smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000006962554 344866386 /nfs/dbraw/zinc/86/63/86/344866386.db2.gz QOPWSWAYAVEWTN-MHWRWJLKSA-N 0 2 286.287 3.450 40 30 CGEBLN O/N=C(\c1ccc(Br)cc1)c1cccnc1 ZINC000100926474 370285505 /nfs/dbraw/zinc/28/55/05/370285505.db2.gz YLWYXBQTOOZIRJ-NTCAYCPXSA-N 0 2 277.121 3.071 40 30 CGEBLN COc1ccc([C@@H]2C/C(=N/O)c3ccccc3O2)cc1 ZINC000104393017 370343967 /nfs/dbraw/zinc/34/39/67/370343967.db2.gz KTYXFISMBDNKHD-GDGUIRGDSA-N 0 2 269.300 3.397 40 30 CGEBLN Cc1cc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)ccc1F ZINC000408905253 380022990 /nfs/dbraw/zinc/02/29/90/380022990.db2.gz VYDVNDCLXDQKBC-LZYBPNLTSA-N 0 2 274.251 3.499 40 30 CGEBLN COc1cc(/C=N/c2ccc(F)cc2)c(O)c([N+](=O)[O-])c1 ZINC000003024502 368489361 /nfs/dbraw/zinc/48/93/61/368489361.db2.gz MOZSBNLWZLLBDL-LZYBPNLTSA-N 0 2 290.250 3.199 40 30 CGEBLN O=S(=O)([O-])c1ccc(/[NH+]=C/C=C/c2ccccc2)cc1 ZINC000003033022 368489660 /nfs/dbraw/zinc/48/96/60/368489660.db2.gz WQBXAKYZHWNMLE-JAFAMXRVSA-N 0 2 287.340 3.349 40 30 CGEBLN CCCCCCCCCCCC[N@H+](CCO)CC(=O)[O-] ZINC000100934682 370285304 /nfs/dbraw/zinc/28/53/04/370285304.db2.gz PVADOOQKMYVERE-UHFFFAOYSA-N 0 2 287.444 3.286 40 30 CGEBLN CCCCCCCCCCCC[N@@H+](CCO)CC(=O)[O-] ZINC000100934682 370285312 /nfs/dbraw/zinc/28/53/12/370285312.db2.gz PVADOOQKMYVERE-UHFFFAOYSA-N 0 2 287.444 3.286 40 30 CGEBLN Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000102970852 230393007 /nfs/dbraw/zinc/39/30/07/230393007.db2.gz OUQNACXQKOHCMQ-LZYBPNLTSA-N 0 2 274.251 3.499 40 30 CGEBLN COc1cc(/C=N/c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000034753293 368978382 /nfs/dbraw/zinc/97/83/82/368978382.db2.gz FFRJBXFHUPAYIU-CXUHLZMHSA-N 0 2 286.287 3.368 40 30 CGEBLN CCCCCCCOc1ccc(C(=O)NCCCO)cc1 ZINC000100969244 370285436 /nfs/dbraw/zinc/28/54/36/370285436.db2.gz FZPMEUILJSHOQL-UHFFFAOYSA-N 0 2 293.407 3.148 40 30 CGEBLN COc1ccc(/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000408905336 380022300 /nfs/dbraw/zinc/02/23/00/380022300.db2.gz XLJQCEKGTSUGBJ-DHDCSXOGSA-N 0 2 272.260 3.060 40 30 CGEBLN O=[N+]([O-])c1cccc(/C=N/c2ccc(F)cc2F)c1O ZINC000409095689 380026727 /nfs/dbraw/zinc/02/67/27/380026727.db2.gz IHVZREBYJMCEDG-FRKPEAEDSA-N 0 2 278.214 3.329 40 30 CGEBLN O=C(/C=C/c1ccccn1)c1cc(Cl)ccc1O ZINC000004522506 169977198 /nfs/dbraw/zinc/97/71/98/169977198.db2.gz MSWBRYAQAGIBKO-FNORWQNLSA-N 