/12/332043412.db2.gz RDAHZFVJLVEWNO-OAHLLOKOSA-N 0 3 312.413 4.877 20 5 DJBDHN C[C@H](N[C@H]1c2ccccc2CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000560910575 332394310 /nfs/dbraw/zinc/39/43/10/332394310.db2.gz UQMDSBAOHZHZCH-CKFHNAJUSA-N 0 3 310.397 4.569 20 5 DJBDHN Cc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)C2CCC2)cc1 ZINC000427718346 332498583 /nfs/dbraw/zinc/49/85/83/332498583.db2.gz LZDGURMHZVMQOO-IBGZPJMESA-N 0 3 310.397 4.534 20 5 DJBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186842525 333379622 /nfs/dbraw/zinc/37/96/22/333379622.db2.gz AXVMSVIXLWDSJS-SJCJKPOMSA-N 0 3 302.349 4.536 20 5 DJBDHN Cc1ccc([C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000390962621 333411657 /nfs/dbraw/zinc/41/16/57/333411657.db2.gz LIAOCCMNOGMDQS-AUUYWEPGSA-N 0 3 310.397 4.705 20 5 DJBDHN Cc1ccccc1[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000531717388 333550375 /nfs/dbraw/zinc/55/03/75/333550375.db2.gz QUYKPWHFMZHZOX-LIRRHRJNSA-N 0 3 310.397 4.705 20 5 DJBDHN Cc1cc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000531943720 334299873 /nfs/dbraw/zinc/29/98/73/334299873.db2.gz IDKYCIJQCYMOMZ-STQMWFEESA-N 0 3 318.442 4.993 20 5 DJBDHN CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000049529260 334345346 /nfs/dbraw/zinc/34/53/46/334345346.db2.gz UJFHJSOWYVDRCK-JSGCOSHPSA-N 0 3 304.415 4.767 20 5 DJBDHN Cc1ccc(CN[C@H](c2ccccc2)C2CCCC2)cc1[N+](=O)[O-] ZINC000520216989 335937517 /nfs/dbraw/zinc/93/75/17/335937517.db2.gz BDBIPIJDXHOGOV-HXUWFJFHSA-N 0 3 324.424 4.924 20 5 DJBDHN C[C@H](N[C@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000526112981 336165503 /nfs/dbraw/zinc/16/55/03/336165503.db2.gz QRAITTUTDJPOPC-UAGQMJEPSA-N 0 3 310.397 4.582 20 5 DJBDHN CC[C@@H](N[C@H](C)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000193024529 336287097 /nfs/dbraw/zinc/28/70/97/336287097.db2.gz RBPZKHCORDYKBT-SJKOYZFVSA-N 0 3 302.349 4.536 20 5 DJBDHN Cc1cc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1F ZINC000536807227 337394790 /nfs/dbraw/zinc/39/47/90/337394790.db2.gz RQOZZYHECDKSNL-UONOGXRCSA-N 0 3 316.376 4.763 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000120383659 337874880 /nfs/dbraw/zinc/87/48/80/337874880.db2.gz XIXSJSBINOLDHH-LIRRHRJNSA-N 0 3 310.397 4.705 20 5 DJBDHN C[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433149353 338183107 /nfs/dbraw/zinc/18/31/07/338183107.db2.gz ISLOWJWATIUGKT-ACJLOTCBSA-N 0 3 310.397 4.668 20 5 DJBDHN Cc1oc2ccccc2c1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000468019324 339251287 /nfs/dbraw/zinc/25/12/87/339251287.db2.gz GRQBMOOQZXDUNU-ZDUSSCGKSA-N 0 3 324.380 4.809 20 5 DJBDHN Cc1ccc2[nH]c(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2c1C ZINC000472053609 339361114 /nfs/dbraw/zinc/36/11/14/339361114.db2.gz IITABLFKVULRDI-AWEZNQCLSA-N 0 3 323.396 4.544 20 5 DJBDHN C[C@H](N[C@@H]1CCc2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479254706 