smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([N+](=O)[O-])oc2ccc3cc(Br)ccc3c12 ZINC000001999938 180905157 /nfs/dbraw/zinc/90/51/57/180905157.db2.gz JUTVQFUCVFGEPL-UHFFFAOYSA-N 0 0 306.115 4.565 10 5 DJBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000006278522 181325469 /nfs/dbraw/zinc/32/54/69/181325469.db2.gz YAGXVLFIRUYFPS-YRNVUSSQSA-N 0 0 324.380 4.679 10 5 DJBERN Cc1c(Cl)ccc2c(Nc3ccc([N+](=O)[O-])cc3)ccnc12 ZINC000040358912 183056253 /nfs/dbraw/zinc/05/62/53/183056253.db2.gz ADYODRXNAVCYPG-UHFFFAOYSA-N 0 0 313.744 4.848 10 5 DJBERN CC[C@H](Nc1cc(C)c([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000301463538 336308312 /nfs/dbraw/zinc/30/83/12/336308312.db2.gz FYHQMECVXZYGRB-ZDUSSCGKSA-N 0 0 305.765 4.515 10 5 DJBERN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)c1csc(C(C)C)n1 ZINC000301591694 336316991 /nfs/dbraw/zinc/31/69/91/336316991.db2.gz UEKPTOXLIKAVQJ-LLVKDONJSA-N 0 0 305.403 4.656 10 5 DJBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1csc(C(C)C)n1 ZINC000301591695 336316995 /nfs/dbraw/zinc/31/69/95/336316995.db2.gz UEKPTOXLIKAVQJ-NSHDSACASA-N 0 0 305.403 4.656 10 5 DJBERN CC(C)c1cc(Oc2ccc([N+](=O)[O-])cc2F)nc(C(C)C)n1 ZINC000301889412 336336367 /nfs/dbraw/zinc/33/63/67/336336367.db2.gz SLDFKWNTVVHDKJ-UHFFFAOYSA-N 0 0 319.336 4.563 10 5 DJBERN Cc1cc(N[C@@H](C)c2cccs2)c2cccc([N+](=O)[O-])c2n1 ZINC000301984296 336341285 /nfs/dbraw/zinc/34/12/85/336341285.db2.gz CDBQUXOTGFORLT-NSHDSACASA-N 0 0 313.382 4.686 10 5 DJBERN O=[N+]([O-])c1ccc2c(ccn2-c2ccc(C(F)(F)F)cc2)c1 ZINC000584618486 337373213 /nfs/dbraw/zinc/37/32/13/337373213.db2.gz SVYMPXVUJIHYHX-UHFFFAOYSA-N 0 0 306.243 4.558 10 5 DJBERN Cc1ccc(-c2cnc(-c3ccc([N+](=O)[O-])o3)s2)c(C)c1 ZINC000048554911 563924125 /nfs/dbraw/zinc/92/41/25/563924125.db2.gz XNIKRBJVQQBRFP-UHFFFAOYSA-N 0 0 300.339 4.595 10 5 DJBERN O=[N+]([O-])c1cc(-c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cs1 ZINC000079064494 185152595 /nfs/dbraw/zinc/15/25/95/185152595.db2.gz SRVDJNJUMSKSLS-UHFFFAOYSA-N 0 0 319.125 4.538 10 5 DJBERN CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000001597098 180877281 /nfs/dbraw/zinc/87/72/81/180877281.db2.gz OMEMANLEAARAMS-UHFFFAOYSA-N 0 0 316.313 4.593 10 5 DJBERN COc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000002010450 180905161 /nfs/dbraw/zinc/90/51/61/180905161.db2.gz DXXVCXKMSWHGTF-UHFFFAOYSA-N 0 0 314.124 4.703 10 5 in-vitro DJBERN CC[C@@H](C)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000003551850 181033593 /nfs/dbraw/zinc/03/35/93/181033593.db2.gz LMSFXFXAONHRML-JWAFFJSPSA-N 0 0 324.380 4.760 10 5 DJBERN O=[N+]([O-])c1cccc(NC(=S)Nc2cccc3ccccc32)c1 ZINC000005338630 181231696 /nfs/dbraw/zinc/23/16/96/181231696.db2.gz AYEYHCXSNQOQGK-UHFFFAOYSA-N 0 0 323.377 4.557 10 5 DJBERN c1c2ccc(cc3ccc(cc4ccc(cc5ccc1n5)[nH]4)[nH]3)n2 ZINC000005845723 181289031 /nfs/dbraw/zinc/28/90/31/181289031.db2.gz JZRYQZJSTWVBBD-UHFFFAOYSA-N 0 0 310.360 4.870 10 5 endogenous,in-man DJBERN O=[N+]([O-])c1c2ccc3cccc4ccc(c5c1[C@@H](O)CCC5)c2c43 ZINC000006094635 181311938 /nfs/dbraw/zinc/31/19/38/181311938.db2.gz FBNQVDBEPCPMLA-INIZCTEOSA-N 0 0 317.344 4.862 10 5 DJBERN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000040179595 183044803 /nfs/dbraw/zinc/04/48/03/183044803.db2.gz LYTWDAVSXDNOLC-UHFFFAOYSA-N 0 0 324.336 4.519 10 5 DJBERN CC[C@H]([NH2+][C@H](C)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000090918643 332057086 /nfs/dbraw/zinc/05/70/86/332057086.db2.gz ZRIPMXRNTKFUDI-DOMZBBRYSA-N 0 0 304.415 4.767 10 5 DJBERN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090918638 332057135 /nfs/dbraw/zinc/05/71/35/332057135.db2.gz KRRHTCQOXIZNPK-DIFFPNOSSA-N 0 0 320.339 4.675 10 5 DJBERN CCC(=O)c1ccc2sc3ccc(Cl)cc3c(=O)c2c1 ZINC000584590592 337369998 /nfs/dbraw/zinc/36/99/98/337369998.db2.gz JHDICSTXYQNAAY-UHFFFAOYSA-N 0 0 302.782 4.661 10 5 DJBERN O=[N+]([O-])c1cnc2ccc(Oc3ccccc3)cc2c1Cl ZINC000098061873 563522391 /nfs/dbraw/zinc/52/23/91/563522391.db2.gz NXQHUIGYDHUUIT-UHFFFAOYSA-N 0 0 300.701 4.589 10 5 DJBERN CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006391714 181336207 /nfs/dbraw/zinc/33/62/07/181336207.db2.gz OJLPHIHODGYIQH-XTZCOPOCSA-N 0 0 324.380 4.760 10 5 DJBERN CC[C@@H](C)n1c2ccc([N+](=O)[O-])cc2nc1C1CCCCC1 ZINC000006693901 181370948 /nfs/dbraw/zinc/37/09/48/181370948.db2.gz AYJZKHWZDVVKOZ-GFCCVEGCSA-N 0 0 301.390 4.963 10 5 DJBERN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2cccs2)c1 ZINC000008512978 181560819 /nfs/dbraw/zinc/56/08/19/181560819.db2.gz VWQJHXFONRJARS-UHFFFAOYSA-N 0 0 324.361 4.576 10 5 DJBERN C[C@H](Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000020090250 182186192 /nfs/dbraw/zinc/18/61/92/182186192.db2.gz XVGXVUFPHNEITO-JTQLQIEISA-N 0 0 321.174 4.530 10 5 DJBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1cccc(Cl)c1Cl ZINC000038082360 182986128 /nfs/dbraw/zinc/98/61/28/182986128.db2.gz CAFRJLHWTJYQRT-UHFFFAOYSA-N 0 0 319.531 4.742 10 5 DJBERN CCCCC1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000040949139 183150825 /nfs/dbraw/zinc/15/08/25/183150825.db2.gz ZYOSSLTXOBMIQO-UHFFFAOYSA-N 0 0 318.417 4.838 10 5 DJBERN CC[C@H]([NH2+][C@@H](C)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000090918642 332057147 /nfs/dbraw/zinc/05/71/47/332057147.db2.gz ZRIPMXRNTKFUDI-WFASDCNBSA-N 0 0 304.415 4.767 10 5 DJBERN CC[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000301116481 332970429 /nfs/dbraw/zinc/97/04/29/332970429.db2.gz VMRLMDCJTLQFAM-ZDUSSCGKSA-N 0 0 313.382 4.768 10 5 DJBERN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cc2cc(Cl)ccc2o1 ZINC000301295162 336299336 /nfs/dbraw/zinc/29/93/36/336299336.db2.gz WYYIUSQPQZDDMQ-VIFPVBQESA-N 0 0 317.732 4.563 10 5 DJBERN