smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1nc(=O)c2cc3cc(OC)cc(OC)c3[nH]c-2n1 ZINC000026640388 202146018 /nfs/dbraw/zinc/14/60/18/202146018.db2.gz NQIOJYAGENYRKY-UHFFFAOYSA-N 0 0 329.312 2.078 1 5 EEBFRN CC1(C)C[C@](O)([C@@H]2CCC[S@]2=O)c2cc([N+](=O)[O-])ccc2O1 ZINC000027639077 202158422 /nfs/dbraw/zinc/15/84/22/202158422.db2.gz NSSSVRCZXMQZMF-IEROGBPDSA-N 0 0 325.386 2.255 1 5 EEBFRN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])o3)O2)cc1 ZINC000096913471 203900886 /nfs/dbraw/zinc/90/08/86/203900886.db2.gz IAKLAFDRFJITAY-OAHLLOKOSA-N 0 0 331.284 2.436 1 5 EEBFRN Nc1nc2ccc3ccc(Br)c([N+](=O)[O-])c3c2c(=O)[nH]1 ZINC000013832410 201918051 /nfs/dbraw/zinc/91/80/51/201918051.db2.gz VQHCXCBRGLBXBR-UHFFFAOYSA-N 0 0 335.117 2.329 1 5 EEBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(C(F)(F)F)nc1)C2 ZINC000072123367 203165595 /nfs/dbraw/zinc/16/55/95/203165595.db2.gz LUJXFKTZDJKJLJ-VIFPVBQESA-N 0 0 344.249 2.183 1 5 EEBFRN O=C1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]2OCCCN12 ZINC000036389444 132392417 /nfs/dbraw/zinc/39/24/17/132392417.db2.gz ZIPVXVFIMLXIJT-ZDUSSCGKSA-N 0 0 345.277 2.009 3 5 EEBFRN CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)c2c(C)n[nH]c2C[C@@]1(C)O ZINC000013145042 277100154 /nfs/dbraw/zinc/10/01/54/277100154.db2.gz KLUFAIXBSGETEP-WCXIOVBPSA-N 0 0 329.356 2.485 1 5 EEBFRN Cn1c(=O)nc2n(-c3ccccc3Cl)c3ccccc3nc-2c1=O ZINC000029487632 202187712 /nfs/dbraw/zinc/18/77/12/202187712.db2.gz FXAABCAVOHQXJE-UHFFFAOYSA-N 0 0 338.754 2.238 1 5 EEBFRN CCc1cccc(-n2c3ccccc3nc3c(=O)n(C)c(=O)nc2-3)c1 ZINC000029479760 202188133 /nfs/dbraw/zinc/18/81/33/202188133.db2.gz GSYNVDOWTAMAEA-UHFFFAOYSA-N 0 0 332.363 2.147 1 5 EEBFRN Cc1ncc([N+](=O)[O-])n1Cc1nnc(Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000084759495 203539045 /nfs/dbraw/zinc/53/90/45/203539045.db2.gz POJKJOZZBDKFOL-UHFFFAOYSA-N 0 0 344.287 2.030 1 5 EEBFRN CNc1ccc2cc3ccc(N(C)S(C)(=O)=O)cc3nc2c1CO ZINC000028017284 202164147 /nfs/dbraw/zinc/16/41/47/202164147.db2.gz NHPXFGHIVOZMLY-UHFFFAOYSA-N 0 0 345.424 2.318 1 5 EEBFRN CC(=O)Nc1ccc(/C=C\c2ccc3c(c2)no[n+]3[O-])cc1[N+](=O)[O-] ZINC000028648461 202174201 /nfs/dbraw/zinc/17/42/01/202174201.db2.gz FBQHOOCDPPHKDD-IHWYPQMZSA-N 0 0 340.295 2.498 1 5 EEBFRN CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(C)n[nH]c2C[C@@]1(C)O ZINC000013145039 278231973 /nfs/dbraw/zinc/23/19/73/278231973.db2.gz KLUFAIXBSGETEP-YYIAUSFCSA-N 0 0 329.356 2.485 1 5 EEBFRN Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])n1C ZINC000035075790 213006092 /nfs/dbraw/zinc/00/60/92/213006092.db2.gz OWEWHWNGBGRYQI-UHFFFAOYSA-N 0 0 329.765 2.264 1 5 EEBFRN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000013154591 211532098 /nfs/dbraw/zinc/53/20/98/211532098.db2.gz POQLTXUQTRSJEL-FHYCKABGSA-N 0 0 328.324 2.305 1 5 EEBFRN CCOC(=O)CNC(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC000040915763 213399546 /nfs/dbraw/zinc/39/95/46/213399546.db2.gz GSEHTJFCQNVYDK-UHFFFAOYSA-N 0 0 325.320 2.239 1 5 EEBFRN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C(NC1CCCC1)S2 ZINC000095581188 218440860 /nfs/dbraw/zinc/44/08/60/218440860.db2.gz NFZPYTAWQZAWMZ-UHFFFAOYSA-N 0 0 327.387 2.277 1 5 EEBFRN O=c1[nH]c2cc([N+](=O)[O-])c(-n3cnc(-c4ccccc4)c3)cc2[nH]c1=O ZINC000013734394 581101756 /nfs/dbraw/zinc/10/17/56/581101756.db2.gz ODNMUINKJSMHBQ-UHFFFAOYSA-N 0 0 349.306 2.390 1 5 EEBFRN O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(F)cc2)c(Br)n1 ZINC000066077244 215006262 /nfs/dbraw/zinc/00/62/62/215006262.db2.gz CFSHGTGRTQVUJP-SECBINFHSA-N 0 0 330.113 2.427 1 5 EEBFRN COC(=O)c1cccc2nc3cc(C(=O)COC(C)=O)ccc3nc21 ZINC000103221362 219271246 /nfs/dbraw/zinc/27/12/46/219271246.db2.gz VRLUHIKVPCDSDI-UHFFFAOYSA-N 0 0 338.319 2.315 1 5 EEBFRN Cc1ncc([N+](=O)[O-])n1CCn1cc(COc2ccc(C)cc2)nn1 ZINC000040916898 213399778 /nfs/dbraw/zinc/39/97/78/213399778.db2.gz KKQKSKRAOQMJJS-UHFFFAOYSA-N 0 0 342.359 2.279 1 5 EEBFRN CC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000040565433 213351175 /nfs/dbraw/zinc/35/11/75/213351175.db2.gz XRCPBGDHHWPJRJ-OAHLLOKOSA-N 0 0 344.371 2.282 1 5 EEBFRN COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])C[C@H]2O ZINC000015203900 717111368 /nfs/dbraw/zinc/11/13/68/717111368.db2.gz DWXDTNCZRDEMJI-CUWQPKQQSA-N 0 0 345.395 2.176 1 5 EEBFRN O=C(N[C@H]1CO[C@H](c2cccc([N+](=O)[O-])c2)OC1)c1ccccc1 ZINC000101099038 219116310 /nfs/dbraw/zinc/11/63/10/219116310.db2.gz SNALIZIHAOIOAL-KDYLLFBJSA-N 0 0 328.324 2.439 1 5 EEBFRN COc1cc2c(cc1OC)[C@H]1[C@H]3[C@@H](C=C[C@H]1OC2=O)CC[N+]3(C)[O-] ZINC000238785394 717163631 /nfs/dbraw/zinc/16/36/31/717163631.db2.gz OFMFGOQVKICLKO-VSMDSSBISA-N 0 0 331.368 2.229 1 5 EEBFRN C[N+](C)([O-])CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc13 