339529990 /nfs/dbraw/zinc/52/99/90/339529990.db2.gz WEMLWZZRLYOGRC-APPDUMDISA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1c([C@@H](C)N[C@H](C)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000479869085 339551599 /nfs/dbraw/zinc/55/15/99/339551599.db2.gz VTCCCIAQTZXRRX-CHWSQXEVSA-N 0 3 318.804 4.968 20 5 DJBDHN CC[C@H](N[C@H](c1cccs1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000480238163 339564631 /nfs/dbraw/zinc/56/46/31/339564631.db2.gz ASJVMWZJCMGWLD-RDJZCZTQSA-N 0 3 316.426 4.848 20 5 DJBDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000482448961 339631825 /nfs/dbraw/zinc/63/18/25/339631825.db2.gz GXYLFTAHJIBTRK-KUHUBIRLSA-N 0 3 310.397 4.787 20 5 DJBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccsc2)CC1 ZINC000486009981 339718383 /nfs/dbraw/zinc/71/83/83/339718383.db2.gz VWJZIZBDNQOUQF-ZDUSSCGKSA-N 0 3 316.426 4.597 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000487920538 339765956 /nfs/dbraw/zinc/76/59/56/339765956.db2.gz UZKJXDARAUGKQJ-CHWSQXEVSA-N 0 3 318.804 4.968 20 5 DJBDHN Cc1ccc([C@H](C)NCc2ccc3occc3c2)cc1[N+](=O)[O-] ZINC000512044714 340346563 /nfs/dbraw/zinc/34/65/63/340346563.db2.gz HIECLJQIELFWPN-ZDUSSCGKSA-N 0 3 310.353 4.500 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000219863701 340510696 /nfs/dbraw/zinc/51/06/96/340510696.db2.gz QQJBKTFDFCWNPS-CHWSQXEVSA-N 0 3 318.804 4.968 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000219866884 340510858 /nfs/dbraw/zinc/51/08/58/340510858.db2.gz QXKCNWDTWKAPSO-KDOFPFPSSA-N 0 3 310.397 4.631 20 5 DJBDHN Cc1ccc([C@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000302925626 340631549 /nfs/dbraw/zinc/63/15/49/340631549.db2.gz CPMOCFTZNWOKHY-HNNXBMFYSA-N 0 3 312.413 4.877 20 5 DJBDHN Cc1c(CN[C@@H](CC(C)C)c2cccs2)cccc1[N+](=O)[O-] ZINC000543486420 341047057 /nfs/dbraw/zinc/04/70/57/341047057.db2.gz ICKUPENMHAZJMJ-HNNXBMFYSA-N 0 3 318.442 4.842 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC(C)(C)c1cccs1 ZINC000543501133 341047685 /nfs/dbraw/zinc/04/76/85/341047685.db2.gz FMADCFLAKHEEKU-GFCCVEGCSA-N 0 3 304.415 4.551 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000546223830 341157678 /nfs/dbraw/zinc/15/76/78/341157678.db2.gz KRMBQUNRFCEYSR-HOTGVXAUSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1c(C)cccc1C ZINC000546224112 341157705 /nfs/dbraw/zinc/15/77/05/341157705.db2.gz KRMBQUNRFCEYSR-HZPDHXFCSA-N 0 3 312.413 4.932 20 5 DJBDHN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000079723745 341264585 /nfs/dbraw/zinc/26/45/85/341264585.db2.gz XMDOEPDYJWKGCB-SJKOYZFVSA-N 0 3 302.349 4.536 20 5 DJBDHN Cc1ccc([C@H](C)N[C@@H]2C[C@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000552905519 341408350 /nfs/dbraw/zinc/40/83/50/341408350.db2.gz HFTAUVAMFXROLV-SUNYJGFJSA-N 0 3 310.397 4.802 20 5 DJBDHN Cc1c(CN[C@H](C)c2cccc(C3CC3)c2)cccc1[N+](=O)[O-] ZINC000556179798 