smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN([C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000725270556 539215200 /nfs/dbraw/zinc/21/52/00/539215200.db2.gz BJMFCRFFVGXXBU-AWEZNQCLSA-N 0 1 275.352 2.220 10 5 CEBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000086762674 179325440 /nfs/dbraw/zinc/32/54/40/179325440.db2.gz BYOHTLOYAWOTPD-VIFPVBQESA-N 0 1 266.297 2.451 10 5 CEBEMN O=[N+]([O-])c1ccc(-c2csc([C@@H]3CNCCO3)n2)cc1 ZINC000091501173 180174514 /nfs/dbraw/zinc/17/45/14/180174514.db2.gz MUIRCNYIMKDYDL-LBPRGKRZSA-N 0 1 291.332 2.379 10 5 CEBEMN Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(CN)n1 ZINC000091993757 180300841 /nfs/dbraw/zinc/30/08/41/180300841.db2.gz AXPYHZIEHPVCEA-UHFFFAOYSA-N 0 1 273.292 2.336 10 5 CEBEMN C[C@H]1NC(=O)CC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000282262941 375441916 /nfs/dbraw/zinc/44/19/16/375441916.db2.gz HEJHOZQESJFMFO-LDYMZIIASA-N 0 1 297.742 2.005 10 5 CEBEMN C[C@H]1NC(=O)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000282469802 375492895 /nfs/dbraw/zinc/49/28/95/375492895.db2.gz UOXHXNRCGKWHKR-PRHODGIISA-N 0 1 297.742 2.005 10 5 CEBEMN Cc1cc([N+](=O)[O-])c(C)cc1Oc1cnc(C(=N)N)cn1 ZINC000071180507 176056415 /nfs/dbraw/zinc/05/64/15/176056415.db2.gz PGORUOPNWRZAQU-UHFFFAOYSA-N 0 1 287.279 2.078 10 5 CEBEMN O=[N+]([O-])c1cccc(OCc2n[nH]c([C@H]3CCCO3)n2)c1 ZINC000072236779 176345674 /nfs/dbraw/zinc/34/56/74/176345674.db2.gz JCVAYGYAVRWPTB-LLVKDONJSA-N 0 1 290.279 2.143 10 5 CEBEMN CCNc1ccc([N+](=O)[O-])cc1CN1CCN(CC)CC1 ZINC000050792127 520329695 /nfs/dbraw/zinc/32/96/95/520329695.db2.gz SZGBOLVRVUYAKZ-UHFFFAOYSA-N 0 1 292.383 2.164 10 5 CEBEMN CCN1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000336897711 365941057 /nfs/dbraw/zinc/94/10/57/365941057.db2.gz PKCCPFXZUQJHKX-VIFPVBQESA-N 0 1 253.277 2.240 10 5 CEBEMN CC[N@@H+](CC(=O)[O-])[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000086775130 179328137 /nfs/dbraw/zinc/32/81/37/179328137.db2.gz JKPBFDLFNQWIEO-SECBINFHSA-N 0 1 252.270 2.062 10 5 CEBEMN CCCOc1cc(N[C@H](C)c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000111049040 186347821 /nfs/dbraw/zinc/34/78/21/186347821.db2.gz RPQLQUVYKUVDNR-MRVPVSSYSA-N 0 1 292.299 2.070 10 5 CEBEMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000090359678 364054385 /nfs/dbraw/zinc/05/43/85/364054385.db2.gz ZXCICKXGLYFVBM-NOZJJQNGSA-N 0 1 295.295 2.160 10 5 CEBEMN C[C@H]1NC(=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000282469800 375492308 /nfs/dbraw/zinc/49/23/08/375492308.db2.gz UOXHXNRCGKWHKR-PELKAZGASA-N 0 1 297.742 2.005 10 5 CEBEMN CN(C)c1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000040608422 174353265 /nfs/dbraw/zinc/35/32/65/174353265.db2.gz YOFHZMQZUZESMU-UHFFFAOYSA-N 0 1 294.702 2.243 10 5 CEBEMN O=[N+]([O-])c1ccc(Cc2nnc(-c3ccncc3)[nH]2)cc1 ZINC000072236646 176345484 /nfs/dbraw/zinc/34/54/84/176345484.db2.gz JPMSDCSJTRXHKL-UHFFFAOYSA-N 0 1 281.275 2.366 10 5 CEBEMN O=[N+]([O-])c1cccc(OCc2nc(C3CC3)n[nH]2)c1 