ZINC000101446266 219127569 /nfs/dbraw/zinc/12/75/69/219127569.db2.gz JVJKOVPUHUJOAK-UHFFFAOYSA-N 0 0 338.367 2.130 1 5 EEBFRN C[C@@H]1NC(c2ccc([N+](=O)[O-])cc2)=Nc2nc3ccccn3c2C1=O ZINC000103245034 219274634 /nfs/dbraw/zinc/27/46/34/219274634.db2.gz KEPDUUDXHGCSLV-JTQLQIEISA-N 0 0 335.323 2.495 1 5 EEBFRN CCCCC(=O)CCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000085589801 571785098 /nfs/dbraw/zinc/78/50/98/571785098.db2.gz DZALQUYFNHIYDL-HNNXBMFYSA-O 0 0 330.445 2.399 1 5 endogenous,in-man EEBFRN CC(C)C[C@@H](CO)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000012474538 211389873 /nfs/dbraw/zinc/38/98/73/211389873.db2.gz DYGOPDPSOSRJDY-KRWDZBQOSA-N 0 0 349.431 2.036 3 5 EEBFRN COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N@+]3([O-])C[C@@H]2O ZINC000685935670 717188232 /nfs/dbraw/zinc/18/82/32/717188232.db2.gz DWXDTNCZRDEMJI-PQTDTLSBSA-N 0 0 345.395 2.176 1 5 biogenic,in-vitro EEBFRN O=c1oc2nc3c(cnn3-c3ccccc3)c(=O)n2c2ccccc12 ZINC000045314958 213724533 /nfs/dbraw/zinc/72/45/33/213724533.db2.gz KVUQNTFWUHXBHI-UHFFFAOYSA-N 0 0 330.303 2.140 1 5 EEBFRN NC(=O)c1cc([N+](=O)[O-])c(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000073200348 216363369 /nfs/dbraw/zinc/36/33/69/216363369.db2.gz JIIRRGZMKSSPBA-UHFFFAOYSA-N 0 0 342.311 2.165 1 5 EEBFRN C[N+]1([O-])C[C@@H](O)c2cc3c(c4c2[C@H]1[C@H](O)c1ccccc1-4)OCO3 ZINC000014715509 717110588 /nfs/dbraw/zinc/11/05/88/717110588.db2.gz PUJJAPBMADETJQ-UDQUQLQASA-N 0 0 327.336 2.162 1 5 EEBFRN Nc1ccc(S(=O)(=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 ZINC000029482330 212669031 /nfs/dbraw/zinc/66/90/31/212669031.db2.gz PXYHVIRZNYCJCU-UHFFFAOYSA-N 0 0 344.352 2.140 1 5 EEBFRN CCCCC(=O)CCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000085589807 571785137 /nfs/dbraw/zinc/78/51/37/571785137.db2.gz DZALQUYFNHIYDL-OAHLLOKOSA-O 0 0 330.445 2.399 1 5 endogenous,in-man EEBFRN COc1ccc(Cn2c(=O)[nH]c3cc([N+](=O)[O-])ccc32)c(OC)c1 ZINC000072172128 216063909 /nfs/dbraw/zinc/06/39/09/216063909.db2.gz BYDHSFGWZOZAQH-UHFFFAOYSA-N 0 0 329.312 2.303 1 5 EEBFRN CCOC(=O)c1c[nH]nc1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000103211484 219270342 /nfs/dbraw/zinc/27/03/42/219270342.db2.gz CGSQJDMWKPSXMB-UHFFFAOYSA-N 0 0 335.345 2.304 1 5 EEBFRN COc1ccc2c(c1)oc1ccc(C(=O)NC[C@H](C)O)cc1c2=O ZINC000103228866 219272187 /nfs/dbraw/zinc/27/21/87/219272187.db2.gz BOCQUUFGFXSIFV-JTQLQIEISA-N 0 0 327.336 2.065 1 5 EEBFRN NC(=O)c1cc(N2CCc3ccccc3C2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000073200344 216363725 /nfs/dbraw/zinc/36/37/25/216363725.db2.gz DBRHDUWRUKPKBU-UHFFFAOYSA-N 0 0 342.311 2.165 1 5 EEBFRN CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc([N+](=O)[O-])cc1 ZINC000013680750 211606752 /nfs/dbraw/zinc/60/67/52/211606752.db2.gz VDOCSRQMNSSIHX-UHFFFAOYSA-N 0 0 331.357 2.455 1 5 EEBFRN Cc1nccn1-c1nc(NC[C@H]2CCCCO2)nc(C)c1[N+](=O)[O-] ZINC000028821472 202177673 /nfs/dbraw/zinc/17/76/73/202177673.db2.gz LWYCLEOURKNTGE-GFCCVEGCSA-N 0 0 332.364 2.168 1 5 EEBFRN Cc1nccn1-c1nc(N[C@H]2CCCO[C@H]2C)nc(C)c1[N+](=O)[O-] ZINC000028821489 202177541 /nfs/dbraw/zinc/17/75/41/202177541.db2.gz MUVKLQALFDQZKH-JQWIXIFHSA-N 0 0 332.364 2.167 1 5 EEBFRN COc1cc([C@H](O)c2ncc([N+](=O)[O-])n2C)c(O)c(C(C)(C)C)c1 ZINC000029471609 202188464 /nfs/dbraw/zinc/18/84/64/202188464.db2.gz MMUGHZVJLWSNJQ-AWEZNQCLSA-N 0 0 335.360 2.422 1 5 EEBFRN COc1ccc(-c2nnc3c([n+]2[O-])C(C)(C)OC3(C)C)cc1[N+](=O)[O-] ZINC000027549731 202155982 /nfs/dbraw/zinc/15/59/82/202155982.db2.gz SLNVQELTLCKCIT-UHFFFAOYSA-N 0 0 346.343 2.194 1 5 EEBFRN O=C(CC[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000072112002 203162870 /nfs/dbraw/zinc/16/28/70/203162870.db2.gz MTGWJPLOJFNTKP-UHFFFAOYSA-N 0 0 331.294 2.021 1 5 EEBFRN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@@H]21 ZINC000013154751 201887946 /nfs/dbraw/zinc/88/79/46/201887946.db2.gz OJSWZGUESFPIQQ-OTSLLENHSA-N 0 0 340.335 2.161 1 5 EEBFRN NS(=O)(=O)Oc1ccc2c3oc4ccccc4c3c(=O)oc2c1 ZINC000028088056 202164183 /nfs/dbraw/zinc/16/41/83/202164183.db2.gz LKBZBFHWCAZWGN-UHFFFAOYSA-N 0 0 331.305 2.275 1 5 EEBFRN Cc1nccn1-c1nc(N[C@@H]2CCCO[C@H]2C)nc(C)c1[N+](=O)[O-] ZINC000028821491 202177821 /nfs/dbraw/zinc/17/78/21/202177821.db2.gz MUVKLQALFDQZKH-CMPLNLGQSA-N 0 0 332.364 2.167 1 5 EEBFRN CCOc1cc(NCCN2CCOCC2)c([N+](=O)[O-])cc1OCC ZINC000023408588 202103359 /nfs/dbraw/zinc/10/33/59/202103359.db2.gz WJHLCJZOILGIQY-UHFFFAOYSA-N 0 0 339.392 2.136 3 5 EEBFRN Cc1nc2ccccc2c(=O)n1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000103286312 219283328 /nfs/dbraw/zinc/28/33/28/219283328.db2.gz QHHQFMFUBXEHHL-UHFFFAOYSA-N 0 0 339.311 2.389 1 5 EEBFRN COc1ccc2c(=O)c3c(cc4c(c3OC)OCO4)n(C)c2c1OC ZINC000014721303 