341496437 /nfs/dbraw/zinc/49/64/37/341496437.db2.gz XNWYIJJZMSNDMK-CQSZACIVSA-N 0 3 310.397 4.631 20 5 DJBDHN Cc1c(CN[C@@H](C)c2cccc(C3CC3)c2)cccc1[N+](=O)[O-] ZINC000556179795 341496540 /nfs/dbraw/zinc/49/65/40/341496540.db2.gz XNWYIJJZMSNDMK-AWEZNQCLSA-N 0 3 310.397 4.631 20 5 DJBDHN Cc1c([C@@H](C)N[C@@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000178494405 341956217 /nfs/dbraw/zinc/95/62/17/341956217.db2.gz SRDOMZRAJYDHLR-KUHUBIRLSA-N 0 3 310.397 4.705 20 5 DJBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccs1 ZINC000022746006 182332594 /nfs/dbraw/zinc/33/25/94/182332594.db2.gz HESAKXANIWJJOQ-SWLSCSKDSA-N 0 3 302.399 4.554 20 5 DJBDHN C[C@H](N[C@H]1CCc2c1cccc2Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178649481 333017384 /nfs/dbraw/zinc/01/73/84/333017384.db2.gz LKYHVBIAYCVJQX-GTNSWQLSSA-N 0 3 316.788 4.586 20 5 DJBDHN CCC[C@@H](NCc1ccc(CC)s1)c1cccc([N+](=O)[O-])c1 ZINC000319142467 333264340 /nfs/dbraw/zinc/26/43/40/333264340.db2.gz UOLGWPBYBRLJDD-QGZVFWFLSA-N 0 3 318.442 4.850 20 5 DJBDHN CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000531205109 333330796 /nfs/dbraw/zinc/33/07/96/333330796.db2.gz WRUIZTWMXOJKTK-GUYCJALGSA-N 0 3 316.376 4.844 20 5 DJBDHN Cc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000541767987 333811791 /nfs/dbraw/zinc/81/17/91/333811791.db2.gz BADLDIXYCBHVRA-CYBMUJFWSA-N 0 3 318.804 4.716 20 5 DJBDHN CC[C@H](N[C@H](C)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000049159406 334322818 /nfs/dbraw/zinc/32/28/18/334322818.db2.gz XUSDCNJCJHBXAD-DOMZBBRYSA-N 0 3 304.415 4.767 20 5 DJBDHN CCC[C@H](NCc1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000050225212 334376543 /nfs/dbraw/zinc/37/65/43/334376543.db2.gz GRDXPTPFVYZURU-INIZCTEOSA-N 0 3 304.415 4.596 20 5 DJBDHN CCC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000191223048 335640942 /nfs/dbraw/zinc/64/09/42/335640942.db2.gz UONQJQPETJYWEN-MLGOLLRUSA-N 0 3 304.415 4.848 20 5 DJBDHN CCC[C@@H](NCc1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000094875026 335757730 /nfs/dbraw/zinc/75/77/30/335757730.db2.gz BZGKYQZSKLHGQF-OAHLLOKOSA-N 0 3 304.415 4.596 20 5 DJBDHN Cc1ccccc1[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532510981 336252928 /nfs/dbraw/zinc/25/29/28/336252928.db2.gz BFVFHSIOPRKZKE-IFXJQAMLSA-N 0 3 310.397 4.705 20 5 DJBDHN CCC[C@@H](NCc1cc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000379263514 336261883 /nfs/dbraw/zinc/26/18/83/336261883.db2.gz IQPAWQMLXUGELF-MRXNPFEDSA-N 0 3 304.415 4.596 20 5 DJBDHN CCC[C@H](NCc1cc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000379263513 336261912 /nfs/dbraw/zinc/26/19/12/336261912.db2.gz IQPAWQMLXUGELF-INIZCTEOSA-N 0 3 304.415 4.596 20 5 DJBDHN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536825194 337604093 /nfs/dbraw/zinc/60/40/93/337604093.db2.gz FNAMVLXVVSUIPP-KDOFPFPSSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536825188 