0 2 259.692 3.337 40 30 CGEBLN CCCCCCCCCCN(CCO)C(=O)N(C)C ZINC000100934525 370285479 /nfs/dbraw/zinc/28/54/79/370285479.db2.gz NSRAFQAOQDGDDS-UHFFFAOYSA-N 0 2 272.433 3.103 40 30 CGEBLN O=[N+]([O-])c1cccc(/C=N\c2ccccc2F)c1O ZINC000222214067 393008750 /nfs/dbraw/zinc/00/87/50/393008750.db2.gz KOPNCNNKCRJBCR-NVNXTCNLSA-N 0 2 260.224 3.190 40 30 CGEBLN O=C(/C=C/c1ccncc1)c1cc(Cl)ccc1O ZINC000004821670 170023173 /nfs/dbraw/zinc/02/31/73/170023173.db2.gz OXGJWTBAFKSYOI-HNQUOIGGSA-N 0 2 259.692 3.337 40 30 CGEBLN CCOc1ccccc1/N=C\c1cccc([N+](=O)[O-])c1O ZINC000409104298 261136130 /nfs/dbraw/zinc/13/61/30/261136130.db2.gz HIUFYGMHIUJKAY-YBEGLDIGSA-N 0 2 286.287 3.450 40 30 CGEBLN CCCCCCCC(=O)C(=O)c1ccc(O)cc1O ZINC000001563304 368418217 /nfs/dbraw/zinc/41/82/17/368418217.db2.gz ONPWVVFMJWLDTN-UHFFFAOYSA-N 0 2 264.321 3.210 40 30 CGEBLN COc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000100354172 370277360 /nfs/dbraw/zinc/27/73/60/370277360.db2.gz UCPKDZRIVQBHHI-DHDCSXOGSA-N 0 2 272.260 3.060 40 30 CGEBLN Cc1ccccc1/N=C\c1ccc(O)c([N+](=O)[O-])c1 ZINC000408964246 380024830 /nfs/dbraw/zinc/02/48/30/380024830.db2.gz QCZKPISSBINXSS-DHDCSXOGSA-N 0 2 256.261 3.359 40 30 CGEBLN O=C(/C=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000035609900 172295173 /nfs/dbraw/zinc/29/51/73/172295173.db2.gz VOHOEOYMABZRNQ-SOFGYWHQSA-N 0 2 269.256 3.197 40 30 CGEBLN CCCCCCCOc1ccc(C(=O)NO)cc1 ZINC000100969251 370285444 /nfs/dbraw/zinc/28/54/44/370285444.db2.gz OIHSOOLLEYLMJD-UHFFFAOYSA-N 0 2 251.326 3.155 40 30 CGEBLN CCc1ccc(C(O)=CC(=O)c2cccnc2)cc1 ZINC000103712962 370333483 /nfs/dbraw/zinc/33/34/83/370333483.db2.gz IZJKOSDRSRRSKA-YBEGLDIGSA-N 0 2 253.301 3.426 40 30 CGEBLN Cc1cc(/N=C/c2cccc([N+](=O)[O-])c2O)ccc1F ZINC000409072475 380026432 /nfs/dbraw/zinc/02/64/32/380026432.db2.gz SCZALWKUZXXJSG-LZYBPNLTSA-N 0 2 274.251 3.499 40 30 CGEBLN COc1ccc([C@@H]2C/C(=N\O)c3ccccc3O2)cc1 ZINC000017327188 368731801 /nfs/dbraw/zinc/73/18/01/368731801.db2.gz KTYXFISMBDNKHD-WUVIJCSQSA-N 0 2 269.300 3.397 40 30 CGEBLN CN(C)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000106902408 345932985 /nfs/dbraw/zinc/93/29/85/345932985.db2.gz VNGWUFSXFGJRPZ-YBEGLDIGSA-N 0 2 285.303 3.117 40 30 CGEBLN N#CC(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000003845600 368521281 /nfs/dbraw/zinc/52/12/81/368521281.db2.gz IYERTBJQMSZVJK-UHFFFAOYSA-N 0 2 