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]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000525868734 335071167 /nfs/dbraw/zinc/07/11/67/335071167.db2.gz BXUDNHQIGKDXIY-DYVFJYSZSA-N 1 0 316.376 4.844 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000102196734 332917896 /nfs/dbraw/zinc/91/78/96/332917896.db2.gz NZIUHXNDNJKDLD-DOMZBBRYSA-N 1 0 316.426 4.693 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC000539296196 331696231 /nfs/dbraw/zinc/69/62/31/331696231.db2.gz YRMPRQPIAAVSBQ-QWRGUYRKSA-N 1 0 322.767 4.799 20 5 DJBDRO Cc1cc2cc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)ccc2[nH]1 ZINC000556913060 331753020 /nfs/dbraw/zinc/75/30/20/331753020.db2.gz PYVZPNAQZDTWPI-AWEZNQCLSA-N 1 0 323.396 4.544 20 5 DJBDRO Cc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C2CCC2)cc1 ZINC000427551969 332449630 /nfs/dbraw/zinc/44/96/30/332449630.db2.gz ZWYBDVMSAOYHGQ-LJQANCHMSA-N 1 0 310.397 4.534 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000317211142 332700776 /nfs/dbraw/zinc/70/07/76/332700776.db2.gz GIZVWQQJTUTHQZ-MNOVXSKESA-N 1 0 322.767 4.799 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178649450 333017291 /nfs/dbraw/zinc/01/72/91/333017291.db2.gz LKYHVBIAYCVJQX-APPDUMDISA-N 1 0 316.788 4.586 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649565 333017316 /nfs/dbraw/zinc/01/73/16/333017316.db2.gz NSGGEJBZIHCZFR-APPDUMDISA-N 1 0 316.788 4.586 20 5 DJBDRO CCC[C@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000314044030 333084325 /nfs/dbraw/zinc/08/43/25/333084325.db2.gz FMKVGZXDKNKERW-KRWDZBQOSA-N 1 0 318.804 4.879 20 5 DJBDRO CCC[C@H]([NH2+]Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000314337899 333102924 /nfs/dbraw/zinc/10/29/24/333102924.db2.gz JWRRCJYPDLKDNC-KRWDZBQOSA-N 1 0 318.804 4.879 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000314339355 333102978 /nfs/dbraw/zinc/10/29/78/333102978.db2.gz JWRRCJYPDLKDNC-QGZVFWFLSA-N 1 0 318.804 4.879 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000320707322 335130430 /nfs/dbraw/zinc/13/04/30/335130430.db2.gz ZIEBVTSARMFICJ-QGZVFWFLSA-N 1 0 320.339 4.504 20 5 DJBDRO CC(C)(C)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000390359820 333271648 /nfs/dbraw/zinc/27/16/48/333271648.db2.gz CMYZYZMJUACQGG-QGZVFWFLSA-N 1 0 312.413 4.862 20 5 DJBDRO CC(C)(C)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000390359819 333271673 /nfs/dbraw/zinc/27/16/73/333271673.db2.gz CMYZYZMJUACQGG-KRWDZBQOSA-N 1 0 312.413 4.862 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000020526141 333319951 /nfs/dbraw/zinc/31/99/51/333319951.db2.gz KSKWSUFMOWZJFS-NWDGAFQWSA-N 1 0 304.777 4.660 20 5 DJBDRO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000319687771 333397027 /nfs/dbraw/zinc/39/70/27/333397027.db2.gz BHXZNLPWWJRSEO-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000319840297 333412509 /nfs/dbraw/zinc/41/25/09/333412509.db2.gz OFXJWIGUJWZIAN-HNAYVOBHSA-N 1 0 312.413 4.951 20 5 DJBDRO Cc1ccc([C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000531688617 333545020 /nfs/dbraw/zinc/54/50/20/333545020.db2.gz RGMBLIBQOFPJMP-AUUYWEPGSA-N 1 0 310.397 4.705 20 5 DJBDRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000531713032 333549573 /nfs/dbraw/zinc/54/95/73/333549573.db2.gz YHVBFPYCLCOKTP-SMDDNHRTSA-N 1 0 318.442 4.555 20 5 DJBDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000531943718 334299839 /nfs/dbraw/zinc/29/98/39/334299839.db2.gz IDKYCIJQCYMOMZ-OLZOCXBDSA-N 1 0 318.442 4.993 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000531944246 334300132 /nfs/dbraw/zinc/30/01/32/334300132.db2.gz NDMXRIKZSRHPSR-SJCJKPOMSA-N 1 0 316.426 4.767 20 5 DJBDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000531960959 334316998 /nfs/dbraw/zinc/31/69/98/334316998.db2.gz JYSBCQMFMQLZFB-AUUYWEPGSA-N 1 0 310.397 4.787 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000049159201 334322995 /nfs/dbraw/zinc/32/29/95/334322995.db2.gz UVNXDXDXINMCTR-CHWSQXEVSA-N 1 0 304.415 4.685 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000049529261 334345394 /nfs/dbraw/zinc/34/53/94/334345394.db2.gz UJFHJSOWYVDRCK-GXTWGEPZSA-N 1 0 304.415 4.767 20 5 DJBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000443995655 338466067 /nfs/dbraw/zinc/46/60/67/338466067.db2.gz RKBBKOHDZJPIIZ-ZDUSSCGKSA-N 1 0 318.804 4.716 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000192796419 336262191 /nfs/dbraw/zinc/26/21/91/336262191.db2.gz ZJRDIPLTXMBNQA-IFXJQAMLSA-N 1 0 310.397 4.705 20 5 DJBDRO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000321648334 337281513 /nfs/dbraw/zinc/28/15/13/337281513.db2.gz QIMRGDXMAVYFSG-KUHUBIRLSA-N 1 0 310.397 4.713 20 5 DJBDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000321946716 337306688 /nfs/dbraw/zinc/30/66/88/337306688.db2.gz GFSFVVGDKXWYQA-AWEZNQCLSA-N 1 0 312.413 4.743 20 5 DJBDRO C[C@H]([NH2+]Cc1csc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000536805801 337394704 /nfs/dbraw/zinc/39/47/04/337394704.db2.gz KKCCTDPHSMZYDQ-LBPRGKRZSA-N 1 0 312.394 4.660 20 5 DJBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536825197 337604057 /nfs/dbraw/zinc/60/40/57/337604057.db2.gz FNAMVLXVVSUIPP-RDTXWAMCSA-N 1 0 310.397 4.550 20 5 DJBDRO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000536911382 337847759 /nfs/dbraw/zinc/84/77/59/337847759.db2.gz VDOXPSDTLXNVSO-STQMWFEESA-N 1 0 318.442 4.939 20 5 DJBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)CCC2 ZINC000447533160 338554694 /nfs/dbraw/zinc/55/46/94/338554694.db2.gz ZJDBCXZGGXAZEQ-UXHICEINSA-N 1 0 322.408 4.713 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000451118662 338721924 /nfs/dbraw/zinc/72/19/24/338721924.db2.gz YBPKHZBNQVEDTH-KGLIPLIRSA-N 1 0 310.397 4.884 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccsc21)c1ccc([N+](=O)[O-])cc1 ZINC000453230638 338811286 /nfs/dbraw/zinc/81/12/86/338811286.db2.gz SGZQAMKNLUENSB-BFQNTYOBSA-N 1 0 316.426 4.946 20 5 DJBDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000195746928 338914905 /nfs/dbraw/zinc/91/49/05/338914905.db2.gz DOHHHLYQKNZTIN-LBPRGKRZSA-N 1 0 318.804 4.661 20 5 DJBDRO C[C@@H]([NH2+]CCCCF)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000462818267 339091626 /nfs/dbraw/zinc/09/16/26/339091626.db2.gz PDJMIOCFXSLEQE-GFCCVEGCSA-N 1 0 322.405 4.724 20 5 DJBDRO Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])cc2c1C ZINC000472038211 339359916 /nfs/dbraw/zinc/35/99/16/339359916.db2.gz MNRCECMTUUJKHK-AWEZNQCLSA-N 1 0 323.396 4.544 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@@H](c2cccs2)C2CC2)cccc1[N+](=O)[O-] ZINC000480241487 339564716 /nfs/dbraw/zinc/56/47/16/339564716.db2.gz PBMWJKICRMFFNW-SJKOYZFVSA-N 1 0 316.426 4.767 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000506277095 340190867 /nfs/dbraw/zinc/19/08/67/340190867.db2.gz JGXCPHZGAKQQMM-CYBMUJFWSA-N 1 0 314.385 4.523 20 5 DJBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccc(F)cc1 ZINC000507719512 340229420 /nfs/dbraw/zinc/22/94/20/340229420.db2.gz SVMQYIQAJUSLON-AWEZNQCLSA-N 1 0 316.376 4.625 20 5 DJBDRO CSc1ccccc1C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000511102234 340320768 /nfs/dbraw/zinc/32/07/68/340320768.db2.gz QVNRVLSEVSGPPB-ZDUSSCGKSA-N 1 0 316.426 4.510 20 5 DJBDRO Cc1ccc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000513085661 340392728 /nfs/dbraw/zinc/39/27/28/340392728.db2.gz FETHCDNJJATDFR-UHFFFAOYSA-N 1 0 312.413 4.625 20 5 DJBDRO Cc1oc2ccccc2c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000185047177 340497564 /nfs/dbraw/zinc/49/75/64/340497564.db2.gz WVIIALUZEQKQBB-LBPRGKRZSA-N 1 0 310.353 4.500 20 5 DJBDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc(C)c1F ZINC000538198240 340812947 /nfs/dbraw/zinc/81/29/47/340812947.db2.gz OWYVAEMMKWSLKB-UONOGXRCSA-N 1 0 316.376 4.763 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000538299212 340816878 /nfs/dbraw/zinc/81/68/78/340816878.db2.gz ULWZPYOUZJHLML-HNNXBMFYSA-N 1 0 320.392 4.907 20 5 DJBDRO CC[C@H]([NH2+][C@H]1CCc2cc(C)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000540139254 340916170 /nfs/dbraw/zinc/91/61/70/340916170.db2.gz PJKVHUSZYPALJZ-OALUTQOASA-N 1 0 310.397 4.631 20 5 DJBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540179569 340921026 /nfs/dbraw/zinc/92/10/26/340921026.db2.gz XLMKWJBCDVFVKB-KUHUBIRLSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540179319 340921069 /nfs/dbraw/zinc/92/10/69/340921069.db2.gz QTVNWMVRIBHHTJ-KSSFIOAISA-N 1 0 310.397 4.550 20 5 DJBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000544398060 341080092 /nfs/dbraw/zinc/08/00/92/341080092.db2.gz POHFUYGFGQNAAH-OAHLLOKOSA-N 1 0 322.817 4.551 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000545235846 341116325 /nfs/dbraw/zinc/11/63/25/341116325.db2.gz PYWXCECEIUBMRL-LRDDRELGSA-N 1 0 316.426 4.693 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000545980085 341149419 /nfs/dbraw/zinc/14/94/19/341149419.db2.gz CTTJUTHDWPQSMU-ODIFPOPNSA-N 1 0 310.397 4.500 20 5 DJBDRO CCC[C@H]([NH2+][C@H](CC)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000546165330 341155480 /nfs/dbraw/zinc/15/54/80/341155480.db2.gz DZTACNIHEOJEJJ-OCCSQVGLSA-N 1 0 318.339 4.757 20 5 DJBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000546225946 341157808 /nfs/dbraw/zinc/15/78/08/341157808.db2.gz TVFVLDUFSBSQHZ-CYBMUJFWSA-N 1 0 318.804 4.716 20 5 DJBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000077221001 341221098 /nfs/dbraw/zinc/22/10/98/341221098.db2.gz PEXDJRVDBQBAID-CYBMUJFWSA-N 1 0 310.353 4.500 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000079723734 341264600 /nfs/dbraw/zinc/26/46/00/341264600.db2.gz XMDOEPDYJWKGCB-YVEFUNNKSA-N 1 0 302.349 4.536 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)c1ccccc1[N+](=O)[O-] ZINC000551103589 341331822 /nfs/dbraw/zinc/33/18/22/341331822.db2.gz LYWYVEOVJALHTL-UONOGXRCSA-N 1 0 310.397 4.884 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000551103588 341331897 /nfs/dbraw/zinc/33/18/97/341331897.db2.gz LYWYVEOVJALHTL-KGLIPLIRSA-N 1 0 310.397 4.884 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000090078075 341413188 /nfs/dbraw/zinc/41/31/88/341413188.db2.gz CREIXQKSWLEQID-PIGZYNQJSA-N 1 0 320.339 4.675 20 5 DJBDRO C[C@@H]([NH2+]Cc1cc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000556218033 341497721 /nfs/dbraw/zinc/49/77/21/341497721.db2.gz PIBDBDQWNSDBAF-GFCCVEGCSA-N 1 0 312.394 4.660 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000153560292 341574770 /nfs/dbraw/zinc/57/47/70/341574770.db2.gz VEOCAUKIEWFMQJ-NWDGAFQWSA-N 1 0 320.339 4.593 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1nccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000567432388 341604514 /nfs/dbraw/zinc/60/45/14/341604514.db2.gz SENJAMVWTANOBX-KBPBESRZSA-N 1 0 321.380 4.555 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccc2sccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000577564343 341918075 /nfs/dbraw/zinc/91/80/75/341918075.db2.gz AZJCMZURLZRKFB-GFCCVEGCSA-N 1 0 312.394 4.660 20 5 DJBDRO Cc1c(C[NH2+]Cc2ccc(C(C)(C)C)s2)cccc1[N+](=O)[O-] ZINC000318086960 332598198 /nfs/dbraw/zinc/59/81/98/332598198.db2.gz SZFNTFXBZLYENV-UHFFFAOYSA-N 1 0 318.442 4.552 20 5 DJBDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000390683023 333314914 /nfs/dbraw/zinc/31/49/14/333314914.db2.gz VBIZNRKHOGCWBU-ACJLOTCBSA-N 1 0 316.376 4.782 20 5 DJBDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000390683026 333314976 /nfs/dbraw/zinc/31/49/76/333314976.db2.gz VBIZNRKHOGCWBU-UGSOOPFHSA-N 1 0 316.376 4.782 20 5 DJBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000319770429 333403592 /nfs/dbraw/zinc/40/35/92/333403592.db2.gz XEOIGLRCYHPCOU-UGSOOPFHSA-N 1 0 316.376 4.782 20 5 DJBDRO Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000541767996 333811514 /nfs/dbraw/zinc/81/15/14/333811514.db2.gz BADLDIXYCBHVRA-ZDUSSCGKSA-N 1 0 318.804 4.716 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000191370151 335683253 /nfs/dbraw/zinc/68/32/53/335683253.db2.gz XQRTYVLQXUJGNF-OLZOCXBDSA-N 1 0 310.353 4.753 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000324806800 336259123 /nfs/dbraw/zinc/25/91/23/336259123.db2.gz BTODHFZLWXXGJR-GJZGRUSLSA-N 1 0 324.424 4.885 20 5 DJBDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192756287 336260490 /nfs/dbraw/zinc/26/04/90/336260490.db2.gz DJIBSZJAHXBMOK-STQMWFEESA-N 1 0 316.426 4.729 20 5 DJBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1Cl ZINC000582855965 337211167 /nfs/dbraw/zinc/21/11/67/337211167.db2.gz HHUBNMWLYNSTQA-ZBEGNZNMSA-N 1 0 316.788 4.586 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000321549385 337276159 /nfs/dbraw/zinc/27/61/59/337276159.db2.gz VWGSYQKOEQUOST-UONOGXRCSA-N 1 0 316.376 4.763 20 5 DJBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)cs1 ZINC000520787705 337391186 /nfs/dbraw/zinc/39/11/86/337391186.db2.gz YXVDQEOOCPERMU-INIZCTEOSA-N 1 0 316.426 4.774 20 5 DJBDRO C[C@@H]([NH2+]Cc1csc2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000536805786 337394646 /nfs/dbraw/zinc/39/46/46/337394646.db2.gz KKCCTDPHSMZYDQ-GFCCVEGCSA-N 1 0 312.394 4.660 20 5 DJBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1F ZINC000536807228 337394725 /nfs/dbraw/zinc/39/47/25/337394725.db2.gz RQOZZYHECDKSNL-ZIAGYGMSSA-N 1 0 316.376 4.763 20 5 DJBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000426292694 338024925 /nfs/dbraw/zinc/02/49/25/338024925.db2.gz OYWSIKYOLAGXKY-IFXJQAMLSA-N 1 0 310.397 4.631 20 5 DJBDRO CC1(C)C[C@@H]([NH2+]C2(c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433244876 338187769 /nfs/dbraw/zinc/18/77/69/338187769.db2.gz ZAGZGWWRJTUWIT-GOSISDBHSA-N 1 0 322.408 4.596 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000152772674 338211680 /nfs/dbraw/zinc/21/16/80/338211680.db2.gz MCRDJNBKYCRYFC-STQMWFEESA-N 1 0 310.353 4.753 20 5 DJBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000434689391 338223435 /nfs/dbraw/zinc/22/34/35/338223435.db2.gz VYRFGVXJMFLYME-WFASDCNBSA-N 1 0 302.399 4.554 20 5 DJBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447530386 338554484 /nfs/dbraw/zinc/55/44/84/338554484.db2.gz MNMJXHOHBIASAQ-WOJBJXKFSA-N 1 0 322.408 4.558 20 5 DJBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000194782993 338750535 /nfs/dbraw/zinc/75/05/35/338750535.db2.gz MXOLDDFDSRUFOP-AWEZNQCLSA-N 1 0 306.365 4.599 20 5 DJBDRO C[C@H]([NH2+][C@H]1CC[C@H](C)c2ccsc21)c1ccc([N+](=O)[O-])cc1 ZINC000453230640 338811343 /nfs/dbraw/zinc/81/13/43/338811343.db2.gz SGZQAMKNLUENSB-MKBNYLNASA-N 1 0 316.426 4.946 20 5 DJBDRO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000453251329 338814273 /nfs/dbraw/zinc/81/42/73/338814273.db2.gz ZJEFYLNABGOKST-RYUDHWBXSA-N 1 0 304.415 4.631 20 5 DJBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(c2ccccc2)C1 ZINC000466415905 339203423 /nfs/dbraw/zinc/20/34/23/339203423.db2.gz WQGMPECMNMEBBD-GDNBJRDFSA-N 1 0 322.408 4.534 20 5 DJBDRO Cc1[nH]c2ccc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc2c1C ZINC000467841689 339247401 /nfs/dbraw/zinc/24/74/01/339247401.db2.gz AWXWDJXWEZXXTA-CQSZACIVSA-N 1 0 323.396 4.544 20 5 DJBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(Cl)s1 ZINC000468641660 339267820 /nfs/dbraw/zinc/26/78/20/339267820.db2.gz LZDPTHSEZVXUAQ-XFFZJAGNSA-N 1 0 322.817 4.503 20 5 DJBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000470176645 339312986 /nfs/dbraw/zinc/31/29/86/339312986.db2.gz XRJGWFYNMRGVOG-JWAFFJSPSA-N 1 0 316.426 4.753 20 5 DJBDRO Cc1ccc2[nH]c(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])cc2c1C ZINC000472038213 339359891 /nfs/dbraw/zinc/35/98/91/339359891.db2.gz MNRCECMTUUJKHK-CQSZACIVSA-N 1 0 323.396 4.544 20 5 DJBDRO Cc1cc2[nH]c(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc2c(C)c1 ZINC000479547135 339540476 /nfs/dbraw/zinc/54/04/76/339540476.db2.gz BDLXUVWBXRNMOM-CQSZACIVSA-N 1 0 323.396 4.544 20 5 DJBDRO Cc1cc2[nH]c(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc2c(C)c1 ZINC000479547134 339540546 /nfs/dbraw/zinc/54/05/46/339540546.db2.gz BDLXUVWBXRNMOM-AWEZNQCLSA-N 1 0 323.396 4.544 20 5 DJBDRO CCC[C@H]([NH2+]Cc1ccc(F)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000480255342 339565623 /nfs/dbraw/zinc/56/56/23/339565623.db2.gz BPIHLTBYWOXPLU-SFHVURJKSA-N 1 0 316.376 4.673 20 5 DJBDRO Cc1[nH]c2ccc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cc2c1C ZINC000481412269 339603682 /nfs/dbraw/zinc/60/36/82/339603682.db2.gz GCWDLENYWDOWSO-CQSZACIVSA-N 1 0 323.396 4.544 20 5 DJBDRO CC[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000485692712 339709672 /nfs/dbraw/zinc/70/96/72/339709672.db2.gz HQZYRNLRHXGAFT-INIZCTEOSA-N 1 0 322.767 4.628 20 5 DJBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000492310544 339897299 /nfs/dbraw/zinc/89/72/99/339897299.db2.gz HCJQYOGLGMPFPI-UHFFFAOYSA-N 1 0 318.804 4.582 20 5 DJBDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000504900160 340155269 /nfs/dbraw/zinc/15/52/69/340155269.db2.gz SAQYCBRCIPNFSF-QWQRMKEZSA-N 1 0 310.397 4.802 20 5 DJBDRO CSc1ccccc1C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000511102233 340320745 /nfs/dbraw/zinc/32/07/45/340320745.db2.gz QVNRVLSEVSGPPB-CYBMUJFWSA-N 1 0 316.426 4.510 20 5 DJBDRO CCC(CC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000517525494 340471035 /nfs/dbraw/zinc/47/10/35/340471035.db2.gz QGBOYQVJAAZUOH-UHFFFAOYSA-N 1 0 304.415 4.602 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000219863465 340510688 /nfs/dbraw/zinc/51/06/88/340510688.db2.gz CWOAXNDBXRCANB-QWHCGFSZSA-N 1 0 318.804 4.968 20 5 DJBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000326443757 340714690 /nfs/dbraw/zinc/71/46/90/340714690.db2.gz MNCUVKUXFLEZRO-AWEZNQCLSA-N 1 0 324.380 4.809 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CCc2sc(Cl)cc21)c1cccc([N+](=O)[O-])c1 ZINC000123378054 340753246 /nfs/dbraw/zinc/75/32/46/340753246.db2.gz RTBBNFICGOYAPM-NOZJJQNGSA-N 1 0 322.817 4.648 20 5 DJBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537941191 340792062 /nfs/dbraw/zinc/79/20/62/340792062.db2.gz KRBGUPVJONHBIH-KDOFPFPSSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc(C)c1F ZINC000538198228 340812994 /nfs/dbraw/zinc/81/29/94/340812994.db2.gz OWYVAEMMKWSLKB-KBPBESRZSA-N 