ZINC000072236776 176345509 /nfs/dbraw/zinc/34/55/09/176345509.db2.gz TZOZBTXGWZYXHZ-UHFFFAOYSA-N 0 1 260.253 2.169 10 5 CEBEMN O=[N+]([O-])c1cccc(OCc2n[nH]c(C3CC3)n2)c1 ZINC000072236776 176345510 /nfs/dbraw/zinc/34/55/10/176345510.db2.gz TZOZBTXGWZYXHZ-UHFFFAOYSA-N 0 1 260.253 2.169 10 5 CEBEMN COc1ccc([N+](=O)[O-])cc1-c1n[nH]c(-c2cccnc2)n1 ZINC000072237786 176346557 /nfs/dbraw/zinc/34/65/57/176346557.db2.gz AWNKRGBBHAVMBB-UHFFFAOYSA-N 0 1 297.274 2.451 10 5 CEBEMN CCN(CCOC)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050816673 521133919 /nfs/dbraw/zinc/13/39/19/521133919.db2.gz APCRYOVVIWMORA-UHFFFAOYSA-N 0 1 267.329 2.105 10 5 CEBEMN CCNCc1nnc(-c2cc(F)c(F)cc2[N+](=O)[O-])o1 ZINC000050615657 520023851 /nfs/dbraw/zinc/02/38/51/520023851.db2.gz YDWKJCYVMVFDBC-UHFFFAOYSA-N 0 1 284.222 2.033 10 5 CEBEMN CCCNc1ccc(CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000050792333 520157438 /nfs/dbraw/zinc/15/74/38/520157438.db2.gz ZWHMCGPXIQQFBB-UHFFFAOYSA-N 0 1 292.383 2.164 10 5 CEBEMN COCCNCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000062732096 523949713 /nfs/dbraw/zinc/94/97/13/523949713.db2.gz FPCXKDIZXYQEHB-UHFFFAOYSA-N 0 1 268.313 2.118 10 5 CEBEMN CC1CCC(Nc2nc(NN)ccc2[N+](=O)[O-])CC1 ZINC000097030925 185154673 /nfs/dbraw/zinc/15/46/73/185154673.db2.gz GGHUKXYKYWTLNW-UHFFFAOYSA-N 0 1 265.317 2.266 10 5 CEBEMN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCN3)no2)c(F)c1 ZINC000228560394 344560695 /nfs/dbraw/zinc/56/06/95/344560695.db2.gz FLCAHZXLVHGDBT-JTQLQIEISA-N 0 1 278.243 2.208 10 5 CEBEMN CCN1CCC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401151394 344866364 /nfs/dbraw/zinc/86/63/64/344866364.db2.gz FKJBBWWWCBBISA-SNVBAGLBSA-N 0 1 268.292 2.025 10 5 CEBEMN CC[N@@H+](CC(=O)[O-])[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000086775105 179327630 /nfs/dbraw/zinc/32/76/30/179327630.db2.gz JLPDJIYBAAPUKQ-SECBINFHSA-N 0 1 252.270 2.062 10 5 CEBEMN COc1ccc(OCc2cc(N)ccn2)c([N+](=O)[O-])c1 ZINC000092420015 180382216 /nfs/dbraw/zinc/38/22/16/180382216.db2.gz SYKJDSCOYTWYIN-UHFFFAOYSA-N 0 1 275.264 2.160 10 5 CEBEMN Cc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)o1 ZINC000090538015 364062096 /nfs/dbraw/zinc/06/20/96/364062096.db2.gz IVQJZTMRYNEKIK-SNVBAGLBSA-N 0 1 264.285 2.044 10 5 CEBEMN Cn1cc([C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000116317038 365049988 /nfs/dbraw/zinc/04/99/88/365049988.db2.gz FQDCQJCZRTWWSC-LBPRGKRZSA-N 0 1 286.335 2.318 10 5 CEBEMN O=[N+]([O-])c1ccc(Cl)nc1N[C@@H]1CN2CCC1CC2 ZINC000037331820 173133892 /nfs/dbraw/zinc/13/38/92/173133892.db2.gz FTPVPMXAUBOFBN-SECBINFHSA-N 0 1 282.731 2.149 10 5 CEBEMN CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC000061177055 521324991 /nfs/dbraw/zinc/32/49/91/521324991.db2.gz GBBXMYDNEJUCBM-UHFFFAOYSA-N 0 1 296.323 2.289 10 5 CEBEMN O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)ncc1Br ZINC000090747604 180035388 /nfs/dbraw/zinc/03/53/88/180035388.db2.gz OUUYBCMLYMXQJR-UHFFFAOYSA-N 0 1 296.080 2.108 10 5 CEBEMN