560224961 /nfs/dbraw/zinc/22/49/61/560224961.db2.gz RATVKISXWJHNNK-UHFFFAOYSA-N 0 0 343.335 2.446 1 5 biogenic,in-vitro EEBFRN COc1ccc2c3c1O[C@H]1C(OC)=CC=C4[C@@H](C2)[N+](C)([O-])CC[C@@]341 ZINC000034558702 717124597 /nfs/dbraw/zinc/12/45/97/717124597.db2.gz PMXUJDPQAVEYII-CMUWLYKVSA-N 0 0 327.380 2.437 1 5 EEBFRN COc1ccc2c(c1)c(=O)c1c3c(ccc1NCC[NH+](C)C)ncn32 ZINC000100901356 219111328 /nfs/dbraw/zinc/11/13/28/219111328.db2.gz NJTQMNXHSDDMHX-UHFFFAOYSA-N 0 0 336.395 2.421 1 5 in-vitro EEBFRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000040395092 213297547 /nfs/dbraw/zinc/29/75/47/213297547.db2.gz FFRIFSZHDAGIJG-UHFFFAOYSA-N 0 0 331.353 2.394 1 5 EEBFRN Nc1ccc([S@@](=O)c2cc(N)c3ncccc3c2[N+](=O)[O-])cc1 ZINC000029480659 212669701 /nfs/dbraw/zinc/66/97/01/212669701.db2.gz SGYJHXHAOBGOEO-QHCPKHFHSA-N 0 0 328.353 2.474 1 5 EEBFRN COc1cc2c(c3c1c(=O)c1cccnc1n3C)C[C@H]([C@]1(C)CO1)O2 ZINC000072122774 216015433 /nfs/dbraw/zinc/01/54/33/216015433.db2.gz NZFPFIHKBSWAOR-KUHUBIRLSA-N 0 0 338.363 2.188 1 5 EEBFRN CCOc1cc([C@@H]2NC(=O)N(C)C(C)=C2[N+](=O)[O-])ccc1OC(C)=O ZINC000003193410 209975996 /nfs/dbraw/zinc/97/59/96/209975996.db2.gz FGBUGRXYIBPBQO-AWEZNQCLSA-N 0 0 349.343 2.215 3 5 EEBFRN C[N+]1([O-])CCc2cc3c(c4c2[C@H]1[C@@H](O)c1cccc(O)c1-4)OCO3 ZINC000014683261 717110586 /nfs/dbraw/zinc/11/05/86/717110586.db2.gz AOFHPOFSZVIFKI-YGYNJSFOSA-N 0 0 327.336 2.377 1 5 EEBFRN COC(=O)c1cccc2nc3c(cccc3C(=O)COC(C)=O)nc21 ZINC000103223570 219271785 /nfs/dbraw/zinc/27/17/85/219271785.db2.gz AHOGOFMUGWWWSX-UHFFFAOYSA-N 0 0 338.319 2.315 1 5 EEBFRN CCOc1cc([C@H]2NC(=O)N(C)C(C)=C2[N+](=O)[O-])ccc1OC(C)=O ZINC000003193412 209976771 /nfs/dbraw/zinc/97/67/71/209976771.db2.gz FGBUGRXYIBPBQO-CQSZACIVSA-N 0 0 349.343 2.215 3 5 EEBFRN CNc1ccc2c(c1)n(C)c1c(OC)c(OC)c(OC)c(O)c1c2=O ZINC000100843102 219108633 /nfs/dbraw/zinc/10/86/33/219108633.db2.gz HAFHHJWVOAJIEM-UHFFFAOYSA-N 0 0 344.367 2.465 1 5 EEBFRN COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])C[C@@H]2O ZINC000038306954 717126025 /nfs/dbraw/zinc/12/60/25/717126025.db2.gz DWXDTNCZRDEMJI-YNCSRZAISA-N 0 0 345.395 2.176 1 5 EEBFRN NC(=O)C1CCN(c2nc(-c3ccccc3[N+](=O)[O-])cs2)CC1 ZINC000036380792 213092071 /nfs/dbraw/zinc/09/20/71/213092071.db2.gz QVHZMVMCGBRRAM-UHFFFAOYSA-N 0 0 332.385 2.420 1 5 EEBFRN Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccncc2)o1 