1 0 316.376 4.763 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC000539047919 340867201 /nfs/dbraw/zinc/86/72/01/340867201.db2.gz XCEAUUTVQKKOIG-OAHLLOKOSA-N 1 0 320.392 4.907 20 5 DJBDRO C[C@@H]([NH2+]C1CCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540168359 340919948 /nfs/dbraw/zinc/91/99/48/340919948.db2.gz HDDAMSKIGKHJHM-LLVKDONJSA-N 1 0 302.399 4.526 20 5 DJBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540179317 340920988 /nfs/dbraw/zinc/92/09/88/340920988.db2.gz QTVNWMVRIBHHTJ-KDOFPFPSSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540179570 340921059 /nfs/dbraw/zinc/92/10/59/340921059.db2.gz XLMKWJBCDVFVKB-LIRRHRJNSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000545518777 341128273 /nfs/dbraw/zinc/12/82/73/341128273.db2.gz WIZAMTYCVJCLAC-CYBMUJFWSA-N 1 0 318.804 4.716 20 5 DJBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000079723729 341264525 /nfs/dbraw/zinc/26/45/25/341264525.db2.gz XMDOEPDYJWKGCB-SJCJKPOMSA-N 1 0 302.349 4.536 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000079723962 341264569 /nfs/dbraw/zinc/26/45/69/341264569.db2.gz XWNOUPUPUHXJIZ-QWRGUYRKSA-N 1 0 322.767 4.799 20 5 DJBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c2ccccc21 ZINC000551063138 341330683 /nfs/dbraw/zinc/33/06/83/341330683.db2.gz KWVDTICFMWOFOF-ZDUSSCGKSA-N 1 0 324.355 4.738 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c2ccccc21 ZINC000551063071 341330735 /nfs/dbraw/zinc/33/07/35/341330735.db2.gz ITCSWOKMOPCMEN-CYBMUJFWSA-N 1 0 324.355 4.738 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000552905518 341408439 /nfs/dbraw/zinc/40/84/39/341408439.db2.gz HFTAUVAMFXROLV-QWQRMKEZSA-N 1 0 310.397 4.802 20 5 DJBDRO Cc1c(C[N@@H+]2CCCCC[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000078830407 185117202 /nfs/dbraw/zinc/11/72/02/185117202.db2.gz DEVIUJWGUDTUHD-QGZVFWFLSA-N 1 0 314.385 4.614 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000019995580 182175460 /nfs/dbraw/zinc/17/54/60/182175460.db2.gz QRMVPIIJCUGLII-VXGBXAGGSA-N 1 0 304.777 4.660 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC000539296195 331696251 /nfs/dbraw/zinc/69/62/51/331696251.db2.gz YRMPRQPIAAVSBQ-MNOVXSKESA-N 1 0 322.767 4.799 20 5 DJBDRO CC[C@H]([NH2+][C@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000090918490 331917762 /nfs/dbraw/zinc/91/77/62/331917762.db2.gz HSTAMSJLYNSWDV-HOTGVXAUSA-N 1 0 316.426 4.775 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000317211144 332700623 /nfs/dbraw/zinc/70/06/23/332700623.db2.gz GIZVWQQJTUTHQZ-QWRGUYRKSA-N 1 0 322.767 4.799 20 5 DJBDRO Cc1c(C[NH2+][C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000182635124 333043796 /nfs/dbraw/zinc/04/37/96/333043796.db2.gz ZZPDNGBUSGMOLN-ZDUSSCGKSA-N 1 0 310.353 4.500 20 5 DJBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000390483853 333284477 /nfs/dbraw/zinc/28/44/77/333284477.db2.gz MEPYYFZTZORCON-UGSOOPFHSA-N 1 0 316.376 4.782 20 5 DJBDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000390483849 333284506 /nfs/dbraw/zinc/28/45/06/333284506.db2.gz MEPYYFZTZORCON-FZKQIMNGSA-N 1 0 316.376 4.782 20 5 DJBDRO CCC[C@@H]([NH2+][C@H]1CCCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC000120788502 333307003 /nfs/dbraw/zinc/30/70/03/333307003.db2.gz DCOKRVOFEUHVIG-SJORKVTESA-N 1 0 314.385 4.696 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000531205110 333330710 /nfs/dbraw/zinc/33/07/10/333330710.db2.gz WRUIZTWMXOJKTK-SUMWQHHRSA-N 1 0 316.376 4.844 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186842570 333379629 /nfs/dbraw/zinc/37/96/29/333379629.db2.gz AXVMSVIXLWDSJS-PXAZEXFGSA-N 1 0 302.349 4.536 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000319840296 333412345 /nfs/dbraw/zinc/41/23/45/333412345.db2.gz OFXJWIGUJWZIAN-DNVCBOLYSA-N 1 0 312.413 4.951 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000049159191 334322939 /nfs/dbraw/zinc/32/29/39/334322939.db2.gz UVNXDXDXINMCTR-OLZOCXBDSA-N 1 0 304.415 4.685 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000049529263 334345298 /nfs/dbraw/zinc/34/52/98/334345298.db2.gz UJFHJSOWYVDRCK-TZMCWYRMSA-N 1 0 304.415 4.767 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000417356292 334707540 /nfs/dbraw/zinc/70/75/40/334707540.db2.gz PASRIKHKZBNJRX-KGLIPLIRSA-N 1 0 310.397 4.884 20 5 DJBDRO CCCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000518980249 335760314 /nfs/dbraw/zinc/76/03/14/335760314.db2.gz NPMUYAGARQTCDT-UHFFFAOYSA-N 1 0 302.374 4.523 20 5 DJBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000532469851 336249580 /nfs/dbraw/zinc/24/95/80/336249580.db2.gz NVEWRTGJDPHGLI-WBMJQRKESA-N 1 0 302.399 4.554 20 5 DJBDRO CSc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192756309 336260492 /nfs/dbraw/zinc/26/04/92/336260492.db2.gz DJIBSZJAHXBMOK-QWHCGFSZSA-N 1 0 316.426 4.729 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000192796374 336262265 /nfs/dbraw/zinc/26/22/65/336262265.db2.gz ZJRDIPLTXMBNQA-KUHUBIRLSA-N 1 0 310.397 4.705 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000193895313 337080015 /nfs/dbraw/zinc/08/00/15/337080015.db2.gz ZBRPMFIORQWJOU-SJKOYZFVSA-N 1 0 302.349 4.536 20 5 DJBDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000321075740 337194407 /nfs/dbraw/zinc/19/44/07/337194407.db2.gz QMTAISFRMFNCQB-JKSUJKDBSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000321075735 337194491 /nfs/dbraw/zinc/19/44/91/337194491.db2.gz QMTAISFRMFNCQB-CVEARBPZSA-N 1 0 312.413 4.932 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000321648332 337281534 /nfs/dbraw/zinc/28/15/34/337281534.db2.gz QIMRGDXMAVYFSG-AUUYWEPGSA-N 1 0 310.397 4.713 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000321946733 337306723 /nfs/dbraw/zinc/30/67/23/337306723.db2.gz GFSFVVGDKXWYQA-CQSZACIVSA-N 1 0 312.413 4.743 20 5 DJBDRO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000536911381 337847811 /nfs/dbraw/zinc/84/78/11/337847811.db2.gz VDOXPSDTLXNVSO-QWHCGFSZSA-N 1 0 318.442 4.939 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000121494954 337894209 /nfs/dbraw/zinc/89/42/09/337894209.db2.gz JCMHALXWYPBMSG-APPDUMDISA-N 1 0 320.339 4.675 20 5 DJBDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000315381510 337985857 /nfs/dbraw/zinc/98/58/57/337985857.db2.gz DLPMSQMQAHNZJF-STQMWFEESA-N 1 0 316.426 4.729 20 5 DJBDRO CCSc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000426333735 338027554 /nfs/dbraw/zinc/02/75/54/338027554.db2.gz JCHDERMUYAMESU-CYBMUJFWSA-N 1 0 316.426 4.558 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000436286325 338266138 /nfs/dbraw/zinc/26/61/38/338266138.db2.gz AUPHPYDISBMFNV-DJIMGWMZSA-N 1 0 310.397 4.500 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](CC(F)(F)F)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000437071804 338299287 /nfs/dbraw/zinc/29/92/87/338299287.db2.gz AOUNGXRXMKPFCJ-KGLIPLIRSA-N 1 0 318.339 4.613 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000437092441 338300478 /nfs/dbraw/zinc/30/04/78/338300478.db2.gz MCMNNGTTXSAMRG-WCQYABFASA-N 1 0 318.339 4.531 20 5 DJBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H](C)c3ccsc32)cccc1[N+](=O)[O-] ZINC000453209495 338808261 /nfs/dbraw/zinc/80/82/61/338808261.db2.gz LLNMPEUCXMGPHZ-IAQYHMDHSA-N 1 0 316.426 4.693 20 5 DJBDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000195746927 338914862 /nfs/dbraw/zinc/91/48/62/338914862.db2.gz DOHHHLYQKNZTIN-GFCCVEGCSA-N 1 0 318.804 4.661 20 5 DJBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000467405885 339236774 /nfs/dbraw/zinc/23/67/74/339236774.db2.gz IGNDJVAXKMIYMT-DJIMGWMZSA-N 1 0 310.397 4.500 20 5 DJBDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000467863679 339248016 /nfs/dbraw/zinc/24/80/16/339248016.db2.gz MAIQEBKHUUHRIY-KXBFYZLASA-N 1 0 312.413 4.951 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000480233069 339564284 /nfs/dbraw/zinc/56/42/84/339564284.db2.gz PIPJQZGRWMHXHX-SJCJKPOMSA-N 1 0 316.426 4.767 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000487947922 339766620 /nfs/dbraw/zinc/76/66/20/339766620.db2.gz NJDZENKIXOEGSK-OLZOCXBDSA-N 1 0 318.804 4.968 20 5 DJBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000492849870 339910569 /nfs/dbraw/zinc/91/05/69/339910569.db2.gz DTCJHRQQDRXFFI-CVEARBPZSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)oc1C ZINC000502467978 340104950 /nfs/dbraw/zinc/10/49/50/340104950.db2.gz ZSSGLBRALSPPTC-QWHCGFSZSA-N 1 0 302.374 4.525 20 5 DJBDRO Cc1c2ccccc2oc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173418465 340364699 /nfs/dbraw/zinc/36/46/99/340364699.db2.gz MXZSMPHNEPLIGP-ZDUSSCGKSA-N 1 0 310.353 4.500 20 5 DJBDRO CC[C@@H]([NH2+]Cc1cc(Cl)cs1)c1cccc([N+](=O)[O-])c1 ZINC000193139508 340572847 /nfs/dbraw/zinc/57/28/47/340572847.db2.gz HOTNBPLCXCDBLR-CQSZACIVSA-N 1 0 310.806 4.551 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000036992056 340729492 /nfs/dbraw/zinc/72/94/92/340729492.db2.gz URWOYAFYKXHHCG-ZJUUUORDSA-N 1 0 310.806 4.722 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000037177048 340769383 /nfs/dbraw/zinc/76/93/83/340769383.db2.gz WSBPRKZWXZAGQP-NEPJUHHUSA-N 1 0 304.777 4.660 20 5 DJBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537941193 340792083 /nfs/dbraw/zinc/79/20/83/340792083.db2.gz KRBGUPVJONHBIH-RDTXWAMCSA-N 1 0 310.397 4.550 20 5 DJBDRO CCC[C@H]([NH2+]C1CCC(F)(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000540150183 340917496 /nfs/dbraw/zinc/91/74/96/340917496.db2.gz CFCYDRIIBICPON-HNNXBMFYSA-N 1 0 312.360 4.604 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000544897199 341098235 /nfs/dbraw/zinc/09/82/35/341098235.db2.gz BKKYKTKXBLWCBV-CVEARBPZSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000544898934 341098455 /nfs/dbraw/zinc/09/84/55/341098455.db2.gz YLOKIVCECNERBS-HOTGVXAUSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1c([C@@H](C)[NH2+]C2CC(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000545274652 341118538 /nfs/dbraw/zinc/11/85/38/341118538.db2.gz AUPHPYDISBMFNV-ODIFPOPNSA-N 1 0 310.397 4.500 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCc3sccc32)cccc1[N+](=O)[O-] ZINC000134966795 341227482 /nfs/dbraw/zinc/22/74/82/341227482.db2.gz VNGPUUBHLOPDJQ-DOMZBBRYSA-N 1 0 316.426 4.693 20 5 DJBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000089512096 341405220 /nfs/dbraw/zinc/40/52/20/341405220.db2.gz FWODSHIVAYPWMB-LLVKDONJSA-N 1 0 310.806 4.551 20 5 DJBDRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000556230907 341498357 /nfs/dbraw/zinc/49/83/57/341498357.db2.gz QTTJMPJJOGGTAU-RYUDHWBXSA-N 1 0 322.405 4.722 20 5 DJBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000155168709 341603042 /nfs/dbraw/zinc/60/30/42/341603042.db2.gz HNGPUKMCAUTNEM-NSHDSACASA-N 1 0 322.767 4.547 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000019995576 182175665 /nfs/dbraw/zinc/17/56/65/182175665.db2.gz QRMVPIIJCUGLII-RYUDHWBXSA-N 1 0 304.777 4.660 20 5 DJBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cc1C ZINC000518826219 335020941 /nfs/dbraw/zinc/02/09/41/335020941.db2.gz MRQMDYNVCYCCGR-GOSISDBHSA-N 1 0 310.397 4.549 20 5 DJBDRO C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000173361391 332828053 /nfs/dbraw/zinc/82/80/53/332828053.db2.gz LNDVCBZJMVVSFO-DIFFPNOSSA-N 1 0 316.788 4.586 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090068688 331978059 /nfs/dbraw/zinc/97/80/59/331978059.db2.gz XAORRNDQSPWKMN-PXAZEXFGSA-N 1 0 302.349 4.536 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1Cl ZINC000517959831 331980484 /nfs/dbraw/zinc/98/04/84/331980484.db2.gz HHUBNMWLYNSTQA-BDJLRTHQSA-N 1 0 316.788 4.586 20 5 DJBDRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000409839338 332059310 /nfs/dbraw/zinc/05/93/10/332059310.db2.gz ZUYKPPBBILAJIE-QWHCGFSZSA-N 1 0 316.426 4.729 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000180247046 333027010 /nfs/dbraw/zinc/02/70/10/333027010.db2.gz YLENORYDLDPYGP-SJKOYZFVSA-N 1 0 302.349 4.536 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000314044032 333084332 /nfs/dbraw/zinc/08/43/32/333084332.db2.gz FMKVGZXDKNKERW-QGZVFWFLSA-N 1 0 318.804 4.879 20 5 DJBDRO C[C@H](CC1CC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000497320631 333235231 /nfs/dbraw/zinc/23/52/31/333235231.db2.gz WZCXYPBUWGVSEO-GFCCVEGCSA-N 1 0 316.426 4.602 20 5 DJBDRO CC(C)[C@H](c1ccccc1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000497448129 333252053 /nfs/dbraw/zinc/25/20/53/333252053.db2.gz XWYZXZWGSHHLKR-GOSISDBHSA-N 1 0 316.376 4.563 20 5 DJBDRO Cc1ccc([C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000390962641 333411636 /nfs/dbraw/zinc/41/16/36/333411636.db2.gz LIAOCCMNOGMDQS-LIRRHRJNSA-N 1 0 310.397 4.705 20 5 DJBDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)CC(F)(F)F ZINC000414255567 333928198 /nfs/dbraw/zinc/92/81/98/333928198.db2.gz FRMAZHIPBSRLAM-NWDGAFQWSA-N 1 0 318.339 4.532 20 5 DJBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000442986910 338440921 /nfs/dbraw/zinc/44/09/21/338440921.db2.gz BQLZDDFOPRYHKB-DEBLGDTFSA-N 1 0 322.364 4.705 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000049159401 334322893 /nfs/dbraw/zinc/32/28/93/334322893.db2.gz XUSDCNJCJHBXAD-SWLSCSKDSA-N 1 0 304.415 4.767 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccc(C)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000443983320 338465405 /nfs/dbraw/zinc/46/54/05/338465405.db2.gz CMCJNGDXEHMHOD-KRWDZBQOSA-N 1 0 318.804 4.798 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000324806802 336259069 /nfs/dbraw/zinc/25/90/69/336259069.db2.gz BTODHFZLWXXGJR-HUUCEWRRSA-N 1 0 324.424 4.885 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000537093918 337889373 /nfs/dbraw/zinc/88/93/73/337889373.db2.gz GWNDNFQYHWGECW-MNOVXSKESA-N 1 0 322.767 4.799 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433149355 338183098 /nfs/dbraw/zinc/18/30/98/338183098.db2.gz ISLOWJWATIUGKT-FZKQIMNGSA-N 1 0 310.397 4.668 20 5 DJBDRO CC[C@H]([NH2+][C@H](CC(F)(F)F)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000437071805 338299201 /nfs/dbraw/zinc/29/92/01/338299201.db2.gz AOUNGXRXMKPFCJ-UONOGXRCSA-N 1 0 318.339 4.613 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000437098964 338300960 /nfs/dbraw/zinc/30/09/60/338300960.db2.gz YAZXBMRTBWPASX-DGCLKSJQSA-N 1 0 318.339 4.531 20 5 DJBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000440914699 338399914 /nfs/dbraw/zinc/39/99/14/338399914.db2.gz NRGPIHWTBDIMFV-UHFFFAOYSA-N 1 0 310.397 4.544 20 5 DJBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3ccccc31)CCC2 ZINC000447517810 338553604 /nfs/dbraw/zinc/55/36/04/338553604.db2.gz UMFONYNIDNPXON-WOJBJXKFSA-N 1 0 322.408 4.639 20 5 DJBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)C1CC1)CCC2 ZINC000447533164 338554696 /nfs/dbraw/zinc/55/46/96/338554696.db2.gz ZJDBCXZGGXAZEQ-WOJBJXKFSA-N 1 0 322.408 4.713 20 5 DJBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000463163610 339107614 /nfs/dbraw/zinc/10/76/14/339107614.db2.gz MSWMHUFCRLQSCB-MRXNPFEDSA-N 1 0 322.767 4.628 20 5 DJBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(Cl)s1 ZINC000468641661 339267845 /nfs/dbraw/zinc/26/78/45/339267845.db2.gz LZDPTHSEZVXUAQ-YRNVUSSQSA-N 1 0 322.817 4.503 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000478499521 339516706 /nfs/dbraw/zinc/51/67/06/339516706.db2.gz KROOKXDUHFOGEO-OAHLLOKOSA-N 1 0 304.415 4.596 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000480904608 339590390 /nfs/dbraw/zinc/59/03/90/339590390.db2.gz XYPWXYYSPWWATR-CQSZACIVSA-N 1 0 322.364 4.706 20 5 DJBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000490247904 339829410 /nfs/dbraw/zinc/82/94/10/339829410.db2.gz OYWSIKYOLAGXKY-LIRRHRJNSA-N 1 0 310.397 4.631 20 5 DJBDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000237752429 340673720 /nfs/dbraw/zinc/67/37/20/340673720.db2.gz ZLZPNTTWSJARNP-GOSISDBHSA-N 1 0 312.413 4.780 20 5 DJBDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000315640779 340676056 /nfs/dbraw/zinc/67/60/56/340676056.db2.gz ZCITXCLBZQUDJC-QWHCGFSZSA-N 1 0 316.426 4.729 20 5 DJBDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000538227455 340814146 /nfs/dbraw/zinc/81/41/46/340814146.db2.gz VHFLXNMXKGLJBU-JKSUJKDBSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539042162 340866453 /nfs/dbraw/zinc/86/64/53/340866453.db2.gz VWDQSIKVVRPIQH-KUHUBIRLSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000545235845 341116344 /nfs/dbraw/zinc/11/63/44/341116344.db2.gz PYWXCECEIUBMRL-BLLLJJGKSA-N 1 0 316.426 4.693 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000545235848 341116360 /nfs/dbraw/zinc/11/63/60/341116360.db2.gz PYWXCECEIUBMRL-WBMJQRKESA-N 1 0 316.426 4.693 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000079723965 341264604 /nfs/dbraw/zinc/26/46/04/341264604.db2.gz XWNOUPUPUHXJIZ-MNOVXSKESA-N 1 0 322.767 4.799 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000550620375 341319584 /nfs/dbraw/zinc/31/95/84/341319584.db2.gz ZWQWLNIWSXNHNG-KBPBESRZSA-N 1 0 310.397 4.884 20 5 DJBDRO C[C@@H]([NH2+]Cc1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000550857312 341324661 /nfs/dbraw/zinc/32/46/61/341324661.db2.gz RJTJBABFGBJOMD-GFCCVEGCSA-N 1 0 312.394 4.660 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1cccc([N+](=O)[O-])c1 ZINC000246404134 341347589 /nfs/dbraw/zinc/34/75/89/341347589.db2.gz GFHXVOJHUWZQIO-JLZZUVOBSA-N 1 0 314.385 4.552 20 5 DJBDRO Cc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(C)c1F ZINC000553010405 341412963 /nfs/dbraw/zinc/41/29/63/341412963.db2.gz HWHDMVLYAKZDLE-CQSZACIVSA-N 1 0 316.376 4.510 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000153560402 341574836 /nfs/dbraw/zinc/57/48/36/341574836.db2.gz VEOCAUKIEWFMQJ-RYUDHWBXSA-N 1 0 320.339 4.593 20 5 DJBDRO CC[C@H]([NH2+]Cc1cccc(C(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000275785216 535919152 /nfs/dbraw/zinc/91/91/52/535919152.db2.gz WODHSBVCSMIYIG-INIZCTEOSA-N 1 0 320.339 4.773 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000019995584 182175645 /nfs/dbraw/zinc/17/56/45/182175645.db2.gz QRMVPIIJCUGLII-NWDGAFQWSA-N 1 0 304.777 4.660 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000020015692 182178409 /nfs/dbraw/zinc/17/84/09/182178409.db2.gz SBSVRGNNKJYZMS-NWDGAFQWSA-N 1 0 304.777 4.660 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000297288819 132008089 /nfs/dbraw/zinc/00/80/89/132008089.db2.gz LSLVADASFIQLTK-UWVGGRQHSA-N 1 0 310.806 4.722 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000122554947 132166057 /nfs/dbraw/zinc/16/60/57/132166057.db2.gz PDCBGELPYMASLL-LLVKDONJSA-N 1 0 322.767 4.547 20 5 DJBDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090068419 331978009 /nfs/dbraw/zinc/97/80/09/331978009.db2.gz ZAPGVFWBGCOAOH-GTNSWQLSSA-N 1 0 320.339 4.675 20 5 DJBDRO CCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000518273861 332004709 /nfs/dbraw/zinc/00/47/09/332004709.db2.gz LHHYUGQGVDCDJJ-UHFFFAOYSA-N 1 0 304.415 4.602 20 5 DJBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000180735280 333028358 /nfs/dbraw/zinc/02/83/58/333028358.db2.gz ZTUPMCLMUKJJSH-NSHDSACASA-N 1 0 322.767 4.547 20 5 DJBDRO C[C@H]([NH2+]C1CCC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000540168360 333132331 /nfs/dbraw/zinc/13/23/31/333132331.db2.gz HDDAMSKIGKHJHM-NSHDSACASA-N 1 0 302.399 4.526 20 5 DJBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000390483847 333284504 /nfs/dbraw/zinc/28/45/04/333284504.db2.gz MEPYYFZTZORCON-ACJLOTCBSA-N 1 0 316.376 4.782 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000020526138 333319763 /nfs/dbraw/zinc/31/97/63/333319763.db2.gz KSKWSUFMOWZJFS-NEPJUHHUSA-N 1 0 304.777 4.660 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000020526161 333319935 /nfs/dbraw/zinc/31/99/35/333319935.db2.gz BKHMTUINNGNSGO-RYUDHWBXSA-N 1 0 304.777 4.660 20 5 DJBDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1C ZINC000531711319 333549287 /nfs/dbraw/zinc/54/92/87/333549287.db2.gz OROCDDDYXIRKPD-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000160789594 333660818 /nfs/dbraw/zinc/66/08/18/333660818.db2.gz RWDXQCCZRYWLAA-GTNSWQLSSA-N 1 0 320.339 4.675 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000531961782 334312618 /nfs/dbraw/zinc/31/26/18/334312618.db2.gz ITUZSURAXGYIBE-NSHDSACASA-N 1 0 322.767 4.547 20 5 DJBDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000531960962 334317140 /nfs/dbraw/zinc/31/71/40/334317140.db2.gz JYSBCQMFMQLZFB-KUHUBIRLSA-N 1 0 310.397 4.787 20 5 DJBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000049963659 334359622 /nfs/dbraw/zinc/35/96/22/334359622.db2.gz CGUOPVIQOKEWSS-SNVBAGLBSA-N 1 0 324.833 4.777 20 5 DJBDRO Cc1cc(Cl)cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000563901169 336036248 /nfs/dbraw/zinc/03/62/48/336036248.db2.gz IVELZQPKKWVIDA-UHFFFAOYSA-N 1 0 318.804 4.582 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccc2occc2c1)c1cccc([N+](=O)[O-])c1 ZINC000352758500 336235241 /nfs/dbraw/zinc/23/52/41/336235241.db2.gz YYBLFYCPKLMQAE-KRWDZBQOSA-N 1 0 310.353 4.582 20 5 DJBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000532469850 336249538 /nfs/dbraw/zinc/24/95/38/336249538.db2.gz NVEWRTGJDPHGLI-LRDDRELGSA-N 1 0 302.399 4.554 20 5 DJBDRO CC[C@@H]([NH2+]Cc1ccc2[nH]c(C)cc2c1)c1cccc([N+](=O)[O-])c1 ZINC000353818477 336442342 /nfs/dbraw/zinc/44/23/42/336442342.db2.gz HTMODQHLGDFQAT-GOSISDBHSA-N 1 0 323.396 4.625 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1Cl ZINC000582855964 337211157 /nfs/dbraw/zinc/21/11/57/337211157.db2.gz HHUBNMWLYNSTQA-MEDUHNTESA-N 1 0 316.788 4.586 20 5 DJBDRO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000321648335 337281461 /nfs/dbraw/zinc/28/14/61/337281461.db2.gz QIMRGDXMAVYFSG-LIRRHRJNSA-N 1 0 310.397 4.713 20 5 DJBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000584420238 337323548 /nfs/dbraw/zinc/32/35/48/337323548.db2.gz CUQKMOBMGQNZAZ-BZNIZROVSA-N 1 0 316.788 4.586 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000322132114 337562482 /nfs/dbraw/zinc/56/24/82/337562482.db2.gz YVOZDBSXTWHVQA-PJIJBLCYSA-N 1 0 310.397 4.884 20 5 DJBDRO C[C@H]([NH2+][C@H](CC(F)F)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000421877897 337658174 /nfs/dbraw/zinc/65/81/74/337658174.db2.gz MPNFRWHHWOKZSX-BLLLJJGKSA-N 1 0 320.339 4.642 20 5 DJBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1cccs1 ZINC000432978042 338175141 /nfs/dbraw/zinc/17/51/41/338175141.db2.gz QGAYVQXWCDQSCT-DOMZBBRYSA-N 1 0 302.399 4.554 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000463163608 339107670 /nfs/dbraw/zinc/10/76/70/339107670.db2.gz MSWMHUFCRLQSCB-INIZCTEOSA-N 1 0 322.767 4.628 20 5 DJBDRO Cc1cc(Cl)ccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000463739998 339125188 /nfs/dbraw/zinc/12/51/88/339125188.db2.gz RFSZTAYHZBWVJX-UHFFFAOYSA-N 1 0 318.804 4.582 20 5 DJBDRO Cc1[nH]c2ccc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc2c1C ZINC000467841688 339247376 /nfs/dbraw/zinc/24/73/76/339247376.db2.gz AWXWDJXWEZXXTA-AWEZNQCLSA-N 1 0 323.396 4.544 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000479869086 339551647 /nfs/dbraw/zinc/55/16/47/339551647.db2.gz VTCCCIAQTZXRRX-OLZOCXBDSA-N 1 0 318.804 4.968 20 5 DJBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000480452738 339573472 /nfs/dbraw/zinc/57/34/72/339573472.db2.gz BFAPEYZEQVUFCV-CQSZACIVSA-N 1 0 324.380 4.809 20 5 DJBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000489104844 339801905 /nfs/dbraw/zinc/80/19/05/339801905.db2.gz XYCRHOHXBDGPFQ-IBGZPJMESA-N 1 0 312.413 4.780 20 5 DJBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000500492894 340060532 /nfs/dbraw/zinc/06/05/32/340060532.db2.gz CHDATIIZFSUEIC-GOSISDBHSA-N 1 0 316.376 4.529 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000537918975 340775545 /nfs/dbraw/zinc/77/55/45/340775545.db2.gz YVNYCEMGYZFIOB-NEPJUHHUSA-N 1 0 316.426 4.557 20 5 DJBDRO Cc1cc2cc([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3)oc2cc1C ZINC000537991892 340806166 /nfs/dbraw/zinc/80/61/66/340806166.db2.gz QHTZARDGYQXDJP-AWEZNQCLSA-N 1 0 324.380 4.809 20 5 DJBDRO Cc1ccc2ccccc2c1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000538228088 340814122 /nfs/dbraw/zinc/81/41/22/340814122.db2.gz ODTBUMYVYUZXAB-OAHLLOKOSA-N 1 0 320.392 4.907 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000539089777 340872473 /nfs/dbraw/zinc/87/24/73/340872473.db2.gz HYQXMZJDURPTEN-GOSISDBHSA-N 1 0 324.380 4.972 20 5 DJBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000539093224 340872736 /nfs/dbraw/zinc/87/27/36/340872736.db2.gz JVJIPAAMBYNZJB-NSHDSACASA-N 1 0 324.833 4.511 20 5 DJBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2cccs2)C2CC2)c(Cl)c1 ZINC000544349642 341077502 /nfs/dbraw/zinc/07/75/02/341077502.db2.gz IOORNSKQLKOWAJ-HNNXBMFYSA-N 1 0 322.817 4.551 20 5 DJBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000544606932 341088498 /nfs/dbraw/zinc/08/84/98/341088498.db2.gz NGRVAQDRPLMHFA-CYBMUJFWSA-N 1 0 318.804 4.716 20 5 DJBDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000546225947 341157829 /nfs/dbraw/zinc/15/78/29/341157829.db2.gz TVFVLDUFSBSQHZ-ZDUSSCGKSA-N 1 0 318.804 4.716 20 5 DJBDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000546879112 341185157 /nfs/dbraw/zinc/18/51/57/341185157.db2.gz TYCDTXLUTHWIEI-GFCCVEGCSA-N 1 0 318.339 4.539 20 5 DJBDRO C[C@H]([NH2+]Cc1cc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000550857313 341324732 /nfs/dbraw/zinc/32/47/32/341324732.db2.gz RJTJBABFGBJOMD-LBPRGKRZSA-N 1 0 312.394 4.660 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000153560852 341574765 /nfs/dbraw/zinc/57/47/65/341574765.db2.gz JZKOEJXREWULGI-RYUDHWBXSA-N 1 0 320.339 4.593 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000572706804 341701210 /nfs/dbraw/zinc/70/12/10/341701210.db2.gz OLQMNDFSYRCVSJ-ZDUSSCGKSA-N 1 0 310.353 4.500 20 5 DJBDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000563786326 335012506 /nfs/dbraw/zinc/01/25/06/335012506.db2.gz MIVSHYQVWZVNNP-NSHDSACASA-N 1 0 322.455 4.537 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000020015689 182178581 /nfs/dbraw/zinc/17/85/81/182178581.db2.gz SBSVRGNNKJYZMS-VXGBXAGGSA-N 1 0 304.777 4.660 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000122555192 132166075 /nfs/dbraw/zinc/16/60/75/132166075.db2.gz PDCBGELPYMASLL-NSHDSACASA-N 1 0 322.767 4.547 20 5 DJBDRO C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000525868717 335066891 /nfs/dbraw/zinc/06/68/91/335066891.db2.gz YLIIKBBZBRIBAQ-QGTPRVQTSA-N 1 0 310.397 4.582 20 5 DJBDRO Cc1cc(Cl)cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000559282067 332014673 /nfs/dbraw/zinc/01/46/73/332014673.db2.gz BSOVSJGDOLZRHL-UHFFFAOYSA-N 1 0 318.804 4.582 20 5 DJBDRO CC(C)(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000047168406 332300508 /nfs/dbraw/zinc/30/05/08/332300508.db2.gz GJFNJYTUAZALKT-OAHLLOKOSA-N 1 0 322.405 4.672 20 5 DJBDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000560910573 332394117 /nfs/dbraw/zinc/39/41/17/332394117.db2.gz UQMDSBAOHZHZCH-BIENJYKASA-N 1 0 310.397 4.569 20 5 DJBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000378920257 333063568 /nfs/dbraw/zinc/06/35/68/333063568.db2.gz YBEKBNSJFSNCGS-QGZVFWFLSA-N 1 0 318.804 4.735 20 5 DJBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000390483851 333284502 /nfs/dbraw/zinc/28/45/02/333284502.db2.gz MEPYYFZTZORCON-SCLBCKFNSA-N 1 0 316.376 4.782 20 5 DJBDRO CCC(CC)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000319811207 333409442 /nfs/dbraw/zinc/40/94/42/333409442.db2.gz PGAIMGFFCLTSPH-IBGZPJMESA-N 1 0 312.413 4.862 20 5 DJBDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000531711647 333549193 /nfs/dbraw/zinc/54/91/93/333549193.db2.gz LBONXRCWBDHRQT-KXBFYZLASA-N 1 0 312.413 4.951 20 5 DJBDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000531960964 334317150 /nfs/dbraw/zinc/31/71/50/334317150.db2.gz JYSBCQMFMQLZFB-LIRRHRJNSA-N 1 0 310.397 4.787 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000417357809 334707549 /nfs/dbraw/zinc/70/75/49/334707549.db2.gz SDNANARXZJGGLZ-KBPBESRZSA-N 1 0 310.397 4.884 20 5 DJBDRO CC[C@@H]([NH2+]Cc1ccc(C)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000443983322 338465325 /nfs/dbraw/zinc/46/53/25/338465325.db2.gz CMCJNGDXEHMHOD-QGZVFWFLSA-N 1 0 318.804 4.798 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1csc(Cl)c1 ZINC000191213856 335639773 /nfs/dbraw/zinc/63/97/73/335639773.db2.gz XFBQFSRALZAHSX-NXEZZACHSA-N 1 0 310.806 4.722 20 5 DJBDRO CC(C)(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000042800656 336242743 /nfs/dbraw/zinc/24/27/43/336242743.db2.gz NWHCWVDWWGHFHM-QGZVFWFLSA-N 1 0 316.376 4.611 20 5 DJBDRO CC(C)(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000042800667 336242776 /nfs/dbraw/zinc/24/27/76/336242776.db2.gz STZFNOPVZGWAIK-KRWDZBQOSA-N 1 0 316.376 4.611 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000193023669 336287125 /nfs/dbraw/zinc/28/71/25/336287125.db2.gz XAORRNDQSPWKMN-SJKOYZFVSA-N 1 0 302.349 4.536 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000321698765 337284308 /nfs/dbraw/zinc/28/43/08/337284308.db2.gz ZQXMBMWHRFSAAE-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000572191530 337596117 /nfs/dbraw/zinc/59/61/17/337596117.db2.gz GLUBTNIIAZQHQW-VXGBXAGGSA-N 1 0 318.339 4.675 20 5 DJBDRO C[C@@H]([NH2+][C@@H](CC(F)F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000421875034 337657776 /nfs/dbraw/zinc/65/77/76/337657776.db2.gz JMOWZMCHBXNYLX-WBMJQRKESA-N 1 0 320.339 4.642 20 5 DJBDRO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000536911355 337847776 /nfs/dbraw/zinc/84/77/76/337847776.db2.gz VDOXPSDTLXNVSO-CHWSQXEVSA-N 1 0 318.442 4.939 20 5 DJBDRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000315330305 337984984 /nfs/dbraw/zinc/98/49/84/337984984.db2.gz VSNAZPNLNLHCHZ-GXTWGEPZSA-N 1 0 318.442 4.555 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000152773008 338211666 /nfs/dbraw/zinc/21/16/66/338211666.db2.gz MCRDJNBKYCRYFC-CHWSQXEVSA-N 1 0 310.353 4.753 20 5 DJBDRO CC[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000195614325 338910232 /nfs/dbraw/zinc/91/02/32/338910232.db2.gz WNTYHWOGRVJMSH-RTBURBONSA-N 1 0 310.397 4.787 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+]C2CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467448695 339239243 /nfs/dbraw/zinc/23/92/43/339239243.db2.gz MPLQOIFUPCNGOW-RWBZWWBESA-N 1 0 310.397 4.500 20 5 DJBDRO Cc1ccccc1[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000467863676 339248112 /nfs/dbraw/zinc/24/81/12/339248112.db2.gz MAIQEBKHUUHRIY-BEFAXECRSA-N 1 0 312.413 4.951 20 5 DJBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000470176653 339313046 /nfs/dbraw/zinc/31/30/46/339313046.db2.gz XRJGWFYNMRGVOG-ZVHGMHCTSA-N 1 0 316.426 4.753 20 5 DJBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000472292793 339369112 /nfs/dbraw/zinc/36/91/12/339369112.db2.gz MANRCKFHTPFJQZ-CYBMUJFWSA-N 1 0 310.353 4.534 20 5 DJBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000482658334 339639198 /nfs/dbraw/zinc/63/91/98/339639198.db2.gz PUAVSTCDXIFXLZ-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000489965731 339822545 /nfs/dbraw/zinc/82/25/45/339822545.db2.gz NJDZENKIXOEGSK-QWHCGFSZSA-N 1 0 318.804 4.968 20 5 DJBDRO C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccccc1[N+](=O)[O-] ZINC000506217083 340188950 /nfs/dbraw/zinc/18/89/50/340188950.db2.gz IBYYOJTVOOMVGV-BZNIZROVSA-N 1 0 316.788 4.586 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccccc1[N+](=O)[O-] ZINC000506217084 340188973 /nfs/dbraw/zinc/18/89/73/340188973.db2.gz IBYYOJTVOOMVGV-MEDUHNTESA-N 1 0 316.788 4.586 20 5 DJBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000506276688 340190745 /nfs/dbraw/zinc/19/07/45/340190745.db2.gz DHLCRCAYPWTMCJ-ZDUSSCGKSA-N 1 0 314.385 4.523 20 5 DJBDRO Cc1ccc(C[NH2+]C2(c3ccccc3)CCCCC2)cc1[N+](=O)[O-] ZINC000506313439 340191953 /nfs/dbraw/zinc/19/19/53/340191953.db2.gz FGZHHMAQOGGZQD-UHFFFAOYSA-N 1 0 324.424 4.852 20 5 DJBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000506711586 340200020 /nfs/dbraw/zinc/20/00/20/340200020.db2.gz RPIWHEIKYLCJSR-CYBMUJFWSA-N 1 0 310.353 4.534 20 5 DJBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000507167398 340210478 /nfs/dbraw/zinc/21/04/78/340210478.db2.gz LCXVLIHBVUTLQH-GIZXNFQBSA-N 1 0 314.410 4.507 20 5 DJBDRO Cc1oc2ccccc2c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000185047195 340497542 /nfs/dbraw/zinc/49/75/42/340497542.db2.gz WVIIALUZEQKQBB-GFCCVEGCSA-N 1 0 310.353 4.500 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000219863434 340510769 /nfs/dbraw/zinc/51/07/69/340510769.db2.gz CWOAXNDBXRCANB-CHWSQXEVSA-N 1 0 318.804 4.968 20 5 DJBDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000237751603 340673624 /nfs/dbraw/zinc/67/36/24/340673624.db2.gz ZLZPNTTWSJARNP-SFHVURJKSA-N 1 0 312.413 4.780 20 5 DJBDRO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000315640780 340676133 /nfs/dbraw/zinc/67/61/33/340676133.db2.gz ZCITXCLBZQUDJC-STQMWFEESA-N 1 0 316.426 4.729 20 5 DJBDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000539289784 340879532 /nfs/dbraw/zinc/87/95/32/340879532.db2.gz QIGWVTYXMLMQGS-CYBMUJFWSA-N 1 0 318.804 4.716 20 5 DJBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540179321 340921061 /nfs/dbraw/zinc/92/10/61/340921061.db2.gz QTVNWMVRIBHHTJ-RDTXWAMCSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1c([C@H](C)[NH2+]C2CC(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000545274653 341118577 /nfs/dbraw/zinc/11/85/77/341118577.db2.gz AUPHPYDISBMFNV-OOHWJJMZSA-N 1 0 310.397 4.500 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000545980088 341149451 /nfs/dbraw/zinc/14/94/51/341149451.db2.gz CTTJUTHDWPQSMU-OOHWJJMZSA-N 1 0 310.397 4.500 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000133776897 341186676 /nfs/dbraw/zinc/18/66/76/341186676.db2.gz VPAFMJWWHJZKME-CYBMUJFWSA-N 1 0 310.353 4.500 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000551103587 341331841 /nfs/dbraw/zinc/33/18/41/341331841.db2.gz LYWYVEOVJALHTL-KBPBESRZSA-N 1 0 310.397 4.884 20 5 DJBDRO O=[N+]([O-])c1ccccc1C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000552116205 341370717 /nfs/dbraw/zinc/37/07/17/341370717.db2.gz HHNZKDWQSFLXTK-FQEVSTJZSA-N 1 0 322.408 4.637 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(Cl)c1 ZINC000573338362 341725443 /nfs/dbraw/zinc/72/54/43/341725443.db2.gz LFBDJLWCDKWAHH-BDJLRTHQSA-N 1 0 316.788 4.586 20 5 DJBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000492849872 518186896 /nfs/dbraw/zinc/18/68/96/518186896.db2.gz DTCJHRQQDRXFFI-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000569559556 332137981 /nfs/dbraw/zinc/13/79/81/332137981.db2.gz SDIDRQLAALRRSP-WDEREUQCSA-N 1 0 322.767 4.799 20 5 DJBDRO Cc1ccc2cc([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3)oc2c1 ZINC000426057334 335094036 /nfs/dbraw/zinc/09/40/36/335094036.db2.gz ICLHWPICMHVFGY-CYBMUJFWSA-N 1 0 310.353 4.500 20 5 DJBDRO Cc1ccc2cc([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3)oc2c1 ZINC000426057335 335094144 /nfs/dbraw/zinc/09/41/44/335094144.db2.gz ICLHWPICMHVFGY-ZDUSSCGKSA-N 1 0 310.353 4.500 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000426060211 335094878 /nfs/dbraw/zinc/09/48/78/335094878.db2.gz QXLYPGVRXULUFS-ZYHUDNBSSA-N 1 0 318.339 4.675 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000426060208 335094881 /nfs/dbraw/zinc/09/48/81/335094881.db2.gz QXLYPGVRXULUFS-JQWIXIFHSA-N 1 0 318.339 4.675 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000426060203 335094922 /nfs/dbraw/zinc/09/49/22/335094922.db2.gz QXLYPGVRXULUFS-CMPLNLGQSA-N 1 0 318.339 4.675 20 5 DJBDRO CCC[C@H]([NH2+]Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000320707321 335130322 /nfs/dbraw/zinc/13/03/22/335130322.db2.gz ZIEBVTSARMFICJ-KRWDZBQOSA-N 1 0 320.339 4.504 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000020545599 333321887 /nfs/dbraw/zinc/32/18/87/333321887.db2.gz KRNGZNCKUMEFER-VXGBXAGGSA-N 1 0 304.777 4.660 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186842588 333379642 /nfs/dbraw/zinc/37/96/42/333379642.db2.gz AXVMSVIXLWDSJS-SJKOYZFVSA-N 1 0 302.349 4.536 20 5 DJBDRO CCC(CC)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000319811208 333409565 /nfs/dbraw/zinc/40/95/65/333409565.db2.gz PGAIMGFFCLTSPH-LJQANCHMSA-N 1 0 312.413 4.862 20 5 DJBDRO