337604105 /nfs/dbraw/zinc/60/41/05/337604105.db2.gz FNAMVLXVVSUIPP-KBXCAEBGSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc([C@H](C)N[C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000437098965 338300948 /nfs/dbraw/zinc/30/09/48/338300948.db2.gz YAZXBMRTBWPASX-WCQYABFASA-N 0 3 318.339 4.531 20 5 DJBDHN C[C@H](N[C@H]1CCc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000451103090 338721181 /nfs/dbraw/zinc/72/11/81/338721181.db2.gz MLFWIPWOZNGORA-GTNSWQLSSA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1ccccc1[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000467863677 339248090 /nfs/dbraw/zinc/24/80/90/339248090.db2.gz MAIQEBKHUUHRIY-DNVCBOLYSA-N 0 3 312.413 4.951 20 5 DJBDHN Cc1oc2ccccc2c1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000468019323 339251284 /nfs/dbraw/zinc/25/12/84/339251284.db2.gz GRQBMOOQZXDUNU-CYBMUJFWSA-N 0 3 324.380 4.809 20 5 DJBDHN Cc1ccc2[nH]c(CN[C@H](C)c3cccc([N+](=O)[O-])c3)cc2c1C ZINC000472053611 339361148 /nfs/dbraw/zinc/36/11/48/339361148.db2.gz IITABLFKVULRDI-CQSZACIVSA-N 0 3 323.396 4.544 20 5 DJBDHN C[C@@H](N[C@H]1CCc2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479254708 339529944 /nfs/dbraw/zinc/52/99/44/339529944.db2.gz WEMLWZZRLYOGRC-DIFFPNOSSA-N 0 3 316.788 4.586 20 5 DJBDHN Cc1c([C@@H](C)N[C@H](c2cccs2)C2CC2)cccc1[N+](=O)[O-] ZINC000480241485 339564837 /nfs/dbraw/zinc/56/48/37/339564837.db2.gz PBMWJKICRMFFNW-PXAZEXFGSA-N 0 3 316.426 4.767 20 5 DJBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](c1ccc(F)cc1)C(C)C ZINC000500492896 340060672 /nfs/dbraw/zinc/06/06/72/340060672.db2.gz CHDATIIZFSUEIC-SFHVURJKSA-N 0 3 316.376 4.529 20 5 DJBDHN C[C@H](NCc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000237502822 340671493 /nfs/dbraw/zinc/67/14/93/340671493.db2.gz JQPJAMHSVRWXTC-AWEZNQCLSA-N 0 3 306.365 4.599 20 5 DJBDHN Cc1ccc2ccccc2c1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000538228087 340814141 /nfs/dbraw/zinc/81/41/41/340814141.db2.gz ODTBUMYVYUZXAB-HNNXBMFYSA-N 0 3 320.392 4.907 20 5 DJBDHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000540221217 340924112 /nfs/dbraw/zinc/92/41/12/340924112.db2.gz VAQFWAFWVRKFIP-KSSFIOAISA-N 0 3 310.397 4.550 20 5 DJBDHN C[C@H](N[C@H]1c2ccccc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000541846872 340985579 /nfs/dbraw/zinc/98/55/79/340985579.db2.gz DXUSZBBZJDREQW-BIENJYKASA-N 0 3 310.397 4.569 20 5 DJBDHN Cc1cc([N+](=O)[O-])ccc1CNC(C)(C)c1cccc(Cl)c1 ZINC000542705143 341018340 /nfs/dbraw/zinc/01/83/40/341018340.db2.gz PPJJRQOSSVVHBD-UHFFFAOYSA-N 0 3 318.804 4.582 20 5 DJBDHN Cc1oc2ccccc2c1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000545164663 341110909 /nfs/dbraw/zinc/11/09/09/341110909.db2.gz ABNJZXBEZHWNOY-UHFFFAOYSA-N 0 3 324.380 4.674 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000546223829 341157652 /nfs/dbraw/zinc/15/76/52/341157652.db2.gz