283.243 3.158 40 30 CGEBLN Cc1cccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000100286819 185710222 /nfs/dbraw/zinc/71/02/22/185710222.db2.gz KGFPPNIFUPOGGP-OQLLNIDSSA-N 0 2 256.261 3.359 40 30 CGEBLN N#C[C@H](c1ccc2ccccc2n1)c1ncccc1[N+](=O)[O-] ZINC000003847007 368521380 /nfs/dbraw/zinc/52/13/80/368521380.db2.gz FMALFRLZUQJVJC-GFCCVEGCSA-N 0 2 290.282 3.193 40 30 CGEBLN N#CC(c1ccc2ccccc2n1)c1ncccc1[N+](=O)[O-] ZINC000003847007 368521383 /nfs/dbraw/zinc/52/13/83/368521383.db2.gz FMALFRLZUQJVJC-GFCCVEGCSA-N 0 2 290.282 3.193 40 30 CGEBLN CCOc1ccccc1/N=C\c1ccc(O)c([N+](=O)[O-])c1 ZINC000408964817 380023897 /nfs/dbraw/zinc/02/38/97/380023897.db2.gz SMYRUISZMMRWGR-YBEGLDIGSA-N 0 2 286.287 3.450 40 30 CGEBLN O=C1c2cccc(F)c2N/C1=C1/Nc2c(cccc2F)C1=O ZINC000104252752 370341152 /nfs/dbraw/zinc/34/11/52/370341152.db2.gz SCXFUBHAVWENND-BUHFOSPRSA-N 0 2 298.248 3.093 40 30 CGEBLN O=C1c2cccc(F)c2N/C1=C1\Nc2c(cccc2F)C1=O ZINC000104252747 370341603 /nfs/dbraw/zinc/34/16/03/370341603.db2.gz SCXFUBHAVWENND-YPKPFQOOSA-N 0 2 298.248 3.093 40 30 CGEBLN CCSC(=O)N1c2ccc(OC)cc2C=C[C@H]1C#N ZINC000005024034 368559170 /nfs/dbraw/zinc/55/91/70/368559170.db2.gz RRBZCSKOQKCQJF-NSHDSACASA-N 0 2 274.345 3.294 40 30 CGEBLN CCSC(=O)N1c2ccc(OC)cc2C=CC1C#N ZINC000005024034 368559187 /nfs/dbraw/zinc/55/91/87/368559187.db2.gz RRBZCSKOQKCQJF-NSHDSACASA-N 0 2 274.345 3.294 40 30 CGEBLN Cc1[n-]n(-c2ccccc2)c(=O)c1C=[NH+]Nc1ccccc1 ZINC000100926490 370285517 /nfs/dbraw/zinc/28/55/17/370285517.db2.gz IJTQKMDZQMDSRZ-LDADJPATSA-N 0 2 292.342 3.332 40 30 CGEBLN COc1ccc2c(ccc3c2CCC(C=O)=C3O)c1 ZINC000104348277 295277797 /nfs/dbraw/zinc/27/77/97/295277797.db2.gz FWAIOFYCRRENLB-LUAWRHEFSA-N 0 2 254.285 3.419 40 30 CGEBLN N#Cc1c(O)c(Br)ccc1C(F)(F)F ZINC000258838173 567114556 /nfs/dbraw/zinc/11/45/56/567114556.db2.gz VQVOQPWKNBMMGL-UHFFFAOYSA-N 0 2 266.016 3.045 40 30 CGEBLN CCOc1ccc(C(O)=CC(=O)c2cccnc2)cc1 ZINC000103712981 185854966 /nfs/dbraw/zinc/85/49/66/185854966.db2.gz DCRGCBBYYKHULF-YBEGLDIGSA-N 0 2 269.300 3.262 40 30 CGEBLN O=[N+]([O-])c1cccc(/C=N/c2ccccc2F)c1O ZINC000012042923 368603355 /nfs/dbraw/zinc/60/33/55/368603355.db2.gz KOPNCNNKCRJBCR-OVCLIPMQSA-N 0 2 260.224 3.190 40 30 CGEBLN N=c1[nH]nc(-c2cccc(/N=C/c3ccc(O)cc3)c2)s1 ZINC000408718391 380021284 /nfs/dbraw/zinc/02/12/84/380021284.db2.gz WJSHZCLVWXKIQE-RQZCQDPDSA-N 0 2 296.355 3.074 40 30 CGEBLN