CCc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000320202919 333514064 /nfs/dbraw/zinc/51/40/64/333514064.db2.gz RTNYJBSRAOVGFM-LJQANCHMSA-N 1 0 312.413 4.644 20 5 DJBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccoc2)C2CCCCC2)c1 ZINC000303836453 334333881 /nfs/dbraw/zinc/33/38/81/334333881.db2.gz AVJMILAAEDLOST-UHFFFAOYSA-N 1 0 314.385 4.523 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000192725172 336259395 /nfs/dbraw/zinc/25/93/95/336259395.db2.gz WXFQEOHBGXNWTL-PIGZYNQJSA-N 1 0 320.339 4.675 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000192796387 336262245 /nfs/dbraw/zinc/26/22/45/336262245.db2.gz ZJRDIPLTXMBNQA-LIRRHRJNSA-N 1 0 310.397 4.705 20 5 DJBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000192836198 336265318 /nfs/dbraw/zinc/26/53/18/336265318.db2.gz WHSFWZSRSFGCMG-KRWDZBQOSA-N 1 0 316.426 4.677 20 5 DJBDRO Cc1c(C[NH2+][C@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000532687821 336267520 /nfs/dbraw/zinc/26/75/20/336267520.db2.gz DTHOXJQBYLBUHV-LJQANCHMSA-N 1 0 310.397 4.534 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000193023650 336287153 /nfs/dbraw/zinc/28/71/53/336287153.db2.gz XAORRNDQSPWKMN-YVEFUNNKSA-N 1 0 302.349 4.536 20 5 DJBDRO CCc1oc2ccccc2c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000392557134 337263331 /nfs/dbraw/zinc/26/33/31/337263331.db2.gz CRBNNRUSQMVZBO-UHFFFAOYSA-N 1 0 324.380 4.502 20 5 DJBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3ccccc3)s2)cc1 ZINC000237983680 337469889 /nfs/dbraw/zinc/46/98/89/337469889.db2.gz MNQRGMAEYAWSPJ-UHFFFAOYSA-N 1 0 324.405 4.613 20 5 DJBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000322132113 337562501 /nfs/dbraw/zinc/56/25/01/337562501.db2.gz YVOZDBSXTWHVQA-LPMFXHHGSA-N 1 0 310.397 4.884 20 5 DJBDRO CCC[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000536850080 337745160 /nfs/dbraw/zinc/74/51/60/337745160.db2.gz DIKBQKDJBWVOAL-HIFRSBDPSA-N 1 0 312.360 4.604 20 5 DJBDRO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000428872970 338063792 /nfs/dbraw/zinc/06/37/92/338063792.db2.gz QLLZJDYOVIMIEI-CYBMUJFWSA-N 1 0 304.415 4.628 20 5 DJBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435780577 338248859 /nfs/dbraw/zinc/24/88/59/338248859.db2.gz WQGMPECMNMEBBD-NZEICVAKSA-N 1 0 322.408 4.534 20 5 DJBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3ccccc31)CCC2 ZINC000447517807 338553599 /nfs/dbraw/zinc/55/35/99/338553599.db2.gz UMFONYNIDNPXON-PMACEKPBSA-N 1 0 322.408 4.639 20 5 DJBDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000453143235 338799077 /nfs/dbraw/zinc/79/90/77/338799077.db2.gz DOPJURWKWNSSLB-OLZOCXBDSA-N 1 0 304.415 4.685 20 5 DJBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000495413030 339983552 /nfs/dbraw/zinc/98/35/52/339983552.db2.gz CSQFQOSGBAVENH-ZDUSSCGKSA-N 1 0 324.833 4.593 20 5 DJBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000500829893 340067947 /nfs/dbraw/zinc/06/79/47/340067947.db2.gz SXGNZQQZQLCBSO-XIRDDKMYSA-N 1 0 310.397 4.500 20 5 DJBDRO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000503550809 340130267 /nfs/dbraw/zinc/13/02/67/340130267.db2.gz IWXOZBWMGAAEGJ-UHFFFAOYSA-N 1 0 318.804 4.582 20 5 DJBDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000504900157 340155252 /nfs/dbraw/zinc/15/52/52/340155252.db2.gz SAQYCBRCIPNFSF-GLJUWKHASA-N 1 0 310.397 4.802 20 5 DJBDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000504900159 340155365 /nfs/dbraw/zinc/15/53/65/340155365.db2.gz SAQYCBRCIPNFSF-LBTNJELSSA-N 1 0 310.397 4.802 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000236936521 340666499 /nfs/dbraw/zinc/66/64/99/340666499.db2.gz YMDRTMXYWUAZTL-INIZCTEOSA-N 1 0 322.767 4.628 20 5 DJBDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000538227454 340814110 /nfs/dbraw/zinc/81/41/10/340814110.db2.gz VHFLXNMXKGLJBU-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539042155 340866517 /nfs/dbraw/zinc/86/65/17/340866517.db2.gz VWDQSIKVVRPIQH-AUUYWEPGSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000539289785 340879382 /nfs/dbraw/zinc/87/93/82/340879382.db2.gz QIGWVTYXMLMQGS-ZDUSSCGKSA-N 1 0 318.804 4.716 20 5 DJBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540178955 340921007 /nfs/dbraw/zinc/92/10/07/340921007.db2.gz JXBLUGCIXLKXEX-KBXCAEBGSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540178956 340921123 /nfs/dbraw/zinc/92/11/23/340921123.db2.gz JXBLUGCIXLKXEX-KDOFPFPSSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1ccc2ccccc2c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540377623 340928858 /nfs/dbraw/zinc/92/88/58/340928858.db2.gz RAOALEMRVQTILG-HNNXBMFYSA-N 1 0 320.392 4.907 20 5 DJBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000544898932 341098358 /nfs/dbraw/zinc/09/83/58/341098358.db2.gz YLOKIVCECNERBS-CVEARBPZSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000544898936 341098395 /nfs/dbraw/zinc/09/83/95/341098395.db2.gz YLOKIVCECNERBS-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1ccc(C[NH2+][C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000072727138 341101674 /nfs/dbraw/zinc/10/16/74/341101674.db2.gz LFDQBXZNENUWIH-CYBMUJFWSA-N 1 0 310.353 4.500 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000545235847 341116327 /nfs/dbraw/zinc/11/63/27/341116327.db2.gz PYWXCECEIUBMRL-MLGOLLRUSA-N 1 0 316.426 4.693 20 5 DJBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000077221002 341221153 /nfs/dbraw/zinc/22/11/53/341221153.db2.gz PEXDJRVDBQBAID-ZDUSSCGKSA-N 1 0 310.353 4.500 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000079723741 341264591 /nfs/dbraw/zinc/26/45/91/341264591.db2.gz XMDOEPDYJWKGCB-PXAZEXFGSA-N 1 0 302.349 4.536 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000089512095 341405249 /nfs/dbraw/zinc/40/52/49/341405249.db2.gz FWODSHIVAYPWMB-NSHDSACASA-N 1 0 310.806 4.551 20 5 DJBDRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000556230901 341498281 /nfs/dbraw/zinc/49/82/81/341498281.db2.gz QTTJMPJJOGGTAU-NEPJUHHUSA-N 1 0 322.405 4.722 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000178657694 341961164 /nfs/dbraw/zinc/96/11/64/341961164.db2.gz UILBMRCLWQUUCA-DIFFPNOSSA-N 1 0 320.339 4.675 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177030 518178390 /nfs/dbraw/zinc/17/83/90/518178390.db2.gz PFUZRNXFGFEABS-NWDGAFQWSA-N 1 0 304.777 4.660 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000275785067 130387263 /nfs/dbraw/zinc/38/72/63/130387263.db2.gz WLTSXWPZBZPJIW-LBPRGKRZSA-N 1 0 320.339 4.692 20 5 DJBDRO C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000525868718 335066936 /nfs/dbraw/zinc/06/69/36/335066936.db2.gz YLIIKBBZBRIBAQ-WBAXXEDZSA-N 1 0 310.397 4.582 20 5 DJBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2cccs2)c2ccccc2)c1 ZINC000179996261 331554738 /nfs/dbraw/zinc/55/47/38/331554738.db2.gz FZXLWPQLRLCOGT-SFHVURJKSA-N 1 0 324.405 4.536 20 5 DJBDRO Cc1c(C[NH2+][C@@H](CC2CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000569325971 331690325 /nfs/dbraw/zinc/69/03/25/331690325.db2.gz DFMBLHPTDFXQNV-SFHVURJKSA-N 1 0 310.397 4.534 20 5 DJBDRO Cc1cc2cc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000556914297 331753279 /nfs/dbraw/zinc/75/32/79/331753279.db2.gz FZXATFNUQRLOQW-CQSZACIVSA-N 1 0 323.396 4.544 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090068420 331978006 /nfs/dbraw/zinc/97/80/06/331978006.db2.gz ZAPGVFWBGCOAOH-DIFFPNOSSA-N 1 0 320.339 4.675 20 5 DJBDRO CC(C)c1ccc(C[NH2+]Cc2coc3ccccc23)cc1[N+](=O)[O-] ZINC000559303493 332021325 /nfs/dbraw/zinc/02/13/25/332021325.db2.gz XKCVCKPVRLWRMO-UHFFFAOYSA-N 1 0 324.380 4.754 20 5 DJBDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000569438134 332082804 /nfs/dbraw/zinc/08/28/04/332082804.db2.gz ZURJZYMYMPKLDW-CYBMUJFWSA-N 1 0 318.804 4.716 20 5 DJBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000560073456 332308272 /nfs/dbraw/zinc/30/82/72/332308272.db2.gz VKDMUBMVUCSWFJ-UHFFFAOYSA-N 1 0 318.804 4.582 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178649636 333017417 /nfs/dbraw/zinc/01/74/17/333017417.db2.gz DFEVCNITRGYSSW-QWRGUYRKSA-N 1 0 322.767 4.799 20 5 DJBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000180246992 333027116 /nfs/dbraw/zinc/02/71/16/333027116.db2.gz YLENORYDLDPYGP-SJCJKPOMSA-N 1 0 302.349 4.536 20 5 DJBDRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000497320632 333235251 /nfs/dbraw/zinc/23/52/51/333235251.db2.gz WZCXYPBUWGVSEO-LBPRGKRZSA-N 1 0 316.426 4.602 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000020526140 333319838 /nfs/dbraw/zinc/31/98/38/333319838.db2.gz KSKWSUFMOWZJFS-VXGBXAGGSA-N 1 0 304.777 4.660 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000020545600 333321811 /nfs/dbraw/zinc/32/18/11/333321811.db2.gz KRNGZNCKUMEFER-NWDGAFQWSA-N 1 0 304.777 4.660 20 5 DJBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000319687766 333396992 /nfs/dbraw/zinc/39/69/92/333396992.db2.gz BHXZNLPWWJRSEO-CVEARBPZSA-N 1 0 312.413 4.932 20 5 DJBDRO CCc1ccc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000320127632 333427186 /nfs/dbraw/zinc/42/71/86/333427186.db2.gz FZESLISTHQUDCM-IBGZPJMESA-N 1 0 312.413 4.644 20 5 DJBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531719734 333550851 /nfs/dbraw/zinc/55/08/51/333550851.db2.gz IDYMKYKRUSMIGM-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000160789842 333660855 /nfs/dbraw/zinc/66/08/55/333660855.db2.gz RWDXQCCZRYWLAA-DIFFPNOSSA-N 1 0 320.339 4.675 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000531944247 334300292 /nfs/dbraw/zinc/30/02/92/334300292.db2.gz NDMXRIKZSRHPSR-SJKOYZFVSA-N 1 0 316.426 4.767 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000049159196 334323039 /nfs/dbraw/zinc/32/30/39/334323039.db2.gz UVNXDXDXINMCTR-STQMWFEESA-N 1 0 304.415 4.685 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000417357813 334707535 /nfs/dbraw/zinc/70/75/35/334707535.db2.gz SDNANARXZJGGLZ-UONOGXRCSA-N 1 0 310.397 4.884 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000050443827 334713321 /nfs/dbraw/zinc/71/33/21/334713321.db2.gz KAZITNIIUKVELR-LBPRGKRZSA-N 1 0 310.806 4.551 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1csc(Cl)c1 ZINC000191213841 335639623 /nfs/dbraw/zinc/63/96/23/335639623.db2.gz XFBQFSRALZAHSX-VHSXEESVSA-N 1 0 310.806 4.722 20 5 DJBDRO CC(C)(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000042800659 336242807 /nfs/dbraw/zinc/24/28/07/336242807.db2.gz NWHCWVDWWGHFHM-KRWDZBQOSA-N 1 0 316.376 4.611 20 5 DJBDRO Cc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532510982 336252967 /nfs/dbraw/zinc/25/29/67/336252967.db2.gz BFVFHSIOPRKZKE-KUHUBIRLSA-N 1 0 310.397 4.705 20 5 DJBDRO Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532510979 336253034 /nfs/dbraw/zinc/25/30/34/336253034.db2.gz BFVFHSIOPRKZKE-AUUYWEPGSA-N 1 0 310.397 4.705 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000193895291 337079928 /nfs/dbraw/zinc/07/99/28/337079928.db2.gz ZBRPMFIORQWJOU-YVEFUNNKSA-N 1 0 302.349 4.536 20 5 DJBDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000321075739 337194475 /nfs/dbraw/zinc/19/44/75/337194475.db2.gz QMTAISFRMFNCQB-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000584420237 337323622 /nfs/dbraw/zinc/32/36/22/337323622.db2.gz CUQKMOBMGQNZAZ-BDJLRTHQSA-N 1 0 316.788 4.586 20 5 DJBDRO CC(C)(C)C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000315399725 337986350 /nfs/dbraw/zinc/98/63/50/337986350.db2.gz HPTHFPUCTXLTOU-HNNXBMFYSA-N 1 0 318.442 4.923 20 5 DJBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000426288318 338024620 /nfs/dbraw/zinc/02/46/20/338024620.db2.gz IQROXICVPKTBQN-IFXJQAMLSA-N 1 0 310.397 4.631 20 5 DJBDRO CCSc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000426333736 338027483 /nfs/dbraw/zinc/02/74/83/338027483.db2.gz JCHDERMUYAMESU-ZDUSSCGKSA-N 1 0 316.426 4.558 20 5 DJBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433149358 338183002 /nfs/dbraw/zinc/18/30/02/338183002.db2.gz ISLOWJWATIUGKT-UGSOOPFHSA-N 1 0 310.397 4.668 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000437092435 338300497 /nfs/dbraw/zinc/30/04/97/338300497.db2.gz MCMNNGTTXSAMRG-AAEUAGOBSA-N 1 0 318.339 4.531 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447530087 338554481 /nfs/dbraw/zinc/55/44/81/338554481.db2.gz LYIGDHJNZRFGKU-AUUYWEPGSA-N 1 0 310.397 4.631 20 5 DJBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C3CC3)cc1)CCC2 ZINC000447596872 338560999 /nfs/dbraw/zinc/56/09/99/338560999.db2.gz DQOYUWRXNPSRFJ-FQEVSTJZSA-N 1 0 322.408 4.639 20 5 DJBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000194757731 338744446 /nfs/dbraw/zinc/74/44/46/338744446.db2.gz XGGHFPMCHPPWFV-AWEZNQCLSA-N 1 0 306.365 4.599 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000194783006 338750437 /nfs/dbraw/zinc/75/04/37/338750437.db2.gz MXOLDDFDSRUFOP-CQSZACIVSA-N 1 0 306.365 4.599 20 5 DJBDRO C[C@@H]([NH2+]Cc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000195260176 338886692 /nfs/dbraw/zinc/88/66/92/338886692.db2.gz RZRMVPSQBNMOTO-CQSZACIVSA-N 1 0 306.365 4.599 20 5 DJBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(Cl)c1 ZINC000195673452 338913913 /nfs/dbraw/zinc/91/39/13/338913913.db2.gz CHDBJUFYQXYTRZ-MRXNPFEDSA-N 1 0 318.804 4.798 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000479766601 339548113 /nfs/dbraw/zinc/54/81/13/339548113.db2.gz QEDHCRBSICNNRK-CHWSQXEVSA-N 1 0 318.804 4.968 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)cccc1[N+](=O)[O-] ZINC000480162296 339561203 /nfs/dbraw/zinc/56/12/03/339561203.db2.gz KZXMTLQPEYUURN-DNVCBOLYSA-N 1 0 312.413 4.951 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000489965732 339822572 /nfs/dbraw/zinc/82/25/72/339822572.db2.gz NJDZENKIXOEGSK-STQMWFEESA-N 1 0 318.804 4.968 20 5 DJBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000500829891 340067928 /nfs/dbraw/zinc/06/79/28/340067928.db2.gz SXGNZQQZQLCBSO-DJIMGWMZSA-N 1 0 310.397 4.500 20 5 DJBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)oc1C ZINC000502467979 340104861 /nfs/dbraw/zinc/10/48/61/340104861.db2.gz ZSSGLBRALSPPTC-STQMWFEESA-N 1 0 302.374 4.525 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000506276757 340190775 /nfs/dbraw/zinc/19/07/75/340190775.db2.gz FCVPLIYRFHINJB-CYBMUJFWSA-N 1 0 314.385 4.523 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3occc3c2)cc1[N+](=O)[O-] ZINC000512044713 340346499 /nfs/dbraw/zinc/34/64/99/340346499.db2.gz HIECLJQIELFWPN-CYBMUJFWSA-N 1 0 310.353 4.500 20 5 DJBDRO CCc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000236978690 340666930 /nfs/dbraw/zinc/66/69/30/340666930.db2.gz UGKVNCIOAKXRGT-LBPRGKRZSA-N 1 0 318.804 4.661 20 5 DJBDRO Cc1c(C[NH2+][C@H](C)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000326361616 340714266 /nfs/dbraw/zinc/71/42/66/340714266.db2.gz HCENABZWMFLCQG-OAHLLOKOSA-N 1 0 320.392 4.907 20 5 DJBDRO Cc1c(C[NH2+][C@H](C)c2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000326367361 340714451 /nfs/dbraw/zinc/71/44/51/340714451.db2.gz INNYXFSZEGNJBW-OAHLLOKOSA-N 1 0 320.392 4.907 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000037177031 340769344 /nfs/dbraw/zinc/76/93/44/340769344.db2.gz PFUZRNXFGFEABS-NEPJUHHUSA-N 1 0 304.777 4.660 20 5 DJBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1C(C)(C)C ZINC000537992245 340806342 /nfs/dbraw/zinc/80/63/42/340806342.db2.gz WUPZMBWGCJPWPF-AWEZNQCLSA-N 1 0 312.413 4.743 20 5 DJBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540179568 340920979 /nfs/dbraw/zinc/92/09/79/340920979.db2.gz XLMKWJBCDVFVKB-IFXJQAMLSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000544897202 341098182 /nfs/dbraw/zinc/09/81/82/341098182.db2.gz BKKYKTKXBLWCBV-JKSUJKDBSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000545200950 341113320 /nfs/dbraw/zinc/11/33/20/341113320.db2.gz INRXBDCFPOSOIC-LBPRGKRZSA-N 1 0 320.339 4.692 20 5 DJBDRO CCC[C@H]([NH2+][C@@H](CC)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000546165329 341155459 /nfs/dbraw/zinc/15/54/59/341155459.db2.gz DZTACNIHEOJEJJ-JSGCOSHPSA-N 1 0 318.339 4.757 20 5 DJBDRO CCC[C@@H]([NH2+][C@H](CC)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000546165331 341155463 /nfs/dbraw/zinc/15/54/63/341155463.db2.gz DZTACNIHEOJEJJ-TZMCWYRMSA-N 1 0 318.339 4.757 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCc3sccc32)cccc1[N+](=O)[O-] ZINC000134966773 341227529 /nfs/dbraw/zinc/22/75/29/341227529.db2.gz VNGPUUBHLOPDJQ-SWLSCSKDSA-N 1 0 316.426 4.693 20 5 DJBDRO Cc1ccc([C@@H](C)N[C@@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000078968588 341250684 /nfs/dbraw/zinc/25/06/84/341250684.db2.gz LORSCBFNXIDBTM-NEPJUHHUSA-N 1 0 320.339 4.593 20 5 DJBDRO O=[N+]([O-])c1ccccc1C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000552116206 341370665 /nfs/dbraw/zinc/37/06/65/341370665.db2.gz HHNZKDWQSFLXTK-HXUWFJFHSA-N 1 0 322.408 4.637 20 5 DJBDRO Cc1c(C[N@@H+]2CCCCC[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000078830412 185117280 /nfs/dbraw/zinc/11/72/80/185117280.db2.gz DEVIUJWGUDTUHD-KRWDZBQOSA-N 1 0 314.385 4.614 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000320418420 334998700 /nfs/dbraw/zinc/99/87/00/334998700.db2.gz JCNSLCNAJXYDLX-QGZVFWFLSA-N 1 0 320.339 4.504 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000036992057 182858926 /nfs/dbraw/zinc/85/89/26/182858926.db2.gz URWOYAFYKXHHCG-VHSXEESVSA-N 1 0 310.806 4.722 20 5 DJBDRO CC[C@@H]([NH2+]Cc1cccc(C(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000275785220 130387320 /nfs/dbraw/zinc/38/73/20/130387320.db2.gz WODHSBVCSMIYIG-MRXNPFEDSA-N 1 0 320.339 4.773 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000525868715 335066788 /nfs/dbraw/zinc/06/67/88/335066788.db2.gz YLIIKBBZBRIBAQ-BMGDILEWSA-N 1 0 310.397 4.582 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000102196723 332917877 /nfs/dbraw/zinc/91/78/77/332917877.db2.gz NZIUHXNDNJKDLD-IUODEOHRSA-N 1 0 316.426 4.693 20 5 DJBDRO Cc1c(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)cccc1[N+](=O)[O-] ZINC000323044577 331594992 /nfs/dbraw/zinc/59/49/92/331594992.db2.gz DEWYKUSOVHKDIZ-ACJLOTCBSA-N 1 0 310.397 4.631 20 5 DJBDRO Cc1c(C[NH2+][C@H](CC2CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000569325970 331690414 /nfs/dbraw/zinc/69/04/14/331690414.db2.gz DFMBLHPTDFXQNV-GOSISDBHSA-N 1 0 310.397 4.534 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000539296197 331696246 /nfs/dbraw/zinc/69/62/46/331696246.db2.gz YRMPRQPIAAVSBQ-WDEREUQCSA-N 1 0 322.767 4.799 20 5 DJBDRO CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000409894128 332062953 /nfs/dbraw/zinc/06/29/53/332062953.db2.gz BIVYROLSAFDUDA-QWHCGFSZSA-N 1 0 316.426 4.729 20 5 DJBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000090078072 332082942 /nfs/dbraw/zinc/08/29/42/332082942.db2.gz CREIXQKSWLEQID-GTNSWQLSSA-N 1 0 320.339 4.675 20 5 DJBDRO Cc1c(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000180735297 333028413 /nfs/dbraw/zinc/02/84/13/333028413.db2.gz ZTUPMCLMUKJJSH-LLVKDONJSA-N 1 0 322.767 4.547 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000314053463 333084660 /nfs/dbraw/zinc/08/46/60/333084660.db2.gz PJMPZZKPFHUGMQ-CHWSQXEVSA-N 1 0 318.804 4.968 20 5 DJBDRO CCC[C@H]([NH2+][C@H]1CCCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC000120788355 333306934 /nfs/dbraw/zinc/30/69/34/333306934.db2.gz DCOKRVOFEUHVIG-IRXDYDNUSA-N 1 0 314.385 4.696 20 5 DJBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000184365700 333356606 /nfs/dbraw/zinc/35/66/06/333356606.db2.gz PAWIRIJDFLDCQS-LBPRGKRZSA-N 1 0 312.394 4.660 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186842547 333379692 /nfs/dbraw/zinc/37/96/92/333379692.db2.gz AXVMSVIXLWDSJS-YVEFUNNKSA-N 1 0 302.349 4.536 20 5 DJBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000319687770 333397014 /nfs/dbraw/zinc/39/70/14/333397014.db2.gz BHXZNLPWWJRSEO-HOTGVXAUSA-N 1 0 312.413 4.932 20 5 DJBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000319770426 333403638 /nfs/dbraw/zinc/40/36/38/333403638.db2.gz XEOIGLRCYHPCOU-SCLBCKFNSA-N 1 0 316.376 4.782 20 5 DJBDRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000531711628 333549174 /nfs/dbraw/zinc/54/91/74/333549174.db2.gz KIOIOLHVMCBYJM-HOTGVXAUSA-N 1 0 312.413 4.932 20 5 DJBDRO CC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)CC(F)(F)F ZINC000414255564 333928295 /nfs/dbraw/zinc/92/82/95/333928295.db2.gz FRMAZHIPBSRLAM-NEPJUHHUSA-N 1 0 318.339 4.532 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000531944248 334300175 /nfs/dbraw/zinc/30/01/75/334300175.db2.gz NDMXRIKZSRHPSR-YVEFUNNKSA-N 1 0 316.426 4.767 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000050225213 334376496 /nfs/dbraw/zinc/37/64/96/334376496.db2.gz GRDXPTPFVYZURU-MRXNPFEDSA-N 1 0 304.415 4.596 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000417356294 334707438 /nfs/dbraw/zinc/70/74/38/334707438.db2.gz PASRIKHKZBNJRX-ZIAGYGMSSA-N 1 0 310.397 4.884 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000191370136 335683215 /nfs/dbraw/zinc/68/32/15/335683215.db2.gz XQRTYVLQXUJGNF-STQMWFEESA-N 1 0 310.353 4.753 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000324806804 336259090 /nfs/dbraw/zinc/25/90/90/336259090.db2.gz BTODHFZLWXXGJR-LSDHHAIUSA-N 1 0 324.424 4.885 20 5 DJBDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192756299 336260582 /nfs/dbraw/zinc/26/05/82/336260582.db2.gz DJIBSZJAHXBMOK-OLZOCXBDSA-N 1 0 316.426 4.729 20 5 DJBDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000321075737 337194470 /nfs/dbraw/zinc/19/44/70/337194470.db2.gz QMTAISFRMFNCQB-HOTGVXAUSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000120909585 337882983 /nfs/dbraw/zinc/88/29/83/337882983.db2.gz MEPBAFMHVIYLFB-LLVKDONJSA-N 1 0 322.767 4.547 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000537093920 337889378 /nfs/dbraw/zinc/88/93/78/337889378.db2.gz GWNDNFQYHWGECW-WDEREUQCSA-N 1 0 322.767 4.799 20 5 DJBDRO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000315381507 337985836 /nfs/dbraw/zinc/98/58/36/337985836.db2.gz DLPMSQMQAHNZJF-OLZOCXBDSA-N 1 0 316.426 4.729 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000152772892 338211588 /nfs/dbraw/zinc/21/15/88/338211588.db2.gz MCRDJNBKYCRYFC-QWHCGFSZSA-N 1 0 310.353 4.753 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000152772783 338211659 /nfs/dbraw/zinc/21/16/59/338211659.db2.gz MCRDJNBKYCRYFC-OLZOCXBDSA-N 1 0 310.353 4.753 20 5 DJBDRO CSc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000440620547 338392792 /nfs/dbraw/zinc/39/27/92/338392792.db2.gz ZUYKPPBBILAJIE-OLZOCXBDSA-N 1 0 316.426 4.729 20 5 DJBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3ccccc31)CCC2 ZINC000447517808 338553616 /nfs/dbraw/zinc/55/36/16/338553616.db2.gz UMFONYNIDNPXON-UXHICEINSA-N 1 0 322.408 4.639 20 5 DJBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1F ZINC000461083864 339058799 /nfs/dbraw/zinc/05/87/99/339058799.db2.gz DBBQEJTZUSVPFD-OAHLLOKOSA-N 1 0 322.767 4.628 20 5 DJBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C3CCCC3)cc2)cc1 ZINC000462796245 339089308 /nfs/dbraw/zinc/08/93/08/339089308.db2.gz LVKIWPWBWNJXSB-UHFFFAOYSA-N 1 0 310.397 4.542 20 5 DJBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cc2ccccc2o1 ZINC000472292795 339369182 /nfs/dbraw/zinc/36/91/82/339369182.db2.gz MANRCKFHTPFJQZ-ZDUSSCGKSA-N 1 0 310.353 4.534 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479254711 339529968 /nfs/dbraw/zinc/52/99/68/339529968.db2.gz WEMLWZZRLYOGRC-PIGZYNQJSA-N 1 0 316.788 4.586 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000485799932 339713155 /nfs/dbraw/zinc/71/31/55/339713155.db2.gz KKIHFMNSRDBPSH-HNAYVOBHSA-N 1 0 312.413 4.951 20 5 DJBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccsc2)CC1 ZINC000486009979 339718418 /nfs/dbraw/zinc/71/84/18/339718418.db2.gz VWJZIZBDNQOUQF-CYBMUJFWSA-N 1 0 316.426 4.597 20 5 DJBDRO CCC(CC)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000507914471 340235813 /nfs/dbraw/zinc/23/58/13/340235813.db2.gz OWZZOHVONLCHQS-KRWDZBQOSA-N 1 0 318.442 4.923 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000236934163 340666445 /nfs/dbraw/zinc/66/64/45/340666445.db2.gz DHTKJWQZVGEOGX-INIZCTEOSA-N 1 0 318.804 4.798 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000037177032 340769319 /nfs/dbraw/zinc/76/93/19/340769319.db2.gz PFUZRNXFGFEABS-VXGBXAGGSA-N 1 0 304.777 4.660 20 5 DJBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000538116487 340810222 /nfs/dbraw/zinc/81/02/22/340810222.db2.gz KREKQQXCBVDMTD-QGZVFWFLSA-N 1 0 318.804 4.735 20 5 DJBDRO CCC[C@@H]([NH2+]C1(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000538524447 340831265 /nfs/dbraw/zinc/83/12/65/340831265.db2.gz VIEORHVDDDUOGV-GOSISDBHSA-N 1 0 310.397 4.715 20 5 DJBDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000540139256 340916204 /nfs/dbraw/zinc/91/62/04/340916204.db2.gz PJKVHUSZYPALJZ-RTBURBONSA-N 1 0 310.397 4.631 20 5 DJBDRO Cc1ccccc1[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000540360795 340928353 /nfs/dbraw/zinc/92/83/53/340928353.db2.gz BYOYVHVSTAITLL-IBGZPJMESA-N 1 0 312.413 4.699 20 5 DJBDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000541846873 340985505 /nfs/dbraw/zinc/98/55/05/340985505.db2.gz DXUSZBBZJDREQW-CKFHNAJUSA-N 1 0 310.397 4.569 20 5 DJBDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000541846875 340985601 /nfs/dbraw/zinc/98/56/01/340985601.db2.gz DXUSZBBZJDREQW-TYILLQQXSA-N 1 0 310.397 4.569 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000544897200 341098268 /nfs/dbraw/zinc/09/82/68/341098268.db2.gz BKKYKTKXBLWCBV-HOTGVXAUSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000544898938 341098433 /nfs/dbraw/zinc/09/84/33/341098433.db2.gz YLOKIVCECNERBS-JKSUJKDBSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1c(C)cccc1C ZINC000546224113 341157642 /nfs/dbraw/zinc/15/76/42/341157642.db2.gz KRMBQUNRFCEYSR-JKSUJKDBSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1oc2ccccc2c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000546649342 341177143 /nfs/dbraw/zinc/17/71/43/341177143.db2.gz MQLCDPLOLMFNKQ-CYBMUJFWSA-N 1 0 324.380 4.809 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1nccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000567432391 341604518 /nfs/dbraw/zinc/60/45/18/341604518.db2.gz SENJAMVWTANOBX-ZIAGYGMSSA-N 1 0 321.380 4.555 20 5 DJBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cc2ccccc2o1 ZINC000577886683 341946591 /nfs/dbraw/zinc/94/65/91/341946591.db2.gz RRFLRSBZPQAMGS-WBMJQRKESA-N 1 0 322.364 4.679 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000020015683 182178505 /nfs/dbraw/zinc/17/85/05/182178505.db2.gz SBSVRGNNKJYZMS-NEPJUHHUSA-N 1 0 304.777 4.660 20 5 DJBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000022746002 182332453 /nfs/dbraw/zinc/33/24/53/182332453.db2.gz HESAKXANIWJJOQ-IUODEOHRSA-N 1 0 302.399 4.554 20 5 DJBDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)c(C)s1 ZINC000073649976 331670438 /nfs/dbraw/zinc/67/04/38/331670438.db2.gz STNROOOGDQTQPY-JTQLQIEISA-N 1 0 324.833 4.777 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090068430 331978045 /nfs/dbraw/zinc/97/80/45/331978045.db2.gz WXFQEOHBGXNWTL-DIFFPNOSSA-N 1 0 320.339 4.675 20 5 DJBDRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000409894127 332063054 /nfs/dbraw/zinc/06/30/54/332063054.db2.gz BIVYROLSAFDUDA-CHWSQXEVSA-N 1 0 316.426 4.729 20 5 DJBDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000569438140 332082843 /nfs/dbraw/zinc/08/28/43/332082843.db2.gz ZURJZYMYMPKLDW-ZDUSSCGKSA-N 1 0 318.804 4.716 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000569559555 332137968 /nfs/dbraw/zinc/13/79/68/332137968.db2.gz SDIDRQLAALRRSP-QWRGUYRKSA-N 1 0 322.767 4.799 20 5 DJBDRO CC(C)(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000047168408 332300543 /nfs/dbraw/zinc/30/05/43/332300543.db2.gz GJFNJYTUAZALKT-HNNXBMFYSA-N 1 0 322.405 4.672 20 5 DJBDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000560910579 332394198 /nfs/dbraw/zinc/39/41/98/332394198.db2.gz UQMDSBAOHZHZCH-TYILLQQXSA-N 1 0 310.397 4.569 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1nccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000562082643 332544151 /nfs/dbraw/zinc/54/41/51/332544151.db2.gz SNJDSUWZWXJHPC-KGLIPLIRSA-N 1 0 321.380 4.555 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000178657682 333017779 /nfs/dbraw/zinc/01/77/79/333017779.db2.gz UILBMRCLWQUUCA-APPDUMDISA-N 1 0 320.339 4.675 20 5 DJBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000178657668 333017828 /nfs/dbraw/zinc/01/78/28/333017828.db2.gz UILBMRCLWQUUCA-GTNSWQLSSA-N 1 0 320.339 4.675 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000180247005 333027000 /nfs/dbraw/zinc/02/70/00/333027000.db2.gz YLENORYDLDPYGP-YVEFUNNKSA-N 1 0 302.349 4.536 20 5 DJBDRO Cc1c(C[NH2+][C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000182635141 333043715 /nfs/dbraw/zinc/04/37/15/333043715.db2.gz ZZPDNGBUSGMOLN-CYBMUJFWSA-N 1 0 310.353 4.500 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000314053464 333084721 /nfs/dbraw/zinc/08/47/21/333084721.db2.gz PJMPZZKPFHUGMQ-OLZOCXBDSA-N 1 0 318.804 4.968 20 5 DJBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C(F)F)cc2)cccc1[N+](=O)[O-] ZINC000185358799 333207452 /nfs/dbraw/zinc/20/74/52/333207452.db2.gz DDPVJEIHHUBRLS-LBPRGKRZSA-N 1 0 320.339 4.692 20 5 DJBDRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000497320853 333235835 /nfs/dbraw/zinc/23/58/35/333235835.db2.gz YRRKSVJBBAYJMA-LBPRGKRZSA-N 1 0 316.426 4.602 20 5 DJBDRO CCC[C@H]([NH2+]Cc1ccc(CC)s1)c1cccc([N+](=O)[O-])c1 ZINC000319142466 333264379 /nfs/dbraw/zinc/26/43/79/333264379.db2.gz UOLGWPBYBRLJDD-KRWDZBQOSA-N 1 0 318.442 4.850 20 5 DJBDRO CC(C)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000390683024 333314881 /nfs/dbraw/zinc/31/48/81/333314881.db2.gz VBIZNRKHOGCWBU-FZKQIMNGSA-N 1 0 316.376 4.782 20 5 DJBDRO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000319687774 333397010 /nfs/dbraw/zinc/39/70/10/333397010.db2.gz BHXZNLPWWJRSEO-JKSUJKDBSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1c2ccccc2oc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531711806 333549293 /nfs/dbraw/zinc/54/92/93/333549293.db2.gz BLBFCFLKDCWWGW-CQSZACIVSA-N 1 0 324.380 4.809 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000531944245 334300208 /nfs/dbraw/zinc/30/02/08/334300208.db2.gz NDMXRIKZSRHPSR-PXAZEXFGSA-N 1 0 316.426 4.767 20 5 DJBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccoc2)C2CCCCC2)cc1 ZINC000303860250 334338785 /nfs/dbraw/zinc/33/87/85/334338785.db2.gz GKOURSDSDJHSEI-UHFFFAOYSA-N 1 0 314.385 4.523 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000049529262 334345410 /nfs/dbraw/zinc/34/54/10/334345410.db2.gz UJFHJSOWYVDRCK-OCCSQVGLSA-N 1 0 304.415 4.767 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000417357815 334707431 /nfs/dbraw/zinc/70/74/31/334707431.db2.gz SDNANARXZJGGLZ-ZIAGYGMSSA-N 1 0 310.397 4.884 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000526112980 336165459 /nfs/dbraw/zinc/16/54/59/336165459.db2.gz QRAITTUTDJPOPC-BHYGNILZSA-N 1 0 310.397 4.582 20 5 DJBDRO C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000526112983 336165627 /nfs/dbraw/zinc/16/56/27/336165627.db2.gz QRAITTUTDJPOPC-XIRDDKMYSA-N 1 0 310.397 4.582 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000526112982 336165639 /nfs/dbraw/zinc/16/56/39/336165639.db2.gz QRAITTUTDJPOPC-USXIJHARSA-N 1 0 310.397 4.582 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000321549383 337276131 /nfs/dbraw/zinc/27/61/31/337276131.db2.gz VWGSYQKOEQUOST-KGLIPLIRSA-N 1 0 316.376 4.763 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000321698762 337284360 /nfs/dbraw/zinc/28/43/60/337284360.db2.gz ZQXMBMWHRFSAAE-CVEARBPZSA-N 1 0 312.413 4.932 20 5 DJBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)cs1 ZINC000520787706 337391220 /nfs/dbraw/zinc/39/12/20/337391220.db2.gz YXVDQEOOCPERMU-MRXNPFEDSA-N 1 0 316.426 4.774 20 5 DJBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536825195 337604139 /nfs/dbraw/zinc/60/41/39/337604139.db2.gz FNAMVLXVVSUIPP-KSSFIOAISA-N 1 0 310.397 4.550 20 5 DJBDRO CC(C)(C)C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000315399728 337986410 /nfs/dbraw/zinc/98/64/10/337986410.db2.gz HPTHFPUCTXLTOU-OAHLLOKOSA-N 1 0 318.442 4.923 20 5 DJBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000426292693 338024994 /nfs/dbraw/zinc/02/49/94/338024994.db2.gz OYWSIKYOLAGXKY-AUUYWEPGSA-N 1 0 310.397 4.631 20 5 DJBDRO Cc1cc(C)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000429232929 338074131 /nfs/dbraw/zinc/07/41/31/338074131.db2.gz CCSAYUYSXHTVGG-UHFFFAOYSA-N 1 0 312.413 4.545 20 5 DJBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1cccs1 ZINC000432978043 338175147 /nfs/dbraw/zinc/17/51/47/338175147.db2.gz QGAYVQXWCDQSCT-WFASDCNBSA-N 1 0 302.399 4.554 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000436292210 338266693 /nfs/dbraw/zinc/26/66/93/338266693.db2.gz MPLQOIFUPCNGOW-WBAXXEDZSA-N 1 0 310.397 4.500 20 5 DJBDRO CC[C@H]([NH2+][C@@H](CC(F)(F)F)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000437071803 338299263 /nfs/dbraw/zinc/29/92/63/338299263.db2.gz AOUNGXRXMKPFCJ-KBPBESRZSA-N 1 0 318.339 4.613 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000437092438 338300446 /nfs/dbraw/zinc/30/04/46/338300446.db2.gz MCMNNGTTXSAMRG-DGCLKSJQSA-N 1 0 318.339 4.531 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000437098966 338300897 /nfs/dbraw/zinc/30/08/97/338300897.db2.gz YAZXBMRTBWPASX-YPMHNXCESA-N 1 0 318.339 4.531 20 5 DJBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccccc2)CC1 ZINC000441194213 338405057 /nfs/dbraw/zinc/40/50/57/338405057.db2.gz YVORUXICSBZZDH-OAHLLOKOSA-N 1 0 310.397 4.535 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000194757750 338744375 /nfs/dbraw/zinc/74/43/75/338744375.db2.gz XGGHFPMCHPPWFV-CQSZACIVSA-N 1 0 306.365 4.599 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C)c2ccsc21)c1ccc([N+](=O)[O-])cc1 ZINC000453230641 338811292 /nfs/dbraw/zinc/81/12/92/338811292.db2.gz SGZQAMKNLUENSB-MQIPJXDCSA-N 1 0 316.426 4.946 20 5 DJBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462790637 339088801 /nfs/dbraw/zinc/08/88/01/339088801.db2.gz LXUWSTDYRJORJP-UHFFFAOYSA-N 1 0 310.397 4.542 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+]C2CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000467448694 339239284 /nfs/dbraw/zinc/23/92/84/339239284.db2.gz MPLQOIFUPCNGOW-NNGSBXSVSA-N 1 0 310.397 4.500 20 5 DJBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000470176651 339313076 /nfs/dbraw/zinc/31/30/76/339313076.db2.gz XRJGWFYNMRGVOG-UELRPHRMSA-N 1 0 316.426 4.753 20 5 DJBDRO CCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccsc1 ZINC000478499519 339516708 /nfs/dbraw/zinc/51/67/08/339516708.db2.gz KROOKXDUHFOGEO-HNNXBMFYSA-N 1 0 304.415 4.596 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@H](c2cccs2)C2CC2)cccc1[N+](=O)[O-] ZINC000480241486 339564830 /nfs/dbraw/zinc/56/48/30/339564830.db2.gz PBMWJKICRMFFNW-SJCJKPOMSA-N 1 0 316.426 4.767 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000485799922 339713230 /nfs/dbraw/zinc/71/32/30/339713230.db2.gz KKIHFMNSRDBPSH-BEFAXECRSA-N 1 0 312.413 4.951 20 5 DJBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000489104845 339801938 /nfs/dbraw/zinc/80/19/38/339801938.db2.gz XYCRHOHXBDGPFQ-LJQANCHMSA-N 1 0 312.413 4.780 20 5 DJBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccc(F)cc1 ZINC000507719516 340229471 /nfs/dbraw/zinc/22/94/71/340229471.db2.gz SVMQYIQAJUSLON-CQSZACIVSA-N 1 0 316.376 4.625 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000219866925 340510983 /nfs/dbraw/zinc/51/09/83/340510983.db2.gz QXKCNWDTWKAPSO-KSSFIOAISA-N 1 0 310.397 4.631 20 5 DJBDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000538205284 340813180 /nfs/dbraw/zinc/81/31/80/340813180.db2.gz WJPQPRRYKAUTFL-ZDUSSCGKSA-N 1 0 318.804 4.716 20 5 DJBDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000540139255 340916115 /nfs/dbraw/zinc/91/61/15/340916115.db2.gz PJKVHUSZYPALJZ-RBUKOAKNSA-N 1 0 310.397 4.631 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000540221441 340924142 /nfs/dbraw/zinc/92/41/42/340924142.db2.gz GKSTUYZBZWREHF-LSDHHAIUSA-N 1 0 324.424 4.804 20 5 DJBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2cccs2)c(Cl)c1 ZINC000542923384 341026476 /nfs/dbraw/zinc/02/64/76/341026476.db2.gz