Cc1cccc(-c2cc([N+](=O)[O-])ccc2Br)c1C ZINC000584614227 337372625 /nfs/dbraw/zinc/37/26/25/337372625.db2.gz RZTSNUPEKCNCLI-UHFFFAOYSA-N 0 0 306.159 4.641 10 5 DJBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000035052283 337740930 /nfs/dbraw/zinc/74/09/30/337740930.db2.gz HCLNDLSPCRRZOZ-SNVBAGLBSA-N 0 0 321.174 4.530 10 5 DJBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000070275656 340992669 /nfs/dbraw/zinc/99/26/69/340992669.db2.gz DOMZUNAZHPVIHH-PSASIEDQSA-N 0 0 322.714 4.781 10 5 DJBERN O=[N+]([O-])c1ccc(NC2CCC(C(F)(F)F)CC2)c(Cl)c1 ZINC000070275009 340992736 /nfs/dbraw/zinc/99/27/36/340992736.db2.gz ZQFDTLGKVAORFM-UHFFFAOYSA-N 0 0 322.714 4.781 10 5 DJBERN CCC(C)(C)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014776977 190640005 /nfs/dbraw/zinc/64/00/05/190640005.db2.gz CEBVRQABTNFPSN-UHFFFAOYSA-N 0 0 313.353 4.502 10 5 DJBERN CC(C)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000005727501 181277582 /nfs/dbraw/zinc/27/75/82/181277582.db2.gz GOUMTNBHUKSQNU-UHFFFAOYSA-N 0 0 319.744 4.591 10 5 DJBERN C[C@@H](Nc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000020526050 182227205 /nfs/dbraw/zinc/22/72/05/182227205.db2.gz SOKWBMCXFUGBMG-SNVBAGLBSA-N 0 0 321.174 4.530 10 5 DJBERN O=[N+]([O-])c1ccc(Nc2ccnc3c(F)cccc23)c(Cl)c1 ZINC000039963714 183025608 /nfs/dbraw/zinc/02/56/08/183025608.db2.gz SKWJKQYNXHNXKB-UHFFFAOYSA-N 0 0 317.707 4.679 10 5 DJBERN Cc1ccccc1Nc1ncc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000040176417 183043970 /nfs/dbraw/zinc/04/39/70/183043970.db2.gz AEVKYCHEENHFBP-UHFFFAOYSA-N 0 0 311.366 4.770 10 5 DJBERN Cc1ccc(C)c(-c2cn3c4ccc([N+](=O)[O-])cc4sc3n2)c1 ZINC000040964432 183152263 /nfs/dbraw/zinc/15/22/63/183152263.db2.gz ZGBCFKWNDGBRKY-UHFFFAOYSA-N 0 0 323.377 4.741 10 5 DJBERN CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000301463537 336308305 /nfs/dbraw/zinc/30/83/05/336308305.db2.gz FYHQMECVXZYGRB-CYBMUJFWSA-N 0 0 305.765 4.515 10 5 DJBERN Cc1cc(N[C@@H](c2cccs2)C(C)(C)C)ncc1[N+](=O)[O-] ZINC000301583713 336316358 /nfs/dbraw/zinc/31/63/58/336316358.db2.gz ULEAQXWAFROLAB-AWEZNQCLSA-N 0 0 305.403 4.559 10 5 DJBERN Cc1ccc(N[C@@H](C)c2csc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000301593253 336317064 /nfs/dbraw/zinc/31/70/64/336317064.db2.gz UQFRBOPYPYCYRG-NSHDSACASA-N 0 0 305.403 4.656 10 5 DJBERN CC(=O)Oc1ccc2c(ccc3c(C)c4ccccc4nc23)c1 ZINC000584591638 337373493 /nfs/dbraw/zinc/37/34/93/337373493.db2.gz BQYVJAHZMHZPJY-UHFFFAOYSA-N 0 0 301.345 4.775 10 5 DJBERN Cc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000048524460 563924093 /nfs/dbraw/zinc/92/40/93/563924093.db2.gz KNSTZDFUTSTGOX-UHFFFAOYSA-N 0 0 310.360 4.635 10 5 DJBERN C[N+](C)([O-])CC/C=C\[C@H]1[C@@H]2CCCC[C@H]2OC[C@H]2CCCC[C@H]21 ZINC000306146599 231094286 /nfs/dbraw/zinc/09/42/86/231094286.db2.gz KUXAJASWLNBPMY-YFZGSEDOSA-N 0 0 321.505 4.519 10 5 DJBERN CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000003553533 181033532 /nfs/dbraw/zinc/03/35/32/181033532.db2.gz MFMZPPWKJLFXOZ-UELRPHRMSA-N 0 0 324.380 4.760 10 5 DJBERN Cc1c2cc(C)ccc2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000006860139 181398326 /nfs/dbraw/zinc/39/83/26/181398326.db2.gz JDVFNYDHIDKCIM-UHFFFAOYSA-N 0 0 324.336 4.519 10 5 DJBERN COc1ccc2scc(Nc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000020259488 182200970 /nfs/dbraw/zinc/20/09/70/182200970.db2.gz LCGKESNGJQMNRB-UHFFFAOYSA-N 0 0 300.339 4.562 10 5 DJBERN O=Cc1ccc(Oc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000020298844 182203870 /nfs/dbraw/zinc/20/38/70/182203870.db2.gz QUSQGDRJLLHRIM-UHFFFAOYSA-N 0 0 312.108 4.506 10 5 DJBERN CCCCC1CCC(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000040949138 183150439 /nfs/dbraw/zinc/15/04/39/183150439.db2.gz APHYZQFPFOLKJB-UHFFFAOYSA-N 0 0 318.417 4.838 10 5 DJBERN O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1Oc1ccccc1 ZINC000065748425 184378675 /nfs/dbraw/zinc/37/86/75/184378675.db2.gz QXRROUXILAFNBG-UHFFFAOYSA-N 0 0 319.316 4.618 10 5 in-vitro DJBERN COc1c(-c2ccccc2)cc([N+](=O)[O-])cc1-c1ccccc1 ZINC000584614073 337372549 /nfs/dbraw/zinc/37/25/49/337372549.db2.gz WPNSADSIBZJREB-UHFFFAOYSA-N 0 0 305.333 4.937 10 5 DJBERN COc1ccc2cnc3c(ccc4cc(OC)c(OC)cc43)c2c1 ZINC000584596622 337374159 /nfs/dbraw/zinc/37/41/59/337374159.db2.gz HYWPDYRVFDZVBR-UHFFFAOYSA-N 0 0 319.360 4.567 10 5 DJBERN CC[C@@H](C)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000005509038 181251359 /nfs/dbraw/zinc/25/13/59/181251359.db2.gz SYISJMJKYIJJBL-GFCCVEGCSA-N 0 0 312.369 4.669 10 5 DJBERN CC[C@H](C)n1c2ccc([N+](=O)[O-])cc2nc1C1CCCCC1 ZINC000006693911 181370611 /nfs/dbraw/zinc/37/06/11/181370611.db2.gz AYJZKHWZDVVKOZ-LBPRGKRZSA-N 0 0 301.390 4.963 10 5 DJBERN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006826298 181395487 /nfs/dbraw/zinc/39/54/87/181395487.db2.gz HZRAGPLEVKDBQB-UHFFFAOYSA-N 0 0 324.336 4.519 10 5 DJBERN C[C@H](Nc1cccc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000020526051 182227224 /nfs/dbraw/zinc/22/72/24/182227224.db2.gz SOKWBMCXFUGBMG-JTQLQIEISA-N 0 0 321.174 4.530 10 5 DJBERN Cc1onc(/C=C/c2cccc(Oc3ccccc3)c2)c1[N+](=O)[O-] ZINC000021963943 182301114 /nfs/dbraw/zinc/30/11/14/182301114.db2.gz QKMOCMRJKJOIIH-ZHACJKMWSA-N 0 0 322.320 4.854 10 5 DJBERN CCc1ccc([C@@H](C)[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)o1 ZINC000090918597 332057270 /nfs/dbraw/zinc/05/72/70/332057270.db2.gz KWPQJONAKARELI-WBMJQRKESA-N 0 0 302.374 4.552 10 5 DJBERN C[C@H](Nc1ncccc1[N+](=O)[O-])c1cc2cc(Cl)ccc2o1 ZINC000301252458 336297038 /nfs/dbraw/zinc/29/70/38/336297038.db2.gz BXFRTACLBCGKSA-VIFPVBQESA-N 0 0 317.732 4.563 10 5 DJBERN Cc1cc(N[C@H](C)c2cccs2)c2cccc([N+](=O)[O-])c2n1 ZINC000301984294 336341349 /nfs/dbraw/zinc/34/13/49/336341349.db2.gz