O=[N+]([O-])c1cc(/C=N\c2ccccc2F)ccc1O ZINC000033896435 368969536 /nfs/dbraw/zinc/96/95/36/368969536.db2.gz WUKOLGVKWJFPAW-NVNXTCNLSA-N 0 2 260.224 3.190 40 30 CGEBLN CCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1C#N ZINC000225817054 189765162 /nfs/dbraw/zinc/76/51/62/189765162.db2.gz ZATWHTSZWUWJKC-MRXNPFEDSA-N 0 2 290.363 3.101 40 30 CGEBLN CC(=O)Nc1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000408964325 380024091 /nfs/dbraw/zinc/02/40/91/380024091.db2.gz QTUVYOUVUIKMPX-CXUHLZMHSA-N 0 2 299.286 3.009 40 30 CGEBLN Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000017024915 301484840 /nfs/dbraw/zinc/48/48/40/301484840.db2.gz HYUCVMBEWMZQEB-DHDCSXOGSA-N 0 2 256.261 3.359 40 30 CGEBLN Cc1ccccc1/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000004579258 302077393 /nfs/dbraw/zinc/07/73/93/302077393.db2.gz MNWNYDLYBIKUPW-DHDCSXOGSA-N 0 2 256.261 3.359 40 30 CGEBLN CN(C)c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000017424969 368733779 /nfs/dbraw/zinc/73/37/79/368733779.db2.gz OKSVVZUFNYVOMJ-MHWRWJLKSA-N 0 2 285.303 3.117 40 30 CGEBLN CCCCCCCCOCCOCCN(C)CCC#N ZINC000100933377 370285281 /nfs/dbraw/zinc/28/52/81/370285281.db2.gz MSLGERMCROMRRN-UHFFFAOYSA-N 0 2 284.444 3.226 40 30 CGEBLN O=[N+]([O-])c1cc(/C=N\c2ccc(Cl)cc2O)ccc1O ZINC000408961750 380024808 /nfs/dbraw/zinc/02/48/08/380024808.db2.gz DSPSZPVOXVMJMU-CHHVJCJISA-N 0 2 292.678 3.410 40 30 CGEBLN CC1=NN(c2ccccc2)C(=O)C1C=Nc1ccccn1 ZINC000003153240 368493659 /nfs/dbraw/zinc/49/36/59/368493659.db2.gz XISFMIOZQHQMNS-WOJGMQOQSA-N 0 2 278.315 3.032 40 30 CGEBLN CCn1c(=O)c(/C=N/C2CCCCC2)c(O)c2ccccc21 ZINC000100192925 370274169 /nfs/dbraw/zinc/27/41/69/370274169.db2.gz LYPODHVRMLYUAG-XDHOZWIPSA-N 0 2 298.386 3.479 40 30 CGEBLN CCCCCNN=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000006592115 528183442 /nfs/dbraw/zinc/18/34/42/528183442.db2.gz ITOLPNPYWMNLMV-LDADJPATSA-N 0 2 286.379 3.000 40 30 CGEBLN CCOc1cc(/C=N/c2ccccc2)cc([N+](=O)[O-])c1O ZINC000006959021 344866308 /nfs/dbraw/zinc/86/63/08/344866308.db2.gz VTQURSZXCRRPPJ-MHWRWJLKSA-N 0 2 286.287 3.450 40 30 CGEBLN Cc1cccc(/N=C\c2cccc([N+](=O)[O-])c2O)c1 ZINC000409091100 392973171 /nfs/dbraw/zinc/97/31/71/392973171.db2.gz TZDGUHYTDOLOPP-DHDCSXOGSA-N 0 2 256.261 3.359 40 30 CGEBLN CCCCCCCCOC(=O)c1[nH]cnc1N=NN(C)C ZINC000001662461 368427736 /nfs/dbraw/zinc/42/77/36/368427736.db2.gz