FFEIMFHBWJTFLR-AWEZNQCLSA-N 1 0 322.817 4.647 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000550620378 341319581 /nfs/dbraw/zinc/31/95/81/341319581.db2.gz ZWQWLNIWSXNHNG-ZIAGYGMSSA-N 1 0 310.397 4.884 20 5 DJBDRO Cc1c(C[NH2+]C(C)(C)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000551350749 341339173 /nfs/dbraw/zinc/33/91/73/341339173.db2.gz XQOFTOAGQXLEOM-UHFFFAOYSA-N 1 0 318.804 4.582 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nccc2ccccc21 ZINC000567432390 341604426 /nfs/dbraw/zinc/60/44/26/341604426.db2.gz SENJAMVWTANOBX-UONOGXRCSA-N 1 0 321.380 4.555 20 5 DJBDRO Cc1c([C@@H](C)[NH2+]Cc2cc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000178486648 341956092 /nfs/dbraw/zinc/95/60/92/341956092.db2.gz AVEMNILFCLZGOT-CYBMUJFWSA-N 1 0 310.353 4.500 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000178657711 341961093 /nfs/dbraw/zinc/96/10/93/341961093.db2.gz UILBMRCLWQUUCA-PIGZYNQJSA-N 1 0 320.339 4.675 20 5 DJBDRO Cc1c(C[NH2+][C@H]2CC[C@H](C)c3ccsc32)cccc1[N+](=O)[O-] ZINC000453209497 518185925 /nfs/dbraw/zinc/18/59/25/518185925.db2.gz LLNMPEUCXMGPHZ-NHYWBVRUSA-N 1 0 316.426 4.693 20 5 DJBDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000563786325 335012546 /nfs/dbraw/zinc/01/25/46/335012546.db2.gz MIVSHYQVWZVNNP-LLVKDONJSA-N 1 0 322.455 4.537 20 5 DJBDRO CC(C)[N@H+](C/C=C/c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000518565192 332081213 /nfs/dbraw/zinc/08/12/13/332081213.db2.gz JFEHGPJPFFSHNW-RMKNXTFCSA-N 1 0 310.397 4.519 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000090078073 332082884 /nfs/dbraw/zinc/08/28/84/332082884.db2.gz CREIXQKSWLEQID-APPDUMDISA-N 1 0 320.339 4.675 20 5 DJBDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000560910578 332394370 /nfs/dbraw/zinc/39/43/70/332394370.db2.gz UQMDSBAOHZHZCH-NJSLBKSFSA-N 1 0 310.397 4.569 20 5 DJBDRO CC[C@H]([NH2+]Cc1cc2cc(C)ccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000561534060 332460319 /nfs/dbraw/zinc/46/03/19/332460319.db2.gz LBIKNNCLFCHSFX-SFHVURJKSA-N 1 0 324.380 4.890 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000180247025 333026974 /nfs/dbraw/zinc/02/69/74/333026974.db2.gz YLENORYDLDPYGP-PXAZEXFGSA-N 1 0 302.349 4.536 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000314053466 333084843 /nfs/dbraw/zinc/08/48/43/333084843.db2.gz PJMPZZKPFHUGMQ-STQMWFEESA-N 1 0 318.804 4.968 20 5 DJBDRO CCC[C@H]([NH2+][C@@H]1CCCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC000120788032 333307657 /nfs/dbraw/zinc/30/76/57/333307657.db2.gz DCOKRVOFEUHVIG-DLBZAZTESA-N 1 0 314.385 4.696 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)C(C)C)cc1[N+](=O)[O-] ZINC000319840298 333412410 /nfs/dbraw/zinc/41/24/10/333412410.db2.gz OFXJWIGUJWZIAN-KXBFYZLASA-N 1 0 312.413 4.951 20 5 DJBDRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000531713030 333549473 /nfs/dbraw/zinc/54/94/73/333549473.db2.gz YHVBFPYCLCOKTP-FZMZJTMJSA-N 1 0 318.442 4.555 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000049159205 334322751 /nfs/dbraw/zinc/32/27/51/334322751.db2.gz UVNXDXDXINMCTR-QWHCGFSZSA-N 1 0 304.415 4.685 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000342294967 334525898 /nfs/dbraw/zinc/52/58/98/334525898.db2.gz OPRNCZXKZPESFJ-MSOLQXFVSA-N 1 0 316.376 4.926 20 5 DJBDRO C[C@H]([NH2+]Cc1ccc(C2CCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000519691855 335889606 /nfs/dbraw/zinc/88/96/06/335889606.db2.gz HAASHVXYBFXBLV-AWEZNQCLSA-N 1 0 310.397 4.713 20 5 DJBDRO CC[C@@H]([NH2+]Cc1ccc2occc2c1)c1cccc([N+](=O)[O-])c1 ZINC000352758501 336235212 /nfs/dbraw/zinc/23/52/12/336235212.db2.gz YYBLFYCPKLMQAE-QGZVFWFLSA-N 1 0 310.353 4.582 20 5 DJBDRO CC(C)(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000042800664 336242740 /nfs/dbraw/zinc/24/27/40/336242740.db2.gz STZFNOPVZGWAIK-QGZVFWFLSA-N 1 0 316.376 4.611 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000582735116 337127793 /nfs/dbraw/zinc/12/77/93/337127793.db2.gz CUQKMOBMGQNZAZ-MEDUHNTESA-N 1 0 316.788 4.586 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000321698763 337284295 /nfs/dbraw/zinc/28/42/95/337284295.db2.gz ZQXMBMWHRFSAAE-HOTGVXAUSA-N 1 0 312.413 4.932 20 5 DJBDRO C[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424323805 337821020 /nfs/dbraw/zinc/82/10/20/337821020.db2.gz MMGITSILKPNCPY-BZNIZROVSA-N 1 0 314.410 4.526 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000315159282 337981454 /nfs/dbraw/zinc/98/14/54/337981454.db2.gz USDJDUBLKZPXFD-MRXNPFEDSA-N 1 0 318.804 4.879 20 5 DJBDRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000315330308 337985046 /nfs/dbraw/zinc/98/50/46/337985046.db2.gz VSNAZPNLNLHCHZ-OCCSQVGLSA-N 1 0 318.442 4.555 20 5 DJBDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000315381505 337985889 /nfs/dbraw/zinc/98/58/89/337985889.db2.gz DLPMSQMQAHNZJF-CHWSQXEVSA-N 1 0 316.426 4.729 20 5 DJBDRO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000428872973 338063769 /nfs/dbraw/zinc/06/37/69/338063769.db2.gz QLLZJDYOVIMIEI-ZDUSSCGKSA-N 1 0 304.415 4.628 20 5 DJBDRO CC(C)([NH2+]Cc1cccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429224466 338073858 /nfs/dbraw/zinc/07/38/58/338073858.db2.gz ARYPSIAPRMTDPR-UHFFFAOYSA-N 1 0 320.392 4.773 20 5 DJBDRO Cc1oc2ccccc2c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000430127128 338098116 /nfs/dbraw/zinc/09/81/16/338098116.db2.gz WHECJGWKAOEDES-UHFFFAOYSA-N 1 0 324.380 4.674 20 5 DJBDRO CC1(C)C[C@H]([NH2+]C2(c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433244877 338187824 /nfs/dbraw/zinc/18/78/24/338187824.db2.gz ZAGZGWWRJTUWIT-SFHVURJKSA-N 1 0 322.408 4.596 20 5 DJBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000434689390 338223425 /nfs/dbraw/zinc/22/34/25/338223425.db2.gz VYRFGVXJMFLYME-DOMZBBRYSA-N 1 0 302.399 4.554 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000437098961 338300736 /nfs/dbraw/zinc/30/07/36/338300736.db2.gz YAZXBMRTBWPASX-AAEUAGOBSA-N 1 0 318.339 4.531 20 5 DJBDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000440614966 338392473 /nfs/dbraw/zinc/39/24/73/338392473.db2.gz BIVYROLSAFDUDA-STQMWFEESA-N 1 0 316.426 4.729 20 5 DJBDRO CSc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000440620549 338392813 /nfs/dbraw/zinc/39/28/13/338392813.db2.gz ZUYKPPBBILAJIE-STQMWFEESA-N 1 0 316.426 4.729 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000453154122 338800333 /nfs/dbraw/zinc/80/03/33/338800333.db2.gz RFGCUWRGLXFMKD-DOMZBBRYSA-N 1 0 304.415 4.767 20 5 DJBDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000195548119 338904581 /nfs/dbraw/zinc/90/45/81/338904581.db2.gz LQSYDPJUAOTBRC-RTBURBONSA-N 1 0 310.397 4.713 20 5 DJBDRO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000467863678 339248034 /nfs/dbraw/zinc/24/80/34/339248034.db2.gz MAIQEBKHUUHRIY-HNAYVOBHSA-N 1 0 312.413 4.951 20 5 DJBDRO CCSc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000472036880 339359948 /nfs/dbraw/zinc/35/99/48/339359948.db2.gz FEFNLOSXMBGQNT-CYBMUJFWSA-N 1 0 316.426 4.558 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000479766603 339548077 /nfs/dbraw/zinc/54/80/77/339548077.db2.gz QEDHCRBSICNNRK-QWHCGFSZSA-N 1 0 318.804 4.968 20 5 DJBDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000482448962 339631951 /nfs/dbraw/zinc/63/19/51/339631951.db2.gz GXYLFTAHJIBTRK-LIRRHRJNSA-N 1 0 310.397 4.787 20 5 DJBDRO Cc1c2ccccc2oc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000483115297 339652228 /nfs/dbraw/zinc/65/22/28/339652228.db2.gz FCZASWMYDKZJTK-AWEZNQCLSA-N 1 0 324.380 4.809 20 5 DJBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)oc1C ZINC000502467976 340104852 /nfs/dbraw/zinc/10/48/52/340104852.db2.gz ZSSGLBRALSPPTC-CHWSQXEVSA-N 1 0 302.374 4.525 20 5 DJBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000506711587 340200062 /nfs/dbraw/zinc/20/00/62/340200062.db2.gz RPIWHEIKYLCJSR-ZDUSSCGKSA-N 1 0 310.353 4.534 20 5 DJBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537941190 340792037 /nfs/dbraw/zinc/79/20/37/340792037.db2.gz KRBGUPVJONHBIH-KBXCAEBGSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000124888948 340801295 /nfs/dbraw/zinc/80/12/95/340801295.db2.gz LQYFDMCECOWTBS-CHWSQXEVSA-N 1 0 302.374 4.525 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000540221439 340924074 /nfs/dbraw/zinc/92/40/74/340924074.db2.gz GKSTUYZBZWREHF-GJZGRUSLSA-N 1 0 324.424 4.804 20 5 DJBDRO Cc1ccccc1[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000540360796 340928455 /nfs/dbraw/zinc/92/84/55/340928455.db2.gz BYOYVHVSTAITLL-LJQANCHMSA-N 1 0 312.413 4.699 20 5 DJBDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000541846874 340985542 /nfs/dbraw/zinc/98/55/42/340985542.db2.gz DXUSZBBZJDREQW-NJSLBKSFSA-N 1 0 310.397 4.569 20 5 DJBDRO Cc1c(C[NH2+][C@H](CC(C)C)c2cccs2)cccc1[N+](=O)[O-] ZINC000543486426 341047075 /nfs/dbraw/zinc/04/70/75/341047075.db2.gz ICKUPENMHAZJMJ-OAHLLOKOSA-N 1 0 318.442 4.842 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000546639732 341176766 /nfs/dbraw/zinc/17/67/66/341176766.db2.gz LMCMISXABSAFTG-INIZCTEOSA-N 1 0 322.767 4.628 20 5 DJBDRO Cc1oc2ccccc2c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000546649343 341177114 /nfs/dbraw/zinc/17/71/14/341177114.db2.gz MQLCDPLOLMFNKQ-ZDUSSCGKSA-N 1 0 324.380 4.809 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCc3sccc32)cccc1[N+](=O)[O-] ZINC000134966818 341227465 /nfs/dbraw/zinc/22/74/65/341227465.db2.gz VNGPUUBHLOPDJQ-WFASDCNBSA-N 1 0 316.426 4.693 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000550620376 341319592 /nfs/dbraw/zinc/31/95/92/341319592.db2.gz ZWQWLNIWSXNHNG-KGLIPLIRSA-N 1 0 310.397 4.884 20 5 DJBDRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000556230910 341498343 /nfs/dbraw/zinc/49/83/43/341498343.db2.gz QTTJMPJJOGGTAU-VXGBXAGGSA-N 1 0 322.405 4.722 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cc2ccccc2o1 ZINC000577886682 341946549 /nfs/dbraw/zinc/94/65/49/341946549.db2.gz RRFLRSBZPQAMGS-MLGOLLRUSA-N 1 0 322.364 4.679 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000019995573 182175630 /nfs/dbraw/zinc/17/56/30/182175630.db2.gz QRMVPIIJCUGLII-NEPJUHHUSA-N 1 0 304.777 4.660 20 5 DJBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000525868735 335071176 /nfs/dbraw/zinc/07/11/76/335071176.db2.gz BXUDNHQIGKDXIY-GUYCJALGSA-N 1 0 316.376 4.844 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000525868733 335071212 /nfs/dbraw/zinc/07/12/12/335071212.db2.gz BXUDNHQIGKDXIY-CXAGYDPISA-N 1 0 316.376 4.844 20 5 DJBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000409468776 332033765 /nfs/dbraw/zinc/03/37/65/332033765.db2.gz DJMGSIZKDXMCDX-LJQANCHMSA-N 1 0 324.424 4.885 20 5 DJBDRO CC(C)[N@H+](C/C=C\c1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000518565193 332081250 /nfs/dbraw/zinc/08/12/50/332081250.db2.gz JFEHGPJPFFSHNW-TWGQIWQCSA-N 1 0 310.397 4.519 20 5 DJBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000518578098 332083674 /nfs/dbraw/zinc/08/36/74/332083674.db2.gz QEGYEUXNSMAPRV-AWEZNQCLSA-N 1 0 324.380 4.924 20 5 DJBDRO C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649598 333017457 /nfs/dbraw/zinc/01/74/57/333017457.db2.gz NSGGEJBZIHCZFR-GTNSWQLSSA-N 1 0 316.788 4.586 20 5 DJBDRO Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000378893006 333060684 /nfs/dbraw/zinc/06/06/84/333060684.db2.gz MHDONTIEBDGQCN-SFHVURJKSA-N 1 0 316.376 4.529 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000184365716 333356654 /nfs/dbraw/zinc/35/66/54/333356654.db2.gz PAWIRIJDFLDCQS-GFCCVEGCSA-N 1 0 312.394 4.660 20 5 DJBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000319770422 333403520 /nfs/dbraw/zinc/40/35/20/333403520.db2.gz XEOIGLRCYHPCOU-ACJLOTCBSA-N 1 0 316.376 4.782 20 5 DJBDRO CC(C)(C)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000320096871 333424813 /nfs/dbraw/zinc/42/48/13/333424813.db2.gz VMBFGWHWOFIPMG-SFHVURJKSA-N 1 0 312.413 4.862 20 5 DJBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000531943717 334299846 /nfs/dbraw/zinc/29/98/46/334299846.db2.gz IDKYCIJQCYMOMZ-CHWSQXEVSA-N 1 0 318.442 4.993 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1cscc1C)c1cccc([N+](=O)[O-])c1 ZINC000094877592 335757895 /nfs/dbraw/zinc/75/78/95/335757895.db2.gz OCYODCOXWZGPCN-MRXNPFEDSA-N 1 0 304.415 4.596 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccc(C2CCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000519691857 335889616 /nfs/dbraw/zinc/88/96/16/335889616.db2.gz HAASHVXYBFXBLV-CQSZACIVSA-N 1 0 310.397 4.713 20 5 DJBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000582735119 337127700 /nfs/dbraw/zinc/12/77/00/337127700.db2.gz CUQKMOBMGQNZAZ-ZBEGNZNMSA-N 1 0 316.788 4.586 20 5 DJBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1F ZINC000536807219 337394757 /nfs/dbraw/zinc/39/47/57/337394757.db2.gz RQOZZYHECDKSNL-KBPBESRZSA-N 1 0 316.376 4.763 20 5 DJBDRO CSc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000315381508 337985893 /nfs/dbraw/zinc/98/58/93/337985893.db2.gz DLPMSQMQAHNZJF-QWHCGFSZSA-N 1 0 316.426 4.729 20 5 DJBDRO CSc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000440614962 338392493 /nfs/dbraw/zinc/39/24/93/338392493.db2.gz BIVYROLSAFDUDA-OLZOCXBDSA-N 1 0 316.426 4.729 20 5 DJBDRO Cc1c(C[NH2+][C@@H]2CC[C@H](C)c3ccsc32)cccc1[N+](=O)[O-] ZINC000453209499 338808264 /nfs/dbraw/zinc/80/82/64/338808264.db2.gz LLNMPEUCXMGPHZ-XHDPSFHLSA-N 1 0 316.426 4.693 20 5 DJBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000466893132 339220286 /nfs/dbraw/zinc/22/02/86/339220286.db2.gz BQLZDDFOPRYHKB-PIZKADEWSA-N 1 0 322.364 4.705 20 5 DJBDRO CC[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467453276 339239587 /nfs/dbraw/zinc/23/95/87/339239587.db2.gz FLNVLZMEFYDJPI-FAFZWHIHSA-N 1 0 310.397 4.582 20 5 DJBDRO CC[C@H]([NH2+]C1CC(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467453277 339239629 /nfs/dbraw/zinc/23/96/29/339239629.db2.gz FLNVLZMEFYDJPI-TVPLGVNVSA-N 1 0 310.397 4.582 20 5 DJBDRO Cc1cc2[nH]c(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])cc2c(C)c1 ZINC000479416885 339533912 /nfs/dbraw/zinc/53/39/12/339533912.db2.gz BKXWCKHFJCDQAY-CQSZACIVSA-N 1 0 323.396 4.544 20 5 DJBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000480464061 339573755 /nfs/dbraw/zinc/57/37/55/339573755.db2.gz BFAPEYZEQVUFCV-AWEZNQCLSA-N 1 0 324.380 4.809 20 5 DJBDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000482159384 339625074 /nfs/dbraw/zinc/62/50/74/339625074.db2.gz OTULITJGCDVRLZ-LJQANCHMSA-N 1 0 312.413 4.699 20 5 DJBDRO CC[C@@H]([NH2+]Cc1oc2ccccc2c1C)c1cccc([N+](=O)[O-])c1 ZINC000483129672 339653123 /nfs/dbraw/zinc/65/31/23/339653123.db2.gz UAEWOQCGCOKYEH-QGZVFWFLSA-N 1 0 324.380 4.890 20 5 DJBDRO CC[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000485692714 339709664 /nfs/dbraw/zinc/70/96/64/339709664.db2.gz HQZYRNLRHXGAFT-MRXNPFEDSA-N 1 0 322.767 4.628 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000487947920 339766606 /nfs/dbraw/zinc/76/66/06/339766606.db2.gz NJDZENKIXOEGSK-CHWSQXEVSA-N 1 0 318.804 4.968 20 5 DJBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000488005228 339768191 /nfs/dbraw/zinc/76/81/91/339768191.db2.gz IQROXICVPKTBQN-LIRRHRJNSA-N 1 0 310.397 4.631 20 5 DJBDRO C[C@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1ccccc1[N+](=O)[O-] ZINC000506217085 340188956 /nfs/dbraw/zinc/18/89/56/340188956.db2.gz IBYYOJTVOOMVGV-ZBEGNZNMSA-N 1 0 316.788 4.586 20 5 DJBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000302614603 340277664 /nfs/dbraw/zinc/27/76/64/340277664.db2.gz VSWOIKMDLDMZJR-OAHLLOKOSA-N 1 0 312.413 4.877 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000037177050 340769364 /nfs/dbraw/zinc/76/93/64/340769364.db2.gz WSBPRKZWXZAGQP-VXGBXAGGSA-N 1 0 304.777 4.660 20 5 DJBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc(C)c1F ZINC000538198238 340812928 /nfs/dbraw/zinc/81/29/28/340812928.db2.gz OWYVAEMMKWSLKB-KGLIPLIRSA-N 1 0 316.376 4.763 20 5 DJBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2cccs2)c(Cl)c1 ZINC000542923405 341026404 /nfs/dbraw/zinc/02/64/04/341026404.db2.gz FFEIMFHBWJTFLR-CQSZACIVSA-N 1 0 322.817 4.647 20 5 DJBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000071307617 341028751 /nfs/dbraw/zinc/02/87/51/341028751.db2.gz YCVHCLBOGSKXPO-CYBMUJFWSA-N 1 0 310.806 4.551 20 5 DJBDRO CCC[C@H]([NH2+]Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000071307603 341028774 /nfs/dbraw/zinc/02/87/74/341028774.db2.gz CSEYKKPQLWTVNI-AWEZNQCLSA-N 1 0 324.833 4.941 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000071307615 341028802 /nfs/dbraw/zinc/02/88/02/341028802.db2.gz YCVHCLBOGSKXPO-ZDUSSCGKSA-N 1 0 310.806 4.551 20 5 DJBDRO CC(C)([NH2+]Cc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000545872612 341143691 /nfs/dbraw/zinc/14/36/91/341143691.db2.gz KQENVWJRZYZQCJ-UHFFFAOYSA-N 1 0 320.392 4.773 20 5 DJBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000546639733 341176839 /nfs/dbraw/zinc/17/68/39/341176839.db2.gz LMCMISXABSAFTG-MRXNPFEDSA-N 1 0 322.767 4.628 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000133777087 341186706 /nfs/dbraw/zinc/18/67/06/341186706.db2.gz VPAFMJWWHJZKME-ZDUSSCGKSA-N 1 0 310.353 4.500 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3sccc32)cccc1[N+](=O)[O-] ZINC000134966755 341227463 /nfs/dbraw/zinc/22/74/63/341227463.db2.gz VNGPUUBHLOPDJQ-IUODEOHRSA-N 1 0 316.426 4.693 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1cccc([N+](=O)[O-])c1 ZINC000246404111 341347512 /nfs/dbraw/zinc/34/75/12/341347512.db2.gz GFHXVOJHUWZQIO-DQYPLSBCSA-N 1 0 314.385 4.552 20 5 DJBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c2ccccc21 ZINC000556064967 341493331 /nfs/dbraw/zinc/49/33/31/341493331.db2.gz TWQBNLPWKWAHQH-ZDUSSCGKSA-N 1 0 324.355 4.738 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000153560617 341574834 /nfs/dbraw/zinc/57/48/34/341574834.db2.gz VEOCAUKIEWFMQJ-NEPJUHHUSA-N 1 0 320.339 4.593 20 5 DJBDRO C[C@H]([NH2+]Cc1ccc2sccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000577564344 341918112 /nfs/dbraw/zinc/91/81/12/341918112.db2.gz AZJCMZURLZRKFB-LBPRGKRZSA-N 1 0 312.394 4.660 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000178494420 341956177 /nfs/dbraw/zinc/95/61/77/341956177.db2.gz SRDOMZRAJYDHLR-AUUYWEPGSA-N 