C[C@H](NC[C@H](C)[S@](C)=O)c1ccccc1[N+](=O)[O-] ZINC000090841277 180043793 /nfs/dbraw/zinc/04/37/93/180043793.db2.gz XFRLEGKNSUFWLB-LXIMFEHMSA-N 0 1 270.354 2.012 10 5 CEBEMN CC(=O)c1c(O)cc([N+](=O)[O-])cc1Br ZINC000575691145 366330072 /nfs/dbraw/zinc/33/00/72/366330072.db2.gz IUUXKULQWMDZED-UHFFFAOYSA-N 0 1 260.043 2.266 10 5 CEBEMN O=[N+]([O-])c1cnc(N2CCC(c3ccn[nH]3)CC2)s1 ZINC000190323289 153127189 /nfs/dbraw/zinc/12/71/89/153127189.db2.gz JZZBSDDFTWXTKH-UHFFFAOYSA-N 0 1 279.325 2.158 10 5 CEBEMN CC[C@@H](C)N(CC)CC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000037336510 173137948 /nfs/dbraw/zinc/13/79/48/173137948.db2.gz ABXVIOFAGDTHEO-SECBINFHSA-N 0 1 253.302 2.226 10 5 CEBEMN COCCNCc1ccc([N+](=O)[O-])cc1Br ZINC000037460569 173224920 /nfs/dbraw/zinc/22/49/20/173224920.db2.gz OMMSGTQMBQLKNN-UHFFFAOYSA-N 0 1 289.129 2.093 10 5 CEBEMN CC(C)c1n[nH]c(COc2ccccc2[N+](=O)[O-])n1 ZINC000072237514 176346264 /nfs/dbraw/zinc/34/62/64/176346264.db2.gz QMKZODMMFVNEAR-UHFFFAOYSA-N 0 1 262.269 2.415 10 5 CEBEMN CC(C)c1nc(COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000072237514 176346265 /nfs/dbraw/zinc/34/62/65/176346265.db2.gz QMKZODMMFVNEAR-UHFFFAOYSA-N 0 1 262.269 2.415 10 5 CEBEMN CCOC(=O)C[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000050015732 520837647 /nfs/dbraw/zinc/83/76/47/520837647.db2.gz DWQISJMYUHRTIS-SNVBAGLBSA-N 0 1 266.297 2.026 10 5 CEBEMN O=[N+]([O-])c1ccccc1Cn1ccnc1CNC1CC1 ZINC000051015152 527402225 /nfs/dbraw/zinc/40/22/25/527402225.db2.gz LHZAVMFEDZVGOS-UHFFFAOYSA-N 0 1 272.308 2.092 10 5 CEBEMN O=[N+]([O-])c1cc(CN2CC[C@@H](CCO)C2)ccc1Cl ZINC000122168409 648141110 /nfs/dbraw/zinc/14/11/10/648141110.db2.gz KRGLNATZUMHPAC-JTQLQIEISA-N 0 1 284.743 2.453 10 5 CEBEMN O=[N+]([O-])c1ccc(CNC2CC(CO)C2)c(Cl)c1 ZINC000595001155 345724161 /nfs/dbraw/zinc/72/41/61/345724161.db2.gz RUDLWJYWGFAUNW-UHFFFAOYSA-N 0 1 270.716 2.109 10 5 CEBEMN Cc1ccc([C@H](C)[N@@H+](C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000086774850 179327421 /nfs/dbraw/zinc/32/74/21/179327421.db2.gz LHLAQBARFMSBHM-JTQLQIEISA-N 0 1 266.297 2.371 10 5 CEBEMN CN1CCC[C@@H](Nc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC000040716507 174383833 /nfs/dbraw/zinc/38/38/33/174383833.db2.gz ZKSWLNNNTLPBEZ-MRVPVSSYSA-N 0 1 270.720 2.149 10 5 CEBEMN CC[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](C)C(=O)[O-] ZINC000062727055 521164823 /nfs/dbraw/zinc/16/48/23/521164823.db2.gz MSHYVESSRHITRK-LLVKDONJSA-N 0 1 280.324 2.180 10 5 CEBEMN CN[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2F)o1 ZINC000050618575 522340966 /nfs/dbraw/zinc/34/09/66/522340966.db2.gz AHKFOZCLDWUEHH-LURJTMIESA-N 0 1 266.232 2.064 10 5 CEBEMN Cc1cccc([N+](=O)[O-])c1-c1nnc(CNC(C)C)o1 ZINC000050616069 524901277 /nfs/dbraw/zinc/90/12/77/524901277.db2.gz COKKBCZYNLVHQZ-UHFFFAOYSA-N 0 1 276.296 2.451 10 5 CEBEMN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1F ZINC000130985534 344355857 /nfs/dbraw/zinc/35/58/57/344355857.db2.gz VFCZQZVOELJYFE-VIFPVBQESA-N 