KRMBQUNRFCEYSR-CVEARBPZSA-N 0 3 312.413 4.932 20 5 DJBDHN CC[C@@H](CC(F)(F)F)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000546879113 341185076 /nfs/dbraw/zinc/18/50/76/341185076.db2.gz TYCDTXLUTHWIEI-LBPRGKRZSA-N 0 3 318.339 4.539 20 5 DJBDHN Cc1cccc([C@@H](NCc2ccccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000521479841 518190653 /nfs/dbraw/zinc/19/06/53/518190653.db2.gz IPYAFMVSOWZUKE-GOSISDBHSA-N 0 3 312.413 4.780 20 5 DJBDHN Cc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])C2CCC2)cc1 ZINC000427551968 332449585 /nfs/dbraw/zinc/44/95/85/332449585.db2.gz ZWYBDVMSAOYHGQ-IBGZPJMESA-N 0 3 310.397 4.534 20 5 DJBDHN CC(C)[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000378920255 333063621 /nfs/dbraw/zinc/06/36/21/333063621.db2.gz YBEKBNSJFSNCGS-KRWDZBQOSA-N 0 3 318.804 4.735 20 5 DJBDHN CC(C)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000390683025 333314992 /nfs/dbraw/zinc/31/49/92/333314992.db2.gz VBIZNRKHOGCWBU-SCLBCKFNSA-N 0 3 316.376 4.782 20 5 DJBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000020545597 333321824 /nfs/dbraw/zinc/32/18/24/333321824.db2.gz KRNGZNCKUMEFER-NEPJUHHUSA-N 0 3 304.777 4.660 20 5 DJBDHN CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000531205100 333330904 /nfs/dbraw/zinc/33/09/04/333330904.db2.gz WRUIZTWMXOJKTK-CXAGYDPISA-N 0 3 316.376 4.844 20 5 DJBDHN Cc1ccccc1[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000531717386 333550325 /nfs/dbraw/zinc/55/03/25/333550325.db2.gz QUYKPWHFMZHZOX-IFXJQAMLSA-N 0 3 310.397 4.705 20 5 DJBDHN Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531719732 333550699 /nfs/dbraw/zinc/55/06/99/333550699.db2.gz IDYMKYKRUSMIGM-CVEARBPZSA-N 0 3 312.413 4.932 20 5 DJBDHN Cc1cc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000531943719 334299980 /nfs/dbraw/zinc/29/99/80/334299980.db2.gz IDKYCIJQCYMOMZ-QWHCGFSZSA-N 0 3 318.442 4.993 20 5 DJBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000417357811 334707419 /nfs/dbraw/zinc/70/74/19/334707419.db2.gz SDNANARXZJGGLZ-KGLIPLIRSA-N 0 3 310.397 4.884 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCc2ccccc21 ZINC000532442732 336247644 /nfs/dbraw/zinc/24/76/44/336247644.db2.gz URIJFDGNIZUSGY-AUUYWEPGSA-N 0 3 310.397 4.631 20 5 DJBDHN Cc1ccccc1[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532510983 336252970 /nfs/dbraw/zinc/25/29/70/336252970.db2.gz BFVFHSIOPRKZKE-LIRRHRJNSA-N 0 3 310.397 4.705 20 5 DJBDHN Cc1c(CN[C@@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000532687820 336267537 /nfs/dbraw/zinc/26/75/37/336267537.db2.gz DTHOXJQBYLBUHV-IBGZPJMESA-N 0 3 310.397 4.534 20 5 DJBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000321549380 337276125 /nfs/dbraw/zinc/27/61/25/337276125.db2.gz VWGSYQKOEQUOST-KBPBESRZSA-N 0 3 316.376 4.763 20 5 DJBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000321549387 337276177 /nfs/dbraw/zinc/27/61/77/337276177.db2.gz VWGSYQKOEQUOST-ZIAGYGMSSA-N 0 3 316.376 4.763 20 5 DJBDHN C[C@H](N[C@@H]1CCCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000321648333 337281525 /nfs/dbraw/zinc/28/15/25/337281525.db2.gz QIMRGDXMAVYFSG-IFXJQAMLSA-N 0 3 310.397 4.713 20 5 DJBDHN Cc1cc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1F ZINC000536807226 337394737 /nfs/dbraw/zinc/39/47/37/337394737.db2.gz RQOZZYHECDKSNL-KGLIPLIRSA-N 0 3 316.376 4.763 20 5 DJBDHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000426288313 338024635 /nfs/dbraw/zinc/02/46/35/338024635.db2.gz IQROXICVPKTBQN-AUUYWEPGSA-N 0 3 310.397 4.631 20 5 DJBDHN C[C@@H](N[C@@H]1CC[C@@H](C)c2ccsc21)c1cccc([N+](=O)[O-])c1 ZINC000453077938 338791011 /nfs/dbraw/zinc/79/10/11/338791011.db2.gz WRHYCJMZAOMRID-XHBSWPGZSA-N 0 3 316.426 4.946 20 5 DJBDHN Cc1c(CN[C@H]2CC[C@@H](C)c3ccsc32)cccc1[N+](=O)[O-] ZINC000453209492 338808234 /nfs/dbraw/zinc/80/82/34/338808234.db2.gz LLNMPEUCXMGPHZ-ABAIWWIYSA-N 0 3 316.426 4.693 20 5 DJBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1cccc(Cl)c1 ZINC000195673454 338913858 /nfs/dbraw/zinc/91/38/58/338913858.db2.gz CHDBJUFYQXYTRZ-INIZCTEOSA-N 0 3 318.804 4.798 20 5 DJBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1c1cccs1 ZINC000506112053 340185938 /nfs/dbraw/zinc/18/59/38/340185938.db2.gz GJLYNYHLMXJHEP-NKPXIPJASA-N 0 3 314.410 4.507 20 5 DJBDHN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539042160 340866441 /nfs/dbraw/zinc/86/64/41/340866441.db2.gz VWDQSIKVVRPIQH-IFXJQAMLSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1cccc2c1CC[C@H]2N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540179567 340921023 /nfs/dbraw/zinc/92/10/23/340921023.db2.gz XLMKWJBCDVFVKB-AUUYWEPGSA-N 0 3 310.397 4.550 20 5 DJBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC(C)(C)c1cccs1 ZINC000543501134 341047628 /nfs/dbraw/zinc/04/76/28/341047628.db2.gz FMADCFLAKHEEKU-LBPRGKRZSA-N 0 3 304.415 4.551 20 5 DJBDHN Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000544606940 341088508 /nfs/dbraw/zinc/08/85/08/341088508.db2.gz NGRVAQDRPLMHFA-ZDUSSCGKSA-N 0 3 318.804 4.716 20 5 DJBDHN CCC[C@@H](N[C@@H](CC)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000546165328 341155466 /nfs/dbraw/zinc/15/54/66/341155466.db2.gz DZTACNIHEOJEJJ-GXTWGEPZSA-N 0 3 318.339 4.757 20 5 DJBDHN C[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000550620377 341319579 /nfs/dbraw/zinc/31/95/79/341319579.db2.gz ZWQWLNIWSXNHNG-UONOGXRCSA-N 0 3 310.397 4.884 20 5 DJBDHN Cc1c([C@H](C)N[C@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000178494425 341956189 /nfs/dbraw/zinc/95/61/89/341956189.db2.gz SRDOMZRAJYDHLR-IFXJQAMLSA-N 0 3 310.397 4.705 20 5 DJBDHN Cc1c([C@H](C)N[C@@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000178494412 341956223 /nfs/dbraw/zinc/95/62/23/341956223.db2.gz SRDOMZRAJYDHLR-LIRRHRJNSA-N 0 3 310.397 4.705 20 5 DJBDHN