1 0 310.397 4.705 20 5 DJBDRO CC[C@@H]([NH2+][C@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000102196716 522948282 /nfs/dbraw/zinc/94/82/82/522948282.db2.gz HSTAMSJLYNSWDV-CVEARBPZSA-N 1 0 316.426 4.775 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000275785064 130386319 /nfs/dbraw/zinc/38/63/19/130386319.db2.gz WLTSXWPZBZPJIW-GFCCVEGCSA-N 1 0 320.339 4.692 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090068528 331977977 /nfs/dbraw/zinc/97/79/77/331977977.db2.gz ZBRPMFIORQWJOU-PXAZEXFGSA-N 1 0 302.349 4.536 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090068511 331978055 /nfs/dbraw/zinc/97/80/55/331978055.db2.gz RBPZKHCORDYKBT-PXAZEXFGSA-N 1 0 302.349 4.536 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000314053465 333084772 /nfs/dbraw/zinc/08/47/72/333084772.db2.gz PJMPZZKPFHUGMQ-QWHCGFSZSA-N 1 0 318.804 4.968 20 5 DJBDRO Cc1ccc(C[NH2+][C@@H](CC(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000390376836 333274362 /nfs/dbraw/zinc/27/43/62/333274362.db2.gz SXKIIRUYFJMLQI-SFHVURJKSA-N 1 0 312.413 4.780 20 5 DJBDRO CCC[C@@H]([NH2+][C@@H]1CCCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC000120788184 333307625 /nfs/dbraw/zinc/30/76/25/333307625.db2.gz DCOKRVOFEUHVIG-IAGOWNOFSA-N 1 0 314.385 4.696 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000020526139 333319768 /nfs/dbraw/zinc/31/97/68/333319768.db2.gz KSKWSUFMOWZJFS-RYUDHWBXSA-N 1 0 304.777 4.660 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000020526160 333319811 /nfs/dbraw/zinc/31/98/11/333319811.db2.gz BKHMTUINNGNSGO-NEPJUHHUSA-N 1 0 304.777 4.660 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000020545598 333321745 /nfs/dbraw/zinc/32/17/45/333321745.db2.gz KRNGZNCKUMEFER-RYUDHWBXSA-N 1 0 304.777 4.660 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000531205108 333330659 /nfs/dbraw/zinc/33/06/59/333330659.db2.gz WRUIZTWMXOJKTK-DYVFJYSZSA-N 1 0 316.376 4.844 20 5 DJBDRO Cc1ccc([C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000531688618 333545096 /nfs/dbraw/zinc/54/50/96/333545096.db2.gz RGMBLIBQOFPJMP-IFXJQAMLSA-N 1 0 310.397 4.705 20 5 DJBDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000531711630 333549309 /nfs/dbraw/zinc/54/93/09/333549309.db2.gz KIOIOLHVMCBYJM-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000531713029 333549405 /nfs/dbraw/zinc/54/94/05/333549405.db2.gz YHVBFPYCLCOKTP-BXUZGUMPSA-N 1 0 318.442 4.555 20 5 DJBDRO Cc1ccccc1[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000531717385 333550336 /nfs/dbraw/zinc/55/03/36/333550336.db2.gz QUYKPWHFMZHZOX-AUUYWEPGSA-N 1 0 310.397 4.705 20 5 DJBDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000531960960 334316940 /nfs/dbraw/zinc/31/69/40/334316940.db2.gz JYSBCQMFMQLZFB-IFXJQAMLSA-N 1 0 310.397 4.787 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000049159411 334322870 /nfs/dbraw/zinc/32/28/70/334322870.db2.gz XUSDCNJCJHBXAD-IUODEOHRSA-N 1 0 304.415 4.767 20 5 DJBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000049159396 334323043 /nfs/dbraw/zinc/32/30/43/334323043.db2.gz XUSDCNJCJHBXAD-WFASDCNBSA-N 1 0 304.415 4.767 20 5 DJBDRO CSc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000192756318 336260516 /nfs/dbraw/zinc/26/05/16/336260516.db2.gz DJIBSZJAHXBMOK-CHWSQXEVSA-N 1 0 316.426 4.729 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000192796402 336262227 /nfs/dbraw/zinc/26/22/27/336262227.db2.gz ZJRDIPLTXMBNQA-AUUYWEPGSA-N 1 0 310.397 4.705 20 5 DJBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000192836180 336265384 /nfs/dbraw/zinc/26/53/84/336265384.db2.gz WHSFWZSRSFGCMG-QGZVFWFLSA-N 1 0 316.426 4.677 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000193024508 336287196 /nfs/dbraw/zinc/28/71/96/336287196.db2.gz RBPZKHCORDYKBT-YVEFUNNKSA-N 1 0 302.349 4.536 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000321698766 337284260 /nfs/dbraw/zinc/28/42/60/337284260.db2.gz ZQXMBMWHRFSAAE-JKSUJKDBSA-N 1 0 312.413 4.932 20 5 DJBDRO C[C@@H]([NH2+][C@@H](CC(F)F)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000421877905 337658208 /nfs/dbraw/zinc/65/82/08/337658208.db2.gz MPNFRWHHWOKZSX-WBMJQRKESA-N 1 0 320.339 4.642 20 5 DJBDRO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000536911380 337847761 /nfs/dbraw/zinc/84/77/61/337847761.db2.gz VDOXPSDTLXNVSO-OLZOCXBDSA-N 1 0 318.442 4.939 20 5 DJBDRO CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000537490503 337938119 /nfs/dbraw/zinc/93/81/19/337938119.db2.gz ABZAREUDJNGTTB-UHFFFAOYSA-N 1 0 320.776 4.540 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433149357 338183043 /nfs/dbraw/zinc/18/30/43/338183043.db2.gz ISLOWJWATIUGKT-SCLBCKFNSA-N 1 0 310.397 4.668 20 5 DJBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000435780578 338248885 /nfs/dbraw/zinc/24/88/85/338248885.db2.gz WQGMPECMNMEBBD-UGOAVVKXSA-N 1 0 322.408 4.534 20 5 DJBDRO CC[C@@H]([NH2+][C@H](CC(F)(F)F)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000437071806 338299246 /nfs/dbraw/zinc/29/92/46/338299246.db2.gz AOUNGXRXMKPFCJ-ZIAGYGMSSA-N 1 0 318.339 4.613 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000437092445 338300438 /nfs/dbraw/zinc/30/04/38/338300438.db2.gz MCMNNGTTXSAMRG-YPMHNXCESA-N 1 0 318.339 4.531 20 5 DJBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)CCC2 ZINC000447533162 338554686 /nfs/dbraw/zinc/55/46/86/338554686.db2.gz ZJDBCXZGGXAZEQ-VQTJNVASSA-N 1 0 322.408 4.713 20 5 DJBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C3CC3)cc1)CCC2 ZINC000447596873 338561084 /nfs/dbraw/zinc/56/10/84/338561084.db2.gz DQOYUWRXNPSRFJ-HXUWFJFHSA-N 1 0 322.408 4.639 20 5 DJBDRO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000195613687 338910126 /nfs/dbraw/zinc/91/01/26/338910126.db2.gz NRWBZGPLUYVICE-LSDHHAIUSA-N 1 0 312.413 4.877 20 5 DJBDRO CC[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000195614327 338910221 /nfs/dbraw/zinc/91/02/21/338910221.db2.gz WNTYHWOGRVJMSH-RBUKOAKNSA-N 1 0 310.397 4.787 20 5 DJBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(c2ccccc2)C1 ZINC000466415906 339203426 /nfs/dbraw/zinc/20/34/26/339203426.db2.gz WQGMPECMNMEBBD-XNTDXEJSSA-N 1 0 322.408 4.534 20 5 DJBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000470176650 339312934 /nfs/dbraw/zinc/31/29/34/339312934.db2.gz XRJGWFYNMRGVOG-QLKUMGTLSA-N 1 0 316.426 4.753 20 5 DJBDRO Cc1cc2[nH]c(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])cc2c(C)c1 ZINC000479416882 339534013 /nfs/dbraw/zinc/53/40/13/339534013.db2.gz BKXWCKHFJCDQAY-AWEZNQCLSA-N 1 0 323.396 4.544 20 5 DJBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)c2cccs2)cccc1[N+](=O)[O-] ZINC000483130763 339653319 /nfs/dbraw/zinc/65/33/19/339653319.db2.gz XZNYQCMPPHRABE-CYBMUJFWSA-N 1 0 318.442 4.593 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000485799933 339713022 /nfs/dbraw/zinc/71/30/22/339713022.db2.gz KKIHFMNSRDBPSH-KXBFYZLASA-N 1 0 312.413 4.951 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1F ZINC000494020881 339939182 /nfs/dbraw/zinc/93/91/82/339939182.db2.gz PQXJEUVHHJTOJV-CXAGYDPISA-N 1 0 316.376 4.844 20 5 DJBDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000504900158 340155221 /nfs/dbraw/zinc/15/52/21/340155221.db2.gz SAQYCBRCIPNFSF-HBUWYVDXSA-N 1 0 310.397 4.802 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccccc1[N+](=O)[O-] ZINC000506217082 340188962 /nfs/dbraw/zinc/18/89/62/340188962.db2.gz IBYYOJTVOOMVGV-BDJLRTHQSA-N 1 0 316.788 4.586 20 5 DJBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000506276758 340190730 /nfs/dbraw/zinc/19/07/30/340190730.db2.gz FCVPLIYRFHINJB-ZDUSSCGKSA-N 1 0 314.385 4.523 20 5 DJBDRO CCC(CC)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000507914472 340235784 /nfs/dbraw/zinc/23/57/84/340235784.db2.gz OWZZOHVONLCHQS-QGZVFWFLSA-N 1 0 318.442 4.923 20 5 DJBDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000538205282 340813173 /nfs/dbraw/zinc/81/31/73/340813173.db2.gz WJPQPRRYKAUTFL-CYBMUJFWSA-N 1 0 318.804 4.716 20 5 DJBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000540221221 340924047 /nfs/dbraw/zinc/92/40/47/340924047.db2.gz VAQFWAFWVRKFIP-RDTXWAMCSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000544897201 341098287 /nfs/dbraw/zinc/09/82/87/341098287.db2.gz BKKYKTKXBLWCBV-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(-c3ccccc3)cs2)cc1 ZINC000077290354 341222474 /nfs/dbraw/zinc/22/24/74/341222474.db2.gz WUOGUELHQAOSDK-UHFFFAOYSA-N 1 0 324.405 4.613 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c2ccccc21 ZINC000551063137 341330757 /nfs/dbraw/zinc/33/07/57/341330757.db2.gz KWVDTICFMWOFOF-CYBMUJFWSA-N 1 0 324.355 4.738 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000551103590 341331809 /nfs/dbraw/zinc/33/18/09/341331809.db2.gz LYWYVEOVJALHTL-ZIAGYGMSSA-N 1 0 310.397 4.884 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649579 341960917 /nfs/dbraw/zinc/96/09/17/341960917.db2.gz NSGGEJBZIHCZFR-PIGZYNQJSA-N 1 0 316.788 4.586 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1csc(Cl)c1 ZINC000297288822 132007866 /nfs/dbraw/zinc/00/78/66/132007866.db2.gz LSLVADASFIQLTK-VHSXEESVSA-N 1 0 310.806 4.722 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000525868716 335066736 /nfs/dbraw/zinc/06/67/36/335066736.db2.gz YLIIKBBZBRIBAQ-JCGIZDLHSA-N 1 0 310.397 4.582 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000525868736 335071064 /nfs/dbraw/zinc/07/10/64/335071064.db2.gz BXUDNHQIGKDXIY-SUMWQHHRSA-N 1 0 316.376 4.844 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000173361354 332828021 /nfs/dbraw/zinc/82/80/21/332828021.db2.gz LNDVCBZJMVVSFO-APPDUMDISA-N 1 0 316.788 4.586 20 5 DJBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1Cl ZINC000517959832 331980556 /nfs/dbraw/zinc/98/05/56/331980556.db2.gz HHUBNMWLYNSTQA-BZNIZROVSA-N 1 0 316.788 4.586 20 5 DJBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000409668694 332043410 /nfs/dbraw/zinc/04/34/10/332043410.db2.gz RDAHZFVJLVEWNO-OAHLLOKOSA-N 1 0 312.413 4.877 20 5 DJBDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000560910575 332394308 /nfs/dbraw/zinc/39/43/08/332394308.db2.gz UQMDSBAOHZHZCH-CKFHNAJUSA-N 1 0 310.397 4.569 20 5 DJBDRO Cc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CCC2)cc1 ZINC000427718346 332498582 /nfs/dbraw/zinc/49/85/82/332498582.db2.gz LZDGURMHZVMQOO-IBGZPJMESA-N 1 0 310.397 4.534 20 5 DJBDRO CC(C)[C@@H](c1ccccc1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000497448130 333252016 /nfs/dbraw/zinc/25/20/16/333252016.db2.gz XWYZXZWGSHHLKR-SFHVURJKSA-N 1 0 316.376 4.563 20 5 DJBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000186842525 333379621 /nfs/dbraw/zinc/37/96/21/333379621.db2.gz AXVMSVIXLWDSJS-SJCJKPOMSA-N 1 0 302.349 4.536 20 5 DJBDRO Cc1ccc([C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000390962621 333411655 /nfs/dbraw/zinc/41/16/55/333411655.db2.gz LIAOCCMNOGMDQS-AUUYWEPGSA-N 1 0 310.397 4.705 20 5 DJBDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000531717388 333550374 /nfs/dbraw/zinc/55/03/74/333550374.db2.gz QUYKPWHFMZHZOX-LIRRHRJNSA-N 1 0 310.397 4.705 20 5 DJBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000531943720 334299871 /nfs/dbraw/zinc/29/98/71/334299871.db2.gz IDKYCIJQCYMOMZ-STQMWFEESA-N 1 0 318.442 4.993 20 5 DJBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000049529260 334345345 /nfs/dbraw/zinc/34/53/45/334345345.db2.gz UJFHJSOWYVDRCK-JSGCOSHPSA-N 1 0 304.415 4.767 20 5 DJBDRO Cc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000049963660 334359633 /nfs/dbraw/zinc/35/96/33/334359633.db2.gz CGUOPVIQOKEWSS-JTQLQIEISA-N 1 0 324.833 4.777 20 5 DJBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000050443829 334713315 /nfs/dbraw/zinc/71/33/15/334713315.db2.gz KAZITNIIUKVELR-GFCCVEGCSA-N 1 0 310.806 4.551 20 5 DJBDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCCC2)cc1[N+](=O)[O-] ZINC000520216989 335937515 /nfs/dbraw/zinc/93/75/15/335937515.db2.gz BDBIPIJDXHOGOV-HXUWFJFHSA-N 1 0 324.424 4.924 20 5 DJBDRO C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000526112981 336165502 /nfs/dbraw/zinc/16/55/02/336165502.db2.gz QRAITTUTDJPOPC-UAGQMJEPSA-N 1 0 310.397 4.582 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000324806797 336259108 /nfs/dbraw/zinc/25/91/08/336259108.db2.gz BTODHFZLWXXGJR-CABCVRRESA-N 1 0 324.424 4.885 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000193024529 336287096 /nfs/dbraw/zinc/28/70/96/336287096.db2.gz RBPZKHCORDYKBT-SJKOYZFVSA-N 1 0 302.349 4.536 20 5 DJBDRO Cc1c(C[NH2+][C@@H](CCC(C)C)c2ccoc2)cccc1[N+](=O)[O-] ZINC000353690976 336435105 /nfs/dbraw/zinc/43/51/05/336435105.db2.gz SMJQCHVJRGHZOC-KRWDZBQOSA-N 1 0 316.401 4.763 20 5 DJBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1F ZINC000536807227 337394789 /nfs/dbraw/zinc/39/47/89/337394789.db2.gz RQOZZYHECDKSNL-UONOGXRCSA-N 1 0 316.376 4.763 20 5 DJBDRO C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424323812 337821057 /nfs/dbraw/zinc/82/10/57/337821057.db2.gz MMGITSILKPNCPY-ZBEGNZNMSA-N 1 0 314.410 4.526 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000120383659 337874879 /nfs/dbraw/zinc/87/48/79/337874879.db2.gz XIXSJSBINOLDHH-LIRRHRJNSA-N 1 0 310.397 4.705 20 5 DJBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433149353 338183106 /nfs/dbraw/zinc/18/31/06/338183106.db2.gz ISLOWJWATIUGKT-ACJLOTCBSA-N 1 0 310.397 4.668 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000436292211 338266678 /nfs/dbraw/zinc/26/66/78/338266678.db2.gz MPLQOIFUPCNGOW-ZTFGCOKTSA-N 1 0 310.397 4.500 20 5 DJBDRO Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000467405886 339236848 /nfs/dbraw/zinc/23/68/48/339236848.db2.gz IGNDJVAXKMIYMT-XIRDDKMYSA-N 1 0 310.397 4.500 20 5 DJBDRO Cc1oc2ccccc2c1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000468019324 339251286 /nfs/dbraw/zinc/25/12/86/339251286.db2.gz GRQBMOOQZXDUNU-ZDUSSCGKSA-N 1 0 324.380 4.809 20 5 DJBDRO CCSc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000472036881 339360002 /nfs/dbraw/zinc/36/00/02/339360002.db2.gz FEFNLOSXMBGQNT-ZDUSSCGKSA-N 1 0 316.426 4.558 20 5 DJBDRO Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc2c1C ZINC000472053609 339361113 /nfs/dbraw/zinc/36/11/13/339361113.db2.gz IITABLFKVULRDI-AWEZNQCLSA-N 1 0 323.396 4.544 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479254706 339529989 /nfs/dbraw/zinc/52/99/89/339529989.db2.gz WEMLWZZRLYOGRC-APPDUMDISA-N 1 0 316.788 4.586 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000479869085 339551598 /nfs/dbraw/zinc/55/15/98/339551598.db2.gz VTCCCIAQTZXRRX-CHWSQXEVSA-N 1 0 318.804 4.968 20 5 DJBDRO CC[C@H]([NH2+][C@H](c1cccs1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000480238163 339564630 /nfs/dbraw/zinc/56/46/30/339564630.db2.gz ASJVMWZJCMGWLD-RDJZCZTQSA-N 1 0 316.426 4.848 20 5 DJBDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000482448961 339631824 /nfs/dbraw/zinc/63/18/24/339631824.db2.gz GXYLFTAHJIBTRK-KUHUBIRLSA-N 1 0 310.397 4.787 20 5 DJBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccsc2)CC1 ZINC000486009981 339718382 /nfs/dbraw/zinc/71/83/82/339718382.db2.gz VWJZIZBDNQOUQF-ZDUSSCGKSA-N 1 0 316.426 4.597 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000487920538 339765955 /nfs/dbraw/zinc/76/59/55/339765955.db2.gz UZKJXDARAUGKQJ-CHWSQXEVSA-N 1 0 318.804 4.968 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000495433901 339984323 /nfs/dbraw/zinc/98/43/23/339984323.db2.gz PVYAIHMFTVAORK-NSHDSACASA-N 1 0 324.833 4.511 20 5 DJBDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)oc1C ZINC000502467977 340104922 /nfs/dbraw/zinc/10/49/22/340104922.db2.gz ZSSGLBRALSPPTC-OLZOCXBDSA-N 1 0 302.374 4.525 20 5 DJBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000506276687 340190803 /nfs/dbraw/zinc/19/08/03/340190803.db2.gz DHLCRCAYPWTMCJ-CYBMUJFWSA-N 1 0 314.385 4.523 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3occc3c2)cc1[N+](=O)[O-] ZINC000512044714 340346562 /nfs/dbraw/zinc/34/65/62/340346562.db2.gz HIECLJQIELFWPN-ZDUSSCGKSA-N 1 0 310.353 4.500 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000219863701 340510695 /nfs/dbraw/zinc/51/06/95/340510695.db2.gz QQJBKTFDFCWNPS-CHWSQXEVSA-N 1 0 318.804 4.968 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000219866884 340510857 /nfs/dbraw/zinc/51/08/57/340510857.db2.gz QXKCNWDTWKAPSO-KDOFPFPSSA-N 1 0 310.397 4.631 20 5 DJBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cc3ccccc3o1)CCC2 ZINC000192718538 340569086 /nfs/dbraw/zinc/56/90/86/340569086.db2.gz PGADOWHEDPFNPJ-GOSISDBHSA-N 1 0 322.364 4.508 20 5 DJBDRO CCC(C)(CC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000522534429 340603414 /nfs/dbraw/zinc/60/34/14/340603414.db2.gz IVUIQEWWLHNDCP-UHFFFAOYSA-N 1 0 302.374 4.523 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000302925626 340631548 /nfs/dbraw/zinc/63/15/48/340631548.db2.gz CPMOCFTZNWOKHY-HNNXBMFYSA-N 1 0 312.413 4.877 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000037177049 340769339 /nfs/dbraw/zinc/76/93/39/340769339.db2.gz WSBPRKZWXZAGQP-NWDGAFQWSA-N 1 0 304.777 4.660 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1ccc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000071307605 341028726 /nfs/dbraw/zinc/02/87/26/341028726.db2.gz CSEYKKPQLWTVNI-CQSZACIVSA-N 1 0 324.833 4.941 20 5 DJBDRO Cc1c(C[NH2+][C@@H](CC(C)C)c2cccs2)cccc1[N+](=O)[O-] ZINC000543486420 341047056 /nfs/dbraw/zinc/04/70/56/341047056.db2.gz ICKUPENMHAZJMJ-HNNXBMFYSA-N 1 0 318.442 4.842 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C(C)(C)c1cccs1 ZINC000543501133 341047684 /nfs/dbraw/zinc/04/76/84/341047684.db2.gz FMADCFLAKHEEKU-GFCCVEGCSA-N 1 0 304.415 4.551 20 5 DJBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)c(Cl)c1 ZINC000544349643 341077459 /nfs/dbraw/zinc/07/74/59/341077459.db2.gz IOORNSKQLKOWAJ-OAHLLOKOSA-N 1 0 322.817 4.551 20 5 DJBDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000545518778 341128257 /nfs/dbraw/zinc/12/82/57/341128257.db2.gz WIZAMTYCVJCLAC-ZDUSSCGKSA-N 1 0 318.804 4.716 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1c(C)cccc1C ZINC000546223830 341157677 /nfs/dbraw/zinc/15/76/77/341157677.db2.gz KRMBQUNRFCEYSR-HOTGVXAUSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1c(C)cccc1C