CDBQUXOTGFORLT-LLVKDONJSA-N 0 0 313.382 4.686 10 5 DJBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000035052285 337740909 /nfs/dbraw/zinc/74/09/09/337740909.db2.gz GIVDFGUQTOSNGM-SNVBAGLBSA-N 0 0 321.174 4.530 10 5 DJBERN O=[N+]([O-])c1cnc2c(Oc3ccccc3)cccc2c1Cl ZINC000098061819 563522648 /nfs/dbraw/zinc/52/26/48/563522648.db2.gz FBVKBODVKLNZRP-UHFFFAOYSA-N 0 0 300.701 4.589 10 5 DJBERN C[N+](C)([O-])[C@@H](CCOc1cccc2ccccc21)c1ccccc1 ZINC000077286396 563927436 /nfs/dbraw/zinc/92/74/36/563927436.db2.gz LVJBASLGSATTOZ-FQEVSTJZSA-N 0 0 321.420 4.924 10 5 in-vitro DJBERN CSc1cccc2sc(Nc3cccc([N+](=O)[O-])c3)nc21 ZINC000005087644 181202298 /nfs/dbraw/zinc/20/22/98/181202298.db2.gz XRSPLSCIBOTGDE-UHFFFAOYSA-N 0 0 317.395 4.670 10 5 DJBERN O=[N+]([O-])c1ccccc1NC(=S)Nc1cccc2ccccc21 ZINC000005338632 181231719 /nfs/dbraw/zinc/23/17/19/181231719.db2.gz TVNDNXSHWJEUDB-UHFFFAOYSA-N 0 0 323.377 4.557 10 5 DJBERN CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006395309 181336969 /nfs/dbraw/zinc/33/69/69/181336969.db2.gz OJLPHIHODGYIQH-FNDVETGQSA-N 0 0 324.380 4.760 10 5 DJBERN O=Cc1ccc(Oc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000008148534 181530245 /nfs/dbraw/zinc/53/02/45/181530245.db2.gz YKGNRBWRQGOCAF-UHFFFAOYSA-N 0 0 312.108 4.506 10 5 DJBERN O[C@H]1C=Cc2c3cc4c(ccc5ccccc54)cc3ccc2[C@@H]1O ZINC000006118422 181313729 /nfs/dbraw/zinc/31/37/29/181313729.db2.gz FQBLNMVYPJPBRV-VXKWHMMOSA-N 0 0 312.368 4.567 10 5 DJBERN Cc1ccc2nccc(Nc3ccc([N+](=O)[O-])cc3Cl)c2c1 ZINC000041054769 183159670 /nfs/dbraw/zinc/15/96/70/183159670.db2.gz GJOKLHZSZZFFSQ-UHFFFAOYSA-N 0 0 313.744 4.848 10 5 DJBERN COc1cc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000504646959 257132304 /nfs/dbraw/zinc/13/23/04/257132304.db2.gz MVFSOMFASDJKKD-UHFFFAOYSA-N 0 0 314.124 4.703 10 5 DJBERN Cc1c([C@@H](C)Nc2cccc(-c3cnco3)c2)cccc1[N+](=O)[O-] ZINC000182832236 337188588 /nfs/dbraw/zinc/18/85/88/337188588.db2.gz ZHYCDJMELIATIR-CYBMUJFWSA-N 0 0 323.352 4.731 10 5 DJBERN CC(C)c1ccc2nc3ccc(Br)cc3nc2c1 ZINC000072206779 519840714 /nfs/dbraw/zinc/84/07/14/519840714.db2.gz CHXRUNBBSYPIEG-UHFFFAOYSA-N 0 0 301.187 4.669 10 5 DJBERN CC[C@H](C)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000003551853 181033371 /nfs/dbraw/zinc/03/33/71/181033371.db2.gz LMSFXFXAONHRML-UELRPHRMSA-N 0 0 324.380 4.760 10 5 DJBERN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000004947869 181178336 /nfs/dbraw/zinc/17/83/36/181178336.db2.gz CHQGGQYDUYJGCF-UHFFFAOYSA-N 0 0 318.332 4.514 10 5 DJBERN CC[C@H](C)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 ZINC000005509041 181251159 /nfs/dbraw/zinc/25/11/59/181251159.db2.gz SYISJMJKYIJJBL-LBPRGKRZSA-N 0 0 312.369 4.669 10 5 DJBERN O=C(CCC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005670890 181270122 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