LISRSHBZPVZYLB-ISLYRVAYSA-N 0 2 295.387 3.487 40 30 CGEBLN C/C(=N\C1CCCCC1)c1c(O)c2ccccc2n(C)c1=O ZINC000100362672 370277335 /nfs/dbraw/zinc/27/73/35/370277335.db2.gz YVLASXFNXRYJOH-XDHOZWIPSA-N 0 2 298.386 3.386 40 30 CGEBLN O=[N+]([O-])c1ccc(O)c(/N=C/c2cc(Cl)ccc2O)c1 ZINC000102414070 370304083 /nfs/dbraw/zinc/30/40/83/370304083.db2.gz KNCYJLJHOADZIW-VIZOYTHASA-N 0 2 292.678 3.410 40 30 CGEBLN Cc1cccc(/N=C\c2cc([N+](=O)[O-])ccc2O)c1 ZINC000004719274 170004970 /nfs/dbraw/zinc/00/49/70/170004970.db2.gz XPWPPCZIJFIZOU-DHDCSXOGSA-N 0 2 256.261 3.359 40 30 CGEBLN N#CCCN(CCC#N)Cc1cc(Cl)cc(Cl)c1O ZINC000031613484 368915236 /nfs/dbraw/zinc/91/52/36/368915236.db2.gz ABRIGLOZEOMJSM-UHFFFAOYSA-N 0 2 298.173 3.328 40 30 CGEBLN Cc1cc(/C=N\c2ccc(Cl)cn2)c(O)c([N+](=O)[O-])c1 ZINC000100116883 370273030 /nfs/dbraw/zinc/27/30/30/370273030.db2.gz YQRODGTURQUUFT-UUASQNMZSA-N 0 2 291.694 3.408 40 30 CGEBLN COc1ccc(C(=O)/C(=C/c2ccccc2)C(C)=O)c(O)c1 ZINC000004825661 170024530 /nfs/dbraw/zinc/02/45/30/170024530.db2.gz YXSXIZZNSCEPSH-MHWRWJLKSA-N 0 2 296.322 3.256 40 30 CGEBLN CC(=O)c1ccc(N=Cc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000111937282 527222043 /nfs/dbraw/zinc/22/20/43/527222043.db2.gz UDTDSONQURHEHA-CXUHLZMHSA-N 0 2 284.271 3.254 40 30 CGEBLN COc1cc(/C=N/c2cccc(C)c2)cc([N+](=O)[O-])c1O ZINC000003169183 368495371 /nfs/dbraw/zinc/49/53/71/368495371.db2.gz BEGJIRZESHHPKI-CXUHLZMHSA-N 0 2 286.287 3.368 40 30 CGEBLN CCc1nc2ccccc2n1[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2 ZINC000100966023 370285413 /nfs/dbraw/zinc/28/54/13/370285413.db2.gz WVEMASYBVFPFEH-KNBPBEEZSA-N 0 2 269.348 3.400 40 30 CGEBLN O=[N+]([O-])c1ccc(O)c(/C=N\c2ccc(Cl)cc2O)c1 ZINC000409095501 380026079 /nfs/dbraw/zinc/02/60/79/380026079.db2.gz IBMJTSHOGOCKKY-CHHVJCJISA-N 0 2 292.678 3.410 40 30 CGEBLN N#C[C@@H](c1ccc2ccccc2n1)c1ncccc1[N+](=O)[O-] ZINC000003847008 368521356 /nfs/dbraw/zinc/52/13/56/368521356.db2.gz FMALFRLZUQJVJC-LBPRGKRZSA-N 0 2 290.282 3.193 40 30 CGEBLN N#CC(c1ccc2ccccc2n1)c1ncccc1[N+](=O)[O-] ZINC000003847008 368521360 /nfs/dbraw/zinc/52/13/60/368521360.db2.gz FMALFRLZUQJVJC-LBPRGKRZSA-N 0 2 290.282 3.193 40 30 CGEBLN CCSC(=N)NN=Cc1cc(Cl)cc(Cl)c1O ZINC000053224757 369480377 /nfs/dbraw/zinc/48/03/77/369480377.db2.gz CNOHLZCKQDSUDQ-RZNTYIFUSA-N 0 2 292.191 3.101 40 30 CGEBLN CCOC(C)(C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000225814069 