ZINC000546224112 341157704 /nfs/dbraw/zinc/15/77/04/341157704.db2.gz KRMBQUNRFCEYSR-HZPDHXFCSA-N 1 0 312.413 4.932 20 5 DJBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)c(Cl)c1 ZINC000237814322 341221246 /nfs/dbraw/zinc/22/12/46/341221246.db2.gz JKBXEAAFZMYSOB-UHFFFAOYSA-N 1 0 320.776 4.540 20 5 DJBDRO Cc1ccc([C@H](C)N[C@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000078968606 341250712 /nfs/dbraw/zinc/25/07/12/341250712.db2.gz LORSCBFNXIDBTM-NWDGAFQWSA-N 1 0 320.339 4.593 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000079723745 341264584 /nfs/dbraw/zinc/26/45/84/341264584.db2.gz XMDOEPDYJWKGCB-SJKOYZFVSA-N 1 0 302.349 4.536 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000079723969 341264612 /nfs/dbraw/zinc/26/46/12/341264612.db2.gz XWNOUPUPUHXJIZ-GHMZBOCLSA-N 1 0 322.767 4.799 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000552905519 341408349 /nfs/dbraw/zinc/40/83/49/341408349.db2.gz HFTAUVAMFXROLV-SUNYJGFJSA-N 1 0 310.397 4.802 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000090078074 341413217 /nfs/dbraw/zinc/41/32/17/341413217.db2.gz CREIXQKSWLEQID-DIFFPNOSSA-N 1 0 320.339 4.675 20 5 DJBDRO Cc1c(C[NH2+][C@H](C)c2cccc(C3CC3)c2)cccc1[N+](=O)[O-] ZINC000556179798 341496436 /nfs/dbraw/zinc/49/64/36/341496436.db2.gz XNWYIJJZMSNDMK-CQSZACIVSA-N 1 0 310.397 4.631 20 5 DJBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)cccc1[N+](=O)[O-] ZINC000556179795 341496539 /nfs/dbraw/zinc/49/65/39/341496539.db2.gz XNWYIJJZMSNDMK-AWEZNQCLSA-N 1 0 310.397 4.631 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000178494405 341956216 /nfs/dbraw/zinc/95/62/16/341956216.db2.gz SRDOMZRAJYDHLR-KUHUBIRLSA-N 1 0 310.397 4.705 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000020015686 182178412 /nfs/dbraw/zinc/17/84/12/182178412.db2.gz SBSVRGNNKJYZMS-RYUDHWBXSA-N 1 0 304.777 4.660 20 5 DJBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000022746006 182332589 /nfs/dbraw/zinc/33/25/89/182332589.db2.gz HESAKXANIWJJOQ-SWLSCSKDSA-N 1 0 302.399 4.554 20 5 DJBDRO CSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000409839337 332059296 /nfs/dbraw/zinc/05/92/96/332059296.db2.gz ZUYKPPBBILAJIE-CHWSQXEVSA-N 1 0 316.426 4.729 20 5 DJBDRO C[C@H]([NH2+][C@@H](C)c1nccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000562082642 332544147 /nfs/dbraw/zinc/54/41/47/332544147.db2.gz SNJDSUWZWXJHPC-KBPBESRZSA-N 1 0 321.380 4.555 20 5 DJBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178649481 333017383 /nfs/dbraw/zinc/01/73/83/333017383.db2.gz LKYHVBIAYCVJQX-GTNSWQLSSA-N 1 0 316.788 4.586 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000178649667 333017437 /nfs/dbraw/zinc/01/74/37/333017437.db2.gz DFEVCNITRGYSSW-WDEREUQCSA-N 1 0 322.767 4.799 20 5 DJBDRO C[C@H](CC1CC1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000497320852 333235797 /nfs/dbraw/zinc/23/57/97/333235797.db2.gz YRRKSVJBBAYJMA-GFCCVEGCSA-N 1 0 316.426 4.602 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1ccc(CC)s1)c1cccc([N+](=O)[O-])c1 ZINC000319142467 333264339 /nfs/dbraw/zinc/26/43/39/333264339.db2.gz UOLGWPBYBRLJDD-QGZVFWFLSA-N 1 0 318.442 4.850 20 5 DJBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000531205109 333330795 /nfs/dbraw/zinc/33/07/95/333330795.db2.gz WRUIZTWMXOJKTK-GUYCJALGSA-N 1 0 316.376 4.844 20 5 DJBDRO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000541767987 333811790 /nfs/dbraw/zinc/81/17/90/333811790.db2.gz BADLDIXYCBHVRA-CYBMUJFWSA-N 1 0 318.804 4.716 20 5 DJBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000049159406 334322815 /nfs/dbraw/zinc/32/28/15/334322815.db2.gz XUSDCNJCJHBXAD-DOMZBBRYSA-N 1 0 304.415 4.767 20 5 DJBDRO CCC[C@H]([NH2+]Cc1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000050225212 334376542 /nfs/dbraw/zinc/37/65/42/334376542.db2.gz GRDXPTPFVYZURU-INIZCTEOSA-N 1 0 304.415 4.596 20 5 DJBDRO CCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000191223048 335640939 /nfs/dbraw/zinc/64/09/39/335640939.db2.gz UONQJQPETJYWEN-MLGOLLRUSA-N 1 0 304.415 4.848 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000094875026 335757728 /nfs/dbraw/zinc/75/77/28/335757728.db2.gz BZGKYQZSKLHGQF-OAHLLOKOSA-N 1 0 304.415 4.596 20 5 DJBDRO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532510981 336252927 /nfs/dbraw/zinc/25/29/27/336252927.db2.gz BFVFHSIOPRKZKE-IFXJQAMLSA-N 1 0 310.397 4.705 20 5 DJBDRO CCC[C@@H]([NH2+]Cc1cc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000379263514 336261882 /nfs/dbraw/zinc/26/18/82/336261882.db2.gz IQPAWQMLXUGELF-MRXNPFEDSA-N 1 0 304.415 4.596 20 5 DJBDRO CCC[C@H]([NH2+]Cc1cc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000379263513 336261911 /nfs/dbraw/zinc/26/19/11/336261911.db2.gz IQPAWQMLXUGELF-INIZCTEOSA-N 1 0 304.415 4.596 20 5 DJBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536825194 337604092 /nfs/dbraw/zinc/60/40/92/337604092.db2.gz FNAMVLXVVSUIPP-KDOFPFPSSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000536825188 337604104 /nfs/dbraw/zinc/60/41/04/337604104.db2.gz FNAMVLXVVSUIPP-KBXCAEBGSA-N 1 0 310.397 4.550 20 5 DJBDRO CCC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000315159280 337981439 /nfs/dbraw/zinc/98/14/39/337981439.db2.gz USDJDUBLKZPXFD-INIZCTEOSA-N 1 0 318.804 4.879 20 5 DJBDRO CC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436288122 338266329 /nfs/dbraw/zinc/26/63/29/338266329.db2.gz FLNVLZMEFYDJPI-LNLFQRSKSA-N 1 0 310.397 4.582 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000437098965 338300947 /nfs/dbraw/zinc/30/09/47/338300947.db2.gz YAZXBMRTBWPASX-WCQYABFASA-N 1 0 318.339 4.531 20 5 DJBDRO C[C@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000451103090 338721180 /nfs/dbraw/zinc/72/11/80/338721180.db2.gz MLFWIPWOZNGORA-GTNSWQLSSA-N 1 0 316.788 4.586 20 5 DJBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1F ZINC000461083862 339058840 /nfs/dbraw/zinc/05/88/40/339058840.db2.gz DBBQEJTZUSVPFD-HNNXBMFYSA-N 1 0 322.767 4.628 20 5 DJBDRO Cc1ccccc1[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000467863677 339248089 /nfs/dbraw/zinc/24/80/89/339248089.db2.gz MAIQEBKHUUHRIY-DNVCBOLYSA-N 1 0 312.413 4.951 20 5 DJBDRO Cc1oc2ccccc2c1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000468019323 339251283 /nfs/dbraw/zinc/25/12/83/339251283.db2.gz GRQBMOOQZXDUNU-CYBMUJFWSA-N 1 0 324.380 4.809 20 5 DJBDRO Cc1ccc2[nH]c(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc2c1C ZINC000472053611 339361147 /nfs/dbraw/zinc/36/11/47/339361147.db2.gz IITABLFKVULRDI-CQSZACIVSA-N 1 0 323.396 4.544 20 5 DJBDRO C[C@@H]([NH2+][C@H]1CCc2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1 ZINC000479254708 339529943 /nfs/dbraw/zinc/52/99/43/339529943.db2.gz WEMLWZZRLYOGRC-DIFFPNOSSA-N 1 0 316.788 4.586 20 5 DJBDRO Cc1c([C@@H](C)[NH2+][C@H](c2cccs2)C2CC2)cccc1[N+](=O)[O-] ZINC000480241485 339564836 /nfs/dbraw/zinc/56/48/36/339564836.db2.gz PBMWJKICRMFFNW-PXAZEXFGSA-N 1 0 316.426 4.767 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000485694058 339709619 /nfs/dbraw/zinc/70/96/19/339709619.db2.gz LTLHDNBXLDTIAG-LLVKDONJSA-N 1 0 322.767 4.547 20 5 DJBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000500492896 340060671 /nfs/dbraw/zinc/06/06/71/340060671.db2.gz CHDATIIZFSUEIC-SFHVURJKSA-N 1 0 316.376 4.529 20 5 DJBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000506277096 340190967 /nfs/dbraw/zinc/19/09/67/340190967.db2.gz JGXCPHZGAKQQMM-ZDUSSCGKSA-N 1 0 314.385 4.523 20 5 DJBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000507167401 340210505 /nfs/dbraw/zinc/21/05/05/340210505.db2.gz LCXVLIHBVUTLQH-WUTVXBCWSA-N 1 0 314.410 4.507 20 5 DJBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000507167399 340210531 /nfs/dbraw/zinc/21/05/31/340210531.db2.gz LCXVLIHBVUTLQH-QQNRWZHASA-N 1 0 314.410 4.507 20 5 DJBDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000236956275 340666747 /nfs/dbraw/zinc/66/67/47/340666747.db2.gz UGKVNCIOAKXRGT-GFCCVEGCSA-N 1 0 318.804 4.661 20 5 DJBDRO C[C@H]([NH2+]Cc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000237502822 340671492 /nfs/dbraw/zinc/67/14/92/340671492.db2.gz JQPJAMHSVRWXTC-AWEZNQCLSA-N 1 0 306.365 4.599 20 5 DJBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc(C)c1F ZINC000538198242 340812960 /nfs/dbraw/zinc/81/29/60/340812960.db2.gz OWYVAEMMKWSLKB-ZIAGYGMSSA-N 1 0 316.376 4.763 20 5 DJBDRO Cc1ccc2ccccc2c1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000538228087 340814140 /nfs/dbraw/zinc/81/41/40/340814140.db2.gz ODTBUMYVYUZXAB-HNNXBMFYSA-N 1 0 320.392 4.907 20 5 DJBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000540221217 340924110 /nfs/dbraw/zinc/92/41/10/340924110.db2.gz VAQFWAFWVRKFIP-KSSFIOAISA-N 1 0 310.397 4.550 20 5 DJBDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000541846872 340985578 /nfs/dbraw/zinc/98/55/78/340985578.db2.gz DXUSZBBZJDREQW-BIENJYKASA-N 1 0 310.397 4.569 20 5 DJBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000542705143 341018339 /nfs/dbraw/zinc/01/83/39/341018339.db2.gz PPJJRQOSSVVHBD-UHFFFAOYSA-N 1 0 318.804 4.582 20 5 DJBDRO Cc1oc2ccccc2c1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000545164663 341110908 /nfs/dbraw/zinc/11/09/08/341110908.db2.gz ABNJZXBEZHWNOY-UHFFFAOYSA-N 1 0 324.380 4.674 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1c(C)cccc1C ZINC000546223829 341157651 /nfs/dbraw/zinc/15/76/51/341157651.db2.gz KRMBQUNRFCEYSR-CVEARBPZSA-N 1 0 312.413 4.932 20 5 DJBDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000546879113 341185075 /nfs/dbraw/zinc/18/50/75/341185075.db2.gz TYCDTXLUTHWIEI-LBPRGKRZSA-N 1 0 318.339 4.539 20 5 DJBDRO Cc1ccc([C@H](C)N[C@@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000078968593 341250752 /nfs/dbraw/zinc/25/07/52/341250752.db2.gz LORSCBFNXIDBTM-RYUDHWBXSA-N 1 0 320.339 4.593 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000079723966 341264554 /nfs/dbraw/zinc/26/45/54/341264554.db2.gz XWNOUPUPUHXJIZ-WDEREUQCSA-N 1 0 322.767 4.799 20 5 DJBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c2ccccc21 ZINC000551063072 341330755 /nfs/dbraw/zinc/33/07/55/341330755.db2.gz ITCSWOKMOPCMEN-ZDUSSCGKSA-N 1 0 324.355 4.738 20 5 DJBDRO Cc1cccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000521479841 518190652 /nfs/dbraw/zinc/19/06/52/518190652.db2.gz IPYAFMVSOWZUKE-GOSISDBHSA-N 1 0 312.413 4.780 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 ZINC000190610174 334958038 /nfs/dbraw/zinc/95/80/38/334958038.db2.gz XQRTYVLQXUJGNF-CHWSQXEVSA-N 1 0 310.353 4.753 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@H](C)CCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000426060210 335094979 /nfs/dbraw/zinc/09/49/79/335094979.db2.gz QXLYPGVRXULUFS-PWSUYJOCSA-N 1 0 318.339 4.675 20 5 DJBDRO Cc1ccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C2CCC2)cc1 ZINC000427551968 332449583 /nfs/dbraw/zinc/44/95/83/332449583.db2.gz ZWYBDVMSAOYHGQ-IBGZPJMESA-N 1 0 310.397 4.534 20 5 DJBDRO CC[C@@H]([NH2+]Cc1cc2cc(C)ccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000561534058 332460350 /nfs/dbraw/zinc/46/03/50/332460350.db2.gz LBIKNNCLFCHSFX-GOSISDBHSA-N 1 0 324.380 4.890 20 5 DJBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000378920255 333063620 /nfs/dbraw/zinc/06/36/20/333063620.db2.gz YBEKBNSJFSNCGS-KRWDZBQOSA-N 1 0 318.804 4.735 20 5 DJBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000390683025 333314991 /nfs/dbraw/zinc/31/49/91/333314991.db2.gz VBIZNRKHOGCWBU-SCLBCKFNSA-N 1 0 316.376 4.782 20 5 DJBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000020526162 333319914 /nfs/dbraw/zinc/31/99/14/333319914.db2.gz BKHMTUINNGNSGO-VXGBXAGGSA-N 1 0 304.777 4.660 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000020545597 333321822 /nfs/dbraw/zinc/32/18/22/333321822.db2.gz KRNGZNCKUMEFER-NEPJUHHUSA-N 1 0 304.777 4.660 20 5 DJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000531205100 333330902 /nfs/dbraw/zinc/33/09/02/333330902.db2.gz WRUIZTWMXOJKTK-CXAGYDPISA-N 1 0 316.376 4.844 20 5 DJBDRO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000531717386 333550323 /nfs/dbraw/zinc/55/03/23/333550323.db2.gz QUYKPWHFMZHZOX-IFXJQAMLSA-N 1 0 310.397 4.705 20 5 DJBDRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531719732 333550697 /nfs/dbraw/zinc/55/06/97/333550697.db2.gz IDYMKYKRUSMIGM-CVEARBPZSA-N 1 0 312.413 4.932 20 5 DJBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)s1 ZINC000531943719 334299979 /nfs/dbraw/zinc/29/99/79/334299979.db2.gz IDKYCIJQCYMOMZ-QWHCGFSZSA-N 1 0 318.442 4.993 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000531961781 334312593 /nfs/dbraw/zinc/31/25/93/334312593.db2.gz ITUZSURAXGYIBE-LLVKDONJSA-N 1 0 322.767 4.547 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000417357811 334707418 /nfs/dbraw/zinc/70/74/18/334707418.db2.gz SDNANARXZJGGLZ-KGLIPLIRSA-N 1 0 310.397 4.884 20 5 DJBDRO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532510983 336252969 /nfs/dbraw/zinc/25/29/69/336252969.db2.gz BFVFHSIOPRKZKE-LIRRHRJNSA-N 1 0 310.397 4.705 20 5 DJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000192725155 336259408 /nfs/dbraw/zinc/25/94/08/336259408.db2.gz WXFQEOHBGXNWTL-APPDUMDISA-N 1 0 320.339 4.675 20 5 DJBDRO Cc1c(C[NH2+][C@@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000532687820 336267536 /nfs/dbraw/zinc/26/75/36/336267536.db2.gz DTHOXJQBYLBUHV-IBGZPJMESA-N 1 0 310.397 4.534 20 5 DJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000321549380 337276124 /nfs/dbraw/zinc/27/61/24/337276124.db2.gz VWGSYQKOEQUOST-KBPBESRZSA-N 1 0 316.376 4.763 20 5 DJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000321549387 337276176 /nfs/dbraw/zinc/27/61/76/337276176.db2.gz VWGSYQKOEQUOST-ZIAGYGMSSA-N 1 0 316.376 4.763 20 5 DJBDRO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000321648333 337281524 /nfs/dbraw/zinc/28/15/24/337281524.db2.gz QIMRGDXMAVYFSG-IFXJQAMLSA-N 1 0 310.397 4.713 20 5 DJBDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1F ZINC000536807226 337394736 /nfs/dbraw/zinc/39/47/36/337394736.db2.gz RQOZZYHECDKSNL-KGLIPLIRSA-N 1 0 316.376 4.763 20 5 DJBDRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000533230131 337837063 /nfs/dbraw/zinc/83/70/63/337837063.db2.gz JAYHCMWPWAMWIT-KRWDZBQOSA-N 1 0 318.804 4.735 20 5 DJBDRO Cc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CCCC2)o1 ZINC000537191575 337910302 /nfs/dbraw/zinc/91/03/02/337910302.db2.gz OIOWKLRBHILKAR-GOSISDBHSA-N 1 0 314.385 4.517 20 5 DJBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000315538634 337989154 /nfs/dbraw/zinc/98/91/54/337989154.db2.gz WAKGSSQTRAXOQV-KRWDZBQOSA-N 1 0 318.804 4.735 20 5 DJBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000426288313 338024634 /nfs/dbraw/zinc/02/46/34/338024634.db2.gz IQROXICVPKTBQN-AUUYWEPGSA-N 1 0 310.397 4.631 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000436286326 338266254 /nfs/dbraw/zinc/26/62/54/338266254.db2.gz AUPHPYDISBMFNV-XIRDDKMYSA-N 1 0 310.397 4.500 20 5 DJBDRO CC[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000436288124 338266281 /nfs/dbraw/zinc/26/62/81/338266281.db2.gz FLNVLZMEFYDJPI-ZHALLVOQSA-N 1 0 310.397 4.582 20 5 DJBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccsc21)c1cccc([N+](=O)[O-])c1 ZINC000453077938 338791010 /nfs/dbraw/zinc/79/10/10/338791010.db2.gz WRHYCJMZAOMRID-XHBSWPGZSA-N 1 0 316.426 4.946 20 5 DJBDRO Cc1c(C[NH2+][C@H]2CC[C@@H](C)c3ccsc32)cccc1[N+](=O)[O-] ZINC000453209492 338808233 /nfs/dbraw/zinc/80/82/33/338808233.db2.gz LLNMPEUCXMGPHZ-ABAIWWIYSA-N 1 0 316.426 4.693 20 5 DJBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(Cl)c1 ZINC000195673454 338913857 /nfs/dbraw/zinc/91/38/57/338913857.db2.gz CHDBJUFYQXYTRZ-INIZCTEOSA-N 1 0 318.804 4.798 20 5 DJBDRO C[C@H]([NH2+]CCCCF)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000462818268 339091671 /nfs/dbraw/zinc/09/16/71/339091671.db2.gz PDJMIOCFXSLEQE-LBPRGKRZSA-N 1 0 322.405 4.724 20 5 DJBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000507167400 340210402 /nfs/dbraw/zinc/21/04/02/340210402.db2.gz LCXVLIHBVUTLQH-UYZDIKGJSA-N 1 0 314.410 4.507 20 5 DJBDRO Cc1c2ccccc2oc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173418480 340364680 /nfs/dbraw/zinc/36/46/80/340364680.db2.gz MXZSMPHNEPLIGP-CYBMUJFWSA-N 1 0 310.353 4.500 20 5 DJBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000123466595 340785933 /nfs/dbraw/zinc/78/59/33/340785933.db2.gz BLFCDFUHEVQHFV-GFCCVEGCSA-N 1 0 312.394 4.660 20 5 DJBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539042160 340866440 /nfs/dbraw/zinc/86/64/40/340866440.db2.gz VWDQSIKVVRPIQH-IFXJQAMLSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540179567 340921022 /nfs/dbraw/zinc/92/10/22/340921022.db2.gz XLMKWJBCDVFVKB-AUUYWEPGSA-N 1 0 310.397 4.550 20 5 DJBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C(C)(C)c1cccs1 ZINC000543501134 341047627 /nfs/dbraw/zinc/04/76/27/341047627.db2.gz FMADCFLAKHEEKU-LBPRGKRZSA-N 1 0 304.415 4.551 20 5 DJBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000544398059 341080222 /nfs/dbraw/zinc/08/02/22/341080222.db2.gz POHFUYGFGQNAAH-HNNXBMFYSA-N 1 0 322.817 4.551 20 5 DJBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000544606940 341088507 /nfs/dbraw/zinc/08/85/07/341088507.db2.gz NGRVAQDRPLMHFA-ZDUSSCGKSA-N 1 0 318.804 4.716 20 5 DJBDRO CCC[C@@H]([NH2+][C@@H](CC)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000546165328 341155465 /nfs/dbraw/zinc/15/54/65/341155465.db2.gz DZTACNIHEOJEJJ-GXTWGEPZSA-N 1 0 318.339 4.757 20 5 DJBDRO Cc1ccc([C@@H](C)N[C@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000078968600 341250673 /nfs/dbraw/zinc/25/06/73/341250673.db2.gz LORSCBFNXIDBTM-VXGBXAGGSA-N 1 0 320.339 4.593 20 5 DJBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000550620377 341319578 /nfs/dbraw/zinc/31/95/78/341319578.db2.gz ZWQWLNIWSXNHNG-UONOGXRCSA-N 1 0 310.397 4.884 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000178494425 341956188 /nfs/dbraw/zinc/95/61/88/341956188.db2.gz SRDOMZRAJYDHLR-IFXJQAMLSA-N 1 0 310.397 4.705 20 5 DJBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cccc1[N+](=O)[O-] ZINC000178494412 341956222 /nfs/dbraw/zinc/95/62/22/341956222.db2.gz SRDOMZRAJYDHLR-LIRRHRJNSA-N 1 0 310.397 4.705 20 5 DJBDRO