0 1 296.277 2.420 10 5 CEBEMN CC(C)(O)CNCc1c(Cl)cccc1[N+](=O)[O-] ZINC000087018367 179381373 /nfs/dbraw/zinc/38/13/73/179381373.db2.gz CBLLGCGUXKCPPH-UHFFFAOYSA-N 0 1 258.705 2.109 10 5 CEBEMN Cc1ccc(OCc2cc(F)ccc2[N+](=O)[O-])c(CN)n1 ZINC000091993979 180300915 /nfs/dbraw/zinc/30/09/15/180300915.db2.gz HUMWSCKKHIZWKW-UHFFFAOYSA-N 0 1 291.282 2.475 10 5 CEBEMN Cc1ccc(OCc2cc(N)ccn2)c([N+](=O)[O-])c1 ZINC000092420544 180382197 /nfs/dbraw/zinc/38/21/97/180382197.db2.gz KOTQXZVVYQAOHO-UHFFFAOYSA-N 0 1 259.265 2.459 10 5 CEBEMN CC[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038024946 174009194 /nfs/dbraw/zinc/00/91/94/174009194.db2.gz ISNVHFFTTYCPQS-UHFFFAOYSA-N 0 1 270.260 2.031 10 5 CEBEMN CN(C)c1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] ZINC000040608646 174353399 /nfs/dbraw/zinc/35/33/99/174353399.db2.gz VQAQWLPQABFKCY-UHFFFAOYSA-N 0 1 294.702 2.243 10 5 CEBEMN CC[C@H](N)c1noc(-c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000041122639 174487414 /nfs/dbraw/zinc/48/74/14/174487414.db2.gz RKCBIKSFHCXSAX-QMMMGPOBSA-N 0 1 266.232 2.194 10 5 CEBEMN CC(C)n1c(CN)nnc1SCc1ccc([N+](=O)[O-])o1 ZINC000071374461 176140074 /nfs/dbraw/zinc/14/00/74/176140074.db2.gz VBBIGJRODCWOOM-UHFFFAOYSA-N 0 1 297.340 2.111 10 5 CEBEMN CCNCc1nnc(-c2cccc(C)c2[N+](=O)[O-])o1 ZINC000050615537 520025432 /nfs/dbraw/zinc/02/54/32/520025432.db2.gz AZNACFNHVJPAAR-UHFFFAOYSA-N 0 1 262.269 2.063 10 5 CEBEMN CCNCc1nnc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000050615661 520025240 /nfs/dbraw/zinc/02/52/40/520025240.db2.gz ONOBUNDUJPDTLA-UHFFFAOYSA-N 0 1 262.269 2.063 10 5 CEBEMN CCNc1ccc(CN2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000050817103 520301944 /nfs/dbraw/zinc/30/19/44/520301944.db2.gz KHMBSKAJQCSTAQ-CYBMUJFWSA-N 0 1 293.367 2.373 10 5 CEBEMN CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000061177629 521293398 /nfs/dbraw/zinc/29/33/98/521293398.db2.gz NVPPAEMVDRYHHD-UHFFFAOYSA-N 0 1 284.287 2.419 10 5 CEBEMN CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H](C)C(=O)[O-] ZINC000061219368 521296867 /nfs/dbraw/zinc/29/68/67/521296867.db2.gz HVIZLTDFHXLSRP-JTQLQIEISA-N 0 1 296.323 2.146 10 5 CEBEMN CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)C(=O)[O-] ZINC000061220586 521330514 /nfs/dbraw/zinc/33/05/14/521330514.db2.gz OXAHDRFFTLYDLW-SNVBAGLBSA-N 0 1 266.297 2.137 10 5 CEBEMN COC[C@@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083430966 642068675 /nfs/dbraw/zinc/06/86/75/642068675.db2.gz ASDPLEZEXZZDLG-MRVPVSSYSA-N 0 1 258.705 2.373 10 5 CEBEMN CC[C@](C)(O)CNCc1cc([N+](=O)[O-])c(F)cc1F ZINC000087012133 179379493 /nfs/dbraw/zinc/37/94/93/179379493.db2.gz IQKGJFAPNHXGLZ-LBPRGKRZSA-N 0 1 274.267 2.124 10 5 CEBEMN CC(C)(C)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000092449399 180387118 /nfs/dbraw/zinc/38/71/18/180387118.db2.gz YXHFBFRZHRYOJA-UHFFFAOYSA-N 0 1 266.297 2.280 10 5 CEBEMN CC(=O)N[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183266419 368617483 /nfs/dbraw/zinc/61/74/83/368617483.db2.gz