ZINC000095605617 218445855 /nfs/dbraw/zinc/44/58/55/218445855.db2.gz GFMNILURNLRZHE-UHFFFAOYSA-N 0 0 332.345 2.337 1 5 EEBFRN Nc1nc2ccc3ccc(I)cc3c2c(=O)[nH]1 ZINC000013832390 211649280 /nfs/dbraw/zinc/64/92/80/211649280.db2.gz MIISFGLDHJRHGS-UHFFFAOYSA-N 0 0 337.120 2.263 1 5 EEBFRN CCS(=O)(=O)[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 ZINC000073141664 216354638 /nfs/dbraw/zinc/35/46/38/216354638.db2.gz BUPDLZIYZYSTEG-KBPBESRZSA-N 0 0 342.417 2.273 1 5 EEBFRN NS(=O)(=O)c1ccc(-n2ncc([N+](=O)[O-])c2-c2ccccc2)cc1 ZINC000003814717 210077042 /nfs/dbraw/zinc/07/70/42/210077042.db2.gz PXSMFQAFNQHLOO-UHFFFAOYSA-N 0 0 344.352 2.095 1 5 EEBFRN COc1cc2c(cc1OC)[C@H]1[C@H]3C(=CC[C@H]1OC2=O)CC[N+]3(C)[O-] ZINC000014583801 717110861 /nfs/dbraw/zinc/11/08/61/717110861.db2.gz LAEQLQRWNDLBBU-KNFXUPHZSA-N 0 0 331.368 2.373 1 5 EEBFRN C=CC(=O)N(C[C@@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1)C(C)C ZINC000028713211 202174854 /nfs/dbraw/zinc/17/48/54/202174854.db2.gz JRWDZZIMBYRKMB-AWEZNQCLSA-N 0 0 333.388 2.237 1 5 EEBFRN Nc1ccc([C@H](O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000098083316 203983770 /nfs/dbraw/zinc/98/37/70/203983770.db2.gz RGHAZUGJFZHQTG-ZAFLOJKISA-N 0 0 327.340 2.040 1 5 EEBFRN CCO[C@H]1Sc2nnc(CC)n2N=C1c1ccc([N+](=O)[O-])cc1 ZINC000103174231 204065209 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2.065 1 5 EEBFRN COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000013154745 211531201 /nfs/dbraw/zinc/53/12/01/211531201.db2.gz HFYNOSFWMNJZHB-OTSLLENHSA-N 0 0 340.335 2.161 1 5 EEBFRN O=C(Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000040566763 213352567 /nfs/dbraw/zinc/35/25/67/213352567.db2.gz CATRVRFKTRZKEE-UHFFFAOYSA-N 0 0 327.256 2.054 1 5 EEBFRN COc1cccc2c(=O)c3c(OC)c4c(c(OC)c3n(C)c12)OCO4 ZINC000095486024 290970234 /nfs/dbraw/zinc/97/02/34/290970234.db2.gz UZIYSNVECDPBDH-UHFFFAOYSA-N 0 0 343.335 2.446 1 5 biogenic,in-vitro EEBFRN O=c1ccccn1[C@@H]1c2cc([N+](=O)[O-])ccc2OC2(CCCC2)[C@H]1O ZINC000027556197 212564145 /nfs/dbraw/zinc/56/41/45/212564145.db2.gz HTOVWZABNUNADL-SJORKVTESA-N 0 0 342.351 2.412 1 5 EEBFRN NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCc2ccccc2C1 ZINC000073200342 216363428 /nfs/dbraw/zinc/36/34/28/216363428.db2.gz SYBUXMVEWMDGPT-UHFFFAOYSA-N 0 0 342.311 2.165 1 5 EEBFRN 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