189765090 /nfs/dbraw/zinc/76/50/90/189765090.db2.gz VLCQJBCZODIHKA-UHFFFAOYSA-N 0 2 290.363 3.099 40 30 CGEBLN O=C(/C=C\c1ccncc1)c1cc(Cl)ccc1O ZINC000013152295 368645002 /nfs/dbraw/zinc/64/50/02/368645002.db2.gz OXGJWTBAFKSYOI-IWQZZHSRSA-N 0 2 259.692 3.337 40 30 CGEBLN CC(C)CN(CC(C)C)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000017001668 368725293 /nfs/dbraw/zinc/72/52/93/368725293.db2.gz YALRZEFRXNRKCO-PXNMLYILSA-N 0 2 293.367 3.248 40 30 CGEBLN O=C(C=C(O)c1ccccc1)C(O)=CC(=O)c1ccccc1 ZINC000095398223 370181994 /nfs/dbraw/zinc/18/19/94/370181994.db2.gz SJVNTAIFZNBHNX-NFLUSIDLSA-N 0 2 294.306 3.323 40 30 CGEBLN COc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000083262395 295063554 /nfs/dbraw/zinc/06/35/54/295063554.db2.gz FFIJBDXQAMJUKD-DHDCSXOGSA-N 0 2 272.260 3.060 40 30 CGEBLN O=C1c2ccccc2C(O)=C1c1cnc2ccccc2n1 ZINC000005647199 304721980 /nfs/dbraw/zinc/72/19/80/304721980.db2.gz WUFMPLCXHNQVRG-UHFFFAOYSA-N 0 2 274.279 3.252 40 30 CGEBLN O=C1C(=O)C(c2ccccc2)=C(O)c2ccccc21 ZINC000000355159 368347035 /nfs/dbraw/zinc/34/70/35/368347035.db2.gz KUKDVSFMDRAXML-UHFFFAOYSA-N 0 2 250.253 3.035 40 30 CGEBLN COc1cccc(/N=C/c2cccc([N+](=O)[O-])c2O)c1 ZINC000003084695 368490896 /nfs/dbraw/zinc/49/08/96/368490896.db2.gz KFDLCGICOSUZQG-OQLLNIDSSA-N 0 2 272.260 3.060 40 30 CGEBLN COc1ccc([C@H]2C/C(=N\O)c3ccccc3O2)cc1 ZINC000017003220 368725334 /nfs/dbraw/zinc/72/53/34/368725334.db2.gz KTYXFISMBDNKHD-WECAROLCSA-N 0 2 269.300 3.397 40 30 CGEBLN Cc1ccc(C(O)=CC(=O)c2cccnc2)cc1C ZINC000103712989 370333600 /nfs/dbraw/zinc/33/36/00/370333600.db2.gz KOQCWWJAYSSIOA-SXGWCWSVSA-N 0 2 253.301 3.480 40 30 CGEBLN CN(C)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 ZINC000006247465 170185492 /nfs/dbraw/zinc/18/54/92/170185492.db2.gz KRKNJFXGGNOVOG-MHWRWJLKSA-N 0 2 285.303 3.117 40 30 CGEBLN CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccco1 ZINC000004901504 368557935 /nfs/dbraw/zinc/55/79/35/368557935.db2.gz ZGDIYXOCNAPKFU-OAHLLOKOSA-N 0 2 297.310 3.077 40 30 CGEBLN COc1ccc(/C=N\c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000017425249 368733323 /nfs/dbraw/zinc/73/33/23/368733323.db2.gz HFYHMNDCZZTTCP-DHDCSXOGSA-N 0 2 272.260 3.060 40 30 CGEBLN Cc1ccc(C)c(/N=C/c2cc([N+](=O)[O-])ccc2O)n1 ZINC000019619187 368758154 /nfs/dbraw/zinc/75/81/54/368758154.db2.gz 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