WMNYLOZGVKWNFX-CQSZACIVSA-N 0 1 291.351 2.004 10 5 CEBEMN CC[C@](C)(N)c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000094223442 184765586 /nfs/dbraw/zinc/76/55/86/184765586.db2.gz FIKOFZLXTSVVHZ-LBPRGKRZSA-N 0 1 262.269 2.229 10 5 CEBEMN O=[N+]([O-])c1cc(CNC[C@H]2CCCO2)c(F)cc1F ZINC000037215376 173035339 /nfs/dbraw/zinc/03/53/39/173035339.db2.gz VQDSYHPXICEQOZ-SECBINFHSA-N 0 1 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O=[N+]([O-])c1ccc(CN2CC[C@H](CCO)C2)c(Cl)c1 ZINC000130327087 365944442 /nfs/dbraw/zinc/94/44/42/365944442.db2.gz PJUNDAVNYNJINX-SNVBAGLBSA-N 0 1 284.743 2.453 10 5 CEBEMN CC[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000086789417 179334215 /nfs/dbraw/zinc/33/42/15/179334215.db2.gz PTNHGVCYULUDGX-AAEUAGOBSA-N 0 1 278.308 2.452 10 5 CEBEMN CC(C)c1nn(C)c(N[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000091583959 180199538 /nfs/dbraw/zinc/19/95/38/180199538.db2.gz IDPXAFOAINAVNP-SNVBAGLBSA-N 0 1 293.371 2.100 10 5 CEBEMN O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1CCCOC1 ZINC000109547042 186261789 /nfs/dbraw/zinc/26/17/89/186261789.db2.gz GFLIMHUQKBBMTF-LLVKDONJSA-N 0 1 254.261 2.003 10 5 CEBEMN CCOC(=O)Cc1cc(Cl)c([N+](=O)[O-])cc1O ZINC000575700375 366334236 /nfs/dbraw/zinc/33/42/36/366334236.db2.gz JCSWMEONAKRUIX-UHFFFAOYSA-N 0 1 259.645 2.059 10 5 CEBEMN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000177017080 189021264 /nfs/dbraw/zinc/02/12/64/189021264.db2.gz 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263.066 2.327 10 5 CEBEMN CC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](CC)CC(=O)[O-] ZINC000086774987 179327920 /nfs/dbraw/zinc/32/79/20/179327920.db2.gz NFOBABGNVQHUJZ-LBPRGKRZSA-N 0 1 266.297 2.452 10 5 CEBEMN CC[C@@](C)(O)CNCc1cc([N+](=O)[O-])c(F)cc1F ZINC000087012134 179379168 /nfs/dbraw/zinc/37/91/68/179379168.db2.gz IQKGJFAPNHXGLZ-GFCCVEGCSA-N 0 1 274.267 2.124 10 5 CEBEMN C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000035735520 172387415 /nfs/dbraw/zinc/38/74/15/172387415.db2.gz QILZQRHCOQSXHE-ZANVPECISA-N 0 1 268.288 2.391 10 5 CEBEMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])o1 ZINC000038027739 174013932 /nfs/dbraw/zinc/01/39/32/174013932.db2.gz NADUQYXQOPNYIK-VIFPVBQESA-N 0 1 268.269 2.017 10 5 CEBEMN CC(C)CNCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000062743525 519748274 /nfs/dbraw/zinc/74/82/74/519748274.db2.gz MKSNTSPXKFCXEE-UHFFFAOYSA-N 0 1 276.296 2.390 10 5 CEBEMN CC[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C)CC(=O)[O-] ZINC000062727054 521165710 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O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])o1 ZINC000050925070 527596475 /nfs/dbraw/zinc/59/64/75/527596475.db2.gz INYMRFMIGSEOFT-JTQLQIEISA-N 0 1 282.296 2.407 10 5 CEBEMN O=C([O-])C[C@@H]1CCCC[N@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062727032 527627044 /nfs/dbraw/zinc/62/70/44/527627044.db2.gz YYPMKDNVYROOOG-ZDUSSCGKSA-N